smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3c(c2)S(=O)(=O)c2cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc2-3)c1 ZINC000001882886 1069731123 /nfs/dbraw/zinc/73/11/23/1069731123.db2.gz YMEPAXQXTSUOHX-DETDABPVSA-N 0 0 564.579 7.148 50 30 KKEARN COC(=O)C[C@@H](c1cccc(OCc2cccnc2)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524729653 1069825510 /nfs/dbraw/zinc/82/55/10/1069825510.db2.gz BZZUYPOCUSYNRD-SQNFJHRZSA-N 0 0 608.043 5.413 50 30 KKEARN CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C2=O)cc1 ZINC000524729572 1069827930 /nfs/dbraw/zinc/82/79/30/1069827930.db2.gz ZDHDPRUKLWTYBI-XAVTVXAQSA-N 0 0 517.581 6.841 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3[nH]c(-c4cccnc4)nc3c2)C[C@H]1C ZINC000524730510 1069831042 /nfs/dbraw/zinc/83/10/42/1069831042.db2.gz LJZTYACDXBOADE-SUMNFNSASA-N 0 0 530.968 5.214 50 30 KKEARN FC(F)(F)c1c(C(F)(F)C(F)(F)F)nc2ccccc2c1Nc1ccc(I)cc1 ZINC000002913479 1069842151 /nfs/dbraw/zinc/84/21/51/1069842151.db2.gz MTRDJXNFGIOIKE-UHFFFAOYSA-N 0 0 532.172 7.256 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000102999954 1070931948 /nfs/dbraw/zinc/93/19/48/1070931948.db2.gz WLKBILRAZKDMOT-LJQANCHMSA-N 0 0 583.375 8.379 50 30 KKEARN CCn1c2cc(-c3nc4ccccc4o3)ccc2[n+](-c2ccccc2)c1C=CC=C1N(CCCS(=O)(=O)[O-])c2cc(C#N)ccc2N1c1ccccc1 ZINC000685944282 1070940622 /nfs/dbraw/zinc/94/06/22/1070940622.db2.gz IGAHAFUSJJKIJF-UHFFFAOYSA-O 0 0 719.847 8.409 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 ZINC000103119830 1070966004 /nfs/dbraw/zinc/96/60/04/1070966004.db2.gz GDHPDRDCKNIOQU-PCLIKHOPSA-N 0 0 555.750 7.148 50 30 KKEARN O=S(=O)(/N=C(/c1ccccc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccccc1 ZINC000102940515 1070979420 /nfs/dbraw/zinc/97/94/20/1070979420.db2.gz IXFQKOWRQCIQMN-ZXPTYKNPSA-N 0 0 525.680 6.916 50 30 KKEARN O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000102942664 1070979874 /nfs/dbraw/zinc/97/98/74/1070979874.db2.gz DIOUZZSZHUXANU-YVLHZVERSA-N 0 0 536.494 6.483 50 30 KKEARN CCOc1ccc(C(=O)/C=C\C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 ZINC000102942612 1070979933 /nfs/dbraw/zinc/97/99/33/1070979933.db2.gz VNNVYMAOCXBJEC-NFNLRSNVSA-N 0 0 532.636 7.786 50 30 KKEARN CN(C)c1ccc2c(c1)C(=O)/C(=C1/N(C)c3ccccc3C1(C)C)[P@@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000102937795 1070976608 /nfs/dbraw/zinc/97/66/08/1070976608.db2.gz RZUWQROLVSGZHP-GMGCFJRESA-N 0 0 571.618 5.902 50 30 KKEARN O=S(=O)(/N=C(/N=C1C=CC(=N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C=C1)c1ccccc1)c1ccccc1 ZINC000102939787 1070977599 /nfs/dbraw/zinc/97/75/99/1070977599.db2.gz QDNNPLHULOHOSJ-WHTIISMUSA-N 0 0 592.702 5.666 50 30 KKEARN CN1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000102957735 1071053266 /nfs/dbraw/zinc/05/32/66/1071053266.db2.gz MWSCHFMASNFNOV-VDTYKYKFSA-N 0 0 573.700 7.374 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc(Br)c1O ZINC000102970838 1071058631 /nfs/dbraw/zinc/05/86/31/1071058631.db2.gz SXZQTZGACYKCGH-MKFXEVHTSA-N 0 0 524.205 5.860 50 30 KKEARN COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089229 1071058679 /nfs/dbraw/zinc/05/86/79/1071058679.db2.gz PNYRLXFNIDTOJZ-MBSOXWKSSA-N 0 0 663.119 5.995 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])cc1 ZINC000102965020 1071054474 /nfs/dbraw/zinc/05/44/74/1071054474.db2.gz HCVZFBVZSANFCP-SOFYXZRVSA-N 0 0 534.634 6.365 50 30 KKEARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\c1cc(-c2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000102964870 1071054544 /nfs/dbraw/zinc/05/45/44/1071054544.db2.gz WPGRLUVIDVQAEQ-NVNXTCNLSA-N 0 0 538.413 8.137 50 30 KKEARN COc1ccc(CCNC(=O)C[C@@H](c2cc3ccccc3[nH]c2=O)C2C(=O)C[C@@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000888088530 1071055646 /nfs/dbraw/zinc/05/56/46/1071055646.db2.gz DTGUFIHTLXUEAY-YIMSUDFKSA-N 0 0 687.145 5.887 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)C[C@@H]1C ZINC000888089819 1071061798 /nfs/dbraw/zinc/06/17/98/1071061798.db2.gz KFFCUMFKMZGPDW-PEGYKEAPSA-N 0 0 557.994 5.123 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)C[C@H]1C ZINC000888089818 1071061915 /nfs/dbraw/zinc/06/19/15/1071061915.db2.gz KFFCUMFKMZGPDW-MHTXLSKPSA-N 0 0 557.994 5.123 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000888090132 1071063608 /nfs/dbraw/zinc/06/36/08/1071063608.db2.gz DIKPVBJUMTYAKN-WJOKGBTCSA-N 0 0 541.736 8.276 50 30 KKEARN COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccc(OC)cc1)C1C(=O)C[C@@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090144 1071063747 /nfs/dbraw/zinc/06/37/47/1071063747.db2.gz FRLGGXQQXIFAEJ-JLTFNSIFSA-N 0 0 681.134 6.078 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cccc(OC)c3OCc3ccc(Cl)cc3Cl)nc(NCc3ccco3)n2)cc1 ZINC000106254425 1071066377 /nfs/dbraw/zinc/06/63/77/1071066377.db2.gz SWCBPHUBKAAVBH-MJXLXAJKSA-N 0 0 620.497 7.169 50 30 KKEARN COc1ccc(/C=N\c2ccc(-c3ccc(/N=C\c4ccc(OC)c([N+](=O)[O-])c4)c(C)c3)cc2C)cc1[N+](=O)[O-] ZINC000106446211 1071070686 /nfs/dbraw/zinc/07/06/86/1071070686.db2.gz XYRVPAQRBXLVRS-KUUUIRGPSA-N 0 0 538.560 7.305 50 30 KKEARN CC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000108365690 1071086086 /nfs/dbraw/zinc/08/60/86/1071086086.db2.gz GGCKWJWWUIPHEL-UHFFFAOYSA-N 0 0 520.501 7.157 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)C(F)(F)F)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000017652359 1071120946 /nfs/dbraw/zinc/12/09/46/1071120946.db2.gz SURRITGOIOIUCH-GVAUOCQISA-N 0 0 503.911 6.540 50 30 KKEARN CCCCCCCCCCCCCCCC[Si](Cc1cccc(F)c1)(Cc1cccc(F)c1)Cc1cccc(F)c1 ZINC000169817482 1071133095 /nfs/dbraw/zinc/13/30/95/1071133095.db2.gz ZIMOSWGYBYJXRC-UHFFFAOYSA-N 0 0 580.895 11.680 50 30 KKEARN O=C(/C=C\c1cc2c(cc1Br)OCO2)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000033386504 1071197051 /nfs/dbraw/zinc/19/70/51/1071197051.db2.gz KALMFZYZYYSXCK-TWGQIWQCSA-N 0 0 508.755 6.236 50 30 KKEARN COc1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000033481480 1071198464 /nfs/dbraw/zinc/19/84/64/1071198464.db2.gz WVIULADVWQZKRX-ZROIWOOFSA-N 0 0 500.433 5.869 50 30 KKEARN CCCCCC1=C(/C=C\c2ccc(Br)cc2)C/C(=C\c2ccc(Br)cc2)C1=O ZINC000033645853 1071200624 /nfs/dbraw/zinc/20/06/24/1071200624.db2.gz ZZKGQRPZNDQWGP-VMEKGHFNSA-N 0 0 500.274 8.158 50 30 KKEARN COc1cc(OC)cc(-c2cc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(C#N)c3nc4ccccc4n32)c1 ZINC000033760317 1071202093 /nfs/dbraw/zinc/20/20/93/1071202093.db2.gz NEOIWJVKMXJFCZ-CLFYSBASSA-N 0 0 510.937 6.775 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000239338810 1071217293 /nfs/dbraw/zinc/21/72/93/1071217293.db2.gz LGSLFLGFTDVEAZ-BCSOALRTSA-N 0 0 614.533 6.187 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000109103041 1071230271 /nfs/dbraw/zinc/23/02/71/1071230271.db2.gz TWVSMEQLFCYRLJ-CKUKBARFSA-N 0 0 570.460 6.678 50 30 KKEARN CC[C@H](C)[C@H](NC1=CC(=O)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000604404528 1071269932 /nfs/dbraw/zinc/26/99/32/1071269932.db2.gz OZNIRMSUVWFDIH-LVOYGYGNSA-N 0 0 524.017 5.417 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cc(-c3cc4ccccc4oc3=O)ccc2OC)C[C@H]1C ZINC000604405925 1071273297 /nfs/dbraw/zinc/27/32/97/1071273297.db2.gz UBLMHGHBWKWWIM-FTDQSSOUSA-N 0 0 588.012 6.058 50 30 KKEARN CCCCCCCCCCCCCCCCNC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000822844793 1071281336 /nfs/dbraw/zinc/28/13/36/1071281336.db2.gz VACBPTGYSJTIFG-MPYRZSJLSA-N 0 0 756.377 9.578 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1 ZINC000824739380 1071285948 /nfs/dbraw/zinc/28/59/48/1071285948.db2.gz CCQTZIPWHYDOLI-USRDKDBJSA-N 0 0 728.154 5.558 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]c(=O)n1C)[C@@H]2c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1 ZINC000824739450 1071286071 /nfs/dbraw/zinc/28/60/71/1071286071.db2.gz MIZRTUMTPCBLJH-UOSARGGVSA-N 0 0 742.181 5.156 50 30 KKEARN CCOC(=O)COc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000004520818 1071301072 /nfs/dbraw/zinc/30/10/72/1071301072.db2.gz GWINWILCPVGXIF-FDAWAROLSA-N 0 0 518.679 6.535 50 30 KKEARN FC(F)Sc1ccc(-c2ccc(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccc(Cl)cc4Cl)CC3)o2)cc1 ZINC000886013285 1071315148 /nfs/dbraw/zinc/31/51/48/1071315148.db2.gz SGKAWNJVJIEDDE-XUMLDULRSA-N 0 0 588.507 8.437 50 30 KKEARN CCn1c2ccccc2c2cc(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000886013272 1071315168 /nfs/dbraw/zinc/31/51/68/1071315168.db2.gz HWHKMOHIWJRCJE-XICOUPBLSA-N 0 0 533.632 6.591 50 30 KKEARN C(=NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1cn(-c2cccs2)nc1-c1ccccc1 ZINC000886012567 1071315231 /nfs/dbraw/zinc/31/52/31/1071315231.db2.gz KKCFZYFTALWJFB-UHFFFAOYSA-N 0 0 504.644 6.968 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000003366989 1071320211 /nfs/dbraw/zinc/32/02/11/1071320211.db2.gz BMUKFZIPJFRJPJ-YYYGAUAXSA-N 0 0 517.025 5.625 50 30 KKEARN Cc1cc(C=NN=C2NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(C)cc1C ZINC000886012550 1071315514 /nfs/dbraw/zinc/31/55/14/1071315514.db2.gz HGJKSDWYNOUANB-HSZRJFAPSA-N 0 0 512.651 6.190 50 30 KKEARN FC(F)(F)/C(=N\C1(C(F)(F)F)Oc2ccccc2O1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000003216783 1071318029 /nfs/dbraw/zinc/31/80/29/1071318029.db2.gz QKXSYMGOKPGHIR-JGRMKTMXSA-N 0 0 535.488 6.042 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C(\N=C2C=CC(=N/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3)C=C2)c2ccccc2)cc1 ZINC000102936217 1071321137 /nfs/dbraw/zinc/32/11/37/1071321137.db2.gz YDFMYUFOICJSPB-MEZSTGEFSA-N 0 0 620.756 6.283 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c4ccc(C)cc4)sc3C(C)(C)C2)cc1 ZINC000103134591 1071337592 /nfs/dbraw/zinc/33/75/92/1071337592.db2.gz SOYIMFJCDBFJMH-HJWRWDBZSA-N 0 0 633.792 5.955 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CC(C)C/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2=O)o1 ZINC000108678399 1071339892 /nfs/dbraw/zinc/33/98/92/1071339892.db2.gz KBPKKCNVUIGMIO-KUKFKUQFSA-N 0 0 580.688 8.661 50 30 KKEARN O=C1/C(=C/c2ccc(Br)cc2)CC(c2ccccc2)C/C1=C\c1ccc(Br)cc1 ZINC000012565982 1072822709 /nfs/dbraw/zinc/82/27/09/1072822709.db2.gz GDLYFTZHDXBHES-HOFJZWJUSA-N 0 0 508.253 7.825 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)Nc1ccccc1 ZINC000685945395 1072827483 /nfs/dbraw/zinc/82/74/83/1072827483.db2.gz JXWSKECFZJNVLB-DAOJJZDXSA-N 0 0 563.798 8.526 50 30 KKEARN C[C@@H]1CC[C@]2(C(=O)n3cnnc3)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)n5cncn5)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000685945434 1072827912 /nfs/dbraw/zinc/82/79/12/1072827912.db2.gz OQIQEMHSRUHFHY-GMBFPYIISA-N 0 0 616.807 6.400 50 30 KKEARN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C/C(=C/n5ccnc5C)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000685945501 1072828386 /nfs/dbraw/zinc/82/83/86/1072828386.db2.gz YGRPBXAYKDFYOB-ODBDLCSHSA-N 0 0 560.823 8.186 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)sc3C(C)(C)C2)cc1 ZINC000159467850 1072829465 /nfs/dbraw/zinc/82/94/65/1072829465.db2.gz MGQNWTBSDFYDAK-QXMHVHEDSA-N 0 0 681.836 7.417 50 30 KKEARN O=C1N/C(=N\N=Cc2cn(-c3ccccc3)nc2-c2ccccc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000245263976 1072830249 /nfs/dbraw/zinc/83/02/49/1072830249.db2.gz BURYFFRDICPOEP-QHCPKHFHSA-N 0 0 533.629 6.018 50 30 KKEARN CCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)NC1=O ZINC000245263605 1072830268 /nfs/dbraw/zinc/83/02/68/1072830268.db2.gz AZWKIKCNAJRYEE-HHHXNRCGSA-N 0 0 571.809 7.204 50 30 KKEARN Clc1ccc(/C=C2/CCC(C=NN3CCN(Cc4ccccc4Cl)CC3)=C2N2CCOCC2)cc1 ZINC000245283717 1072831255 /nfs/dbraw/zinc/83/12/55/1072831255.db2.gz OKAMUZXZDNGDNC-FFJUDUEESA-N 0 0 511.497 5.561 50 30 KKEARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)C=C2N(C)c3ccccc3C2(C)C)CCCC4)cc1 ZINC000096022172 1072833622 /nfs/dbraw/zinc/83/36/22/1072833622.db2.gz DCLWCQQBLDGDPP-ONUIUJJFSA-N 0 0 557.741 6.307 50 30 KKEARN CCCCCCCCCCCCCC[C@@H]1S/C(=N\N=Cc2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(OC)c2)NC1=O ZINC000252486804 1072834682 /nfs/dbraw/zinc/83/46/82/1072834682.db2.gz NSWGQGDFGUKFEA-LJAQVGFWSA-N 0 0 660.859 7.692 50 30 KKEARN O=[N+]([O-])c1ccc(/C=C2/CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254301283 1072845224 /nfs/dbraw/zinc/84/52/24/1072845224.db2.gz CAXNUAHVFOHLJR-HGFQEJOCSA-N 0 0 579.701 5.879 50 30 KKEARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(N=C2C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)c1 ZINC000254395862 1072852247 /nfs/dbraw/zinc/85/22/47/1072852247.db2.gz BCBGXTFJRWBPNN-LJAQVGFWSA-N 0 0 548.586 6.954 50 30 KKEARN COc1ccc2ccccc2c1CN=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254395974 1072852296 /nfs/dbraw/zinc/85/22/96/1072852296.db2.gz CCEOEIGYUDZXEY-UHFFFAOYSA-N 0 0 504.568 5.620 50 30 KKEARN COc1cc(C=NN2CC(c3ccccc3)=NC2=S)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254397023 1072852685 /nfs/dbraw/zinc/85/26/85/1072852685.db2.gz MXLNWZDFPADREH-UHFFFAOYSA-N 0 0 500.624 5.672 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc([N-][NH+]=Cc3sc(N4CCOCC4)nc3-c3ccccc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000254399965 1072852976 /nfs/dbraw/zinc/85/29/76/1072852976.db2.gz NNDJUJRSCFTTIT-UHFFFAOYSA-N 0 0 592.703 5.419 50 30 KKEARN COc1ccc(-c2csc(=Nc3ccc(F)cc3F)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000254486257 1072857694 /nfs/dbraw/zinc/85/76/94/1072857694.db2.gz YSSFNZBPNDJKLW-UHFFFAOYSA-N 0 0 557.622 7.206 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCc4cccc(C(F)(F)F)c4)c(OC)c3)C(=O)N2CCOC)cc1 ZINC000254487330 1072857735 /nfs/dbraw/zinc/85/77/35/1072857735.db2.gz CZFMHLCRMQTCQV-UIIDHQOJSA-N 0 0 570.633 7.106 50 30 KKEARN Cc1ccc(N=C2SC[C@H](C)N2C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c(C)c1 ZINC000254518692 1072861571 /nfs/dbraw/zinc/86/15/71/1072861571.db2.gz QXVVZRSWLZVOBH-NRFANRHFSA-N 0 0 509.741 6.357 50 30 KKEARN Cn1c2ccccc2c(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000254555598 1072863507 /nfs/dbraw/zinc/86/35/07/1072863507.db2.gz ADVVQNCAPHXHBL-UHFFFAOYSA-N 0 0 525.590 6.000 50 30 KKEARN COCCN=c1scc(-c2ccccc2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000254565696 1072864330 /nfs/dbraw/zinc/86/43/30/1072864330.db2.gz CJBRFVJHUTYUEY-UHFFFAOYSA-N 0 0 539.661 5.516 50 30 KKEARN O=C1COc2ccc(-c3csc(=Nc4ccc(F)cc4)n3N=Cc3cccc(Oc4ccccc4)c3)cc2N1 ZINC000254735539 1072873432 /nfs/dbraw/zinc/87/34/32/1072873432.db2.gz KMMWMFVPCXTSCA-UHFFFAOYSA-N 0 0 536.588 6.594 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000254734204 1072873525 /nfs/dbraw/zinc/87/35/25/1072873525.db2.gz FGGPUSWGFTULRS-ISRSPOIZSA-N 0 0 586.717 7.922 50 30 KKEARN O=C1C(=Cc2ccc(OC(F)F)cc2)SC(=NNC(=S)Nc2ccccc2)N1C1CCCCC1 ZINC000254739842 1072874531 /nfs/dbraw/zinc/87/45/31/1072874531.db2.gz DWWZXZCGFJIJOI-ITHCGDQRSA-N 0 0 502.612 5.795 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(OC(F)F)cc3)C(=O)N2[C@H](C)CCc2ccccc2)cc1 ZINC000254741096 1072874571 /nfs/dbraw/zinc/87/45/71/1072874571.db2.gz RGDHBGJIKYYLRO-QJYDHTOVSA-N 0 0 508.590 6.922 50 30 KKEARN O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000254749950 1072876243 /nfs/dbraw/zinc/87/62/43/1072876243.db2.gz YHFGAJQIAPJANB-UHFFFAOYSA-N 0 0 536.351 6.980 50 30 KKEARN O=S(=O)(c1ccc(N=Cc2cccc(C=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1)N1CCCCC1 ZINC000254752674 1072876509 /nfs/dbraw/zinc/87/65/09/1072876509.db2.gz NDLYMTXXXJRCLL-UHFFFAOYSA-N 0 0 578.760 5.537 50 30 KKEARN Cc1ccc(C(=O)N=C2c3ccccc3CN2c2ccc(N3CCCC3)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000254760328 1072877454 /nfs/dbraw/zinc/87/74/54/1072877454.db2.gz WWSKTQGVHAPLOK-UHFFFAOYSA-N 0 0 618.681 7.022 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1[N-][NH+]=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000254822869 1072881839 /nfs/dbraw/zinc/88/18/39/1072881839.db2.gz YNGXCVKEYNYRRP-UHFFFAOYSA-N 0 0 557.632 5.532 50 30 KKEARN Fc1ccc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000254898639 1072888751 /nfs/dbraw/zinc/88/87/51/1072888751.db2.gz WIXUKUAHAKMCMC-HHHXNRCGSA-N 0 0 563.658 6.917 50 30 KKEARN COc1ccc(OC)c(-c2csc(=Nc3cccc(C)c3C)n2N=C(C)c2ccc(N3CCOCC3)cc2)c1 ZINC000254877384 1072888941 /nfs/dbraw/zinc/88/89/41/1072888941.db2.gz JJOLYMMOVUMKSW-UHFFFAOYSA-N 0 0 542.705 6.192 50 30 KKEARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(NCc3ccc(C#CC(C)(C)O)cc3)cnc2n1CC(C)C ZINC000014743937 1072892045 /nfs/dbraw/zinc/89/20/45/1072892045.db2.gz LHDJBSXGYGJUAE-UHFFFAOYSA-N 0 0 528.609 5.059 50 30 KKEARN CC(C)(C)CC(C)(C)c1ccc(OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576179 1072901085 /nfs/dbraw/zinc/90/10/85/1072901085.db2.gz UVYLSTINGVQHHQ-MRXNPFEDSA-N 0 0 518.363 7.341 50 30 KKEARN O=C(N1CCCCC1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576199 1072901116 /nfs/dbraw/zinc/90/11/16/1072901116.db2.gz NAAVGJAQOMZPSW-IONNQARKSA-N 0 0 563.204 5.872 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H]2CC=C3CC[C@@H]([C@@H](OCOC)C(=O)[C@H]2C)C3(C)C)COC(C)(C)O1 ZINC001501069119 1072922829 /nfs/dbraw/zinc/92/28/29/1072922829.db2.gz BXHIVACEXVISNH-USHZIWGZSA-N 0 0 542.713 5.865 50 30 KKEARN COc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000000623256 193857015 /nfs/dbraw/zinc/85/70/15/193857015.db2.gz FAOLPGPRWBPOIT-XMMPIXPASA-N 0 0 586.280 6.153 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000000628544 193858558 /nfs/dbraw/zinc/85/85/58/193858558.db2.gz OPMSKRQUPMFLBM-UHFFFAOYSA-N 0 0 525.627 5.547 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000000648082 193864848 /nfs/dbraw/zinc/86/48/48/193864848.db2.gz IKNPPORRVJNXHZ-WTYVLRPYSA-N 0 0 522.041 6.205 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000648051 193864992 /nfs/dbraw/zinc/86/49/92/193864992.db2.gz VFRWEPMIVVAPAX-IQGLISFBSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650053 193868032 /nfs/dbraw/zinc/86/80/32/193868032.db2.gz OVAJSYMFHOUOGF-SMSORMJASA-N 0 0 563.647 5.199 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000650330 193868220 /nfs/dbraw/zinc/86/82/20/193868220.db2.gz MRAFLAQWPUQROE-WRONEBCDSA-N 0 0 533.621 5.265 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000651819 193869359 /nfs/dbraw/zinc/86/93/59/193869359.db2.gz OMZADOWJJZXNFY-NGQVCNFZSA-N 0 0 509.602 5.809 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000006197642 193870541 /nfs/dbraw/zinc/87/05/41/193870541.db2.gz VKWWBOPOKPOMRS-GMXDNTTCSA-N 0 0 503.639 5.970 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cc(Cl)ccc3C)c2C#N)cc1 ZINC000006245781 193877034 /nfs/dbraw/zinc/87/70/34/193877034.db2.gz BRMTZTPGUWGKIR-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCCc5cc6ccccc6[nH]5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533086 195476998 /nfs/dbraw/zinc/47/69/98/195476998.db2.gz AFMDVWTXOYCNIM-QJWLRZTQSA-N 0 0 529.725 6.367 50 30 KKEARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@](F)(Br)C(F)(F)[C@@](F)(Cl)Br ZINC000095676956 553707391 /nfs/dbraw/zinc/70/73/91/553707391.db2.gz QJQQQFAGKHFLNC-XRPSZYIASA-N 0 0 553.666 6.467 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000000628247 551504218 /nfs/dbraw/zinc/50/42/18/551504218.db2.gz OVNLQZJYMBIYPM-UHFFFAOYSA-N 0 0 533.650 6.485 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000000647378 551508321 /nfs/dbraw/zinc/50/83/21/551508321.db2.gz WAVOVESGULVBMK-LGGPFLRQSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000647892 551508861 /nfs/dbraw/zinc/50/88/61/551508861.db2.gz WAZPUEUUPMCZQK-WENCNXQZSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648476 551509963 /nfs/dbraw/zinc/50/99/63/551509963.db2.gz XEDLLLVBUUKNNG-CHJDUVSTSA-N 0 0 533.665 6.052 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000648509 551509986 /nfs/dbraw/zinc/50/99/86/551509986.db2.gz LCRWNKYCCJQNCD-WRONEBCDSA-N 0 0 535.637 5.282 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000000648761 551510098 /nfs/dbraw/zinc/51/00/98/551510098.db2.gz ZILZZZXTOXWLGP-DEOSSOPVSA-N 0 0 546.845 5.831 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2ccccc2Br)o1 ZINC000000648632 551510109 /nfs/dbraw/zinc/51/01/09/551510109.db2.gz UVHYKMOVZHRIMU-DEOSSOPVSA-N 0 0 514.416 5.788 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649030 551510468 /nfs/dbraw/zinc/51/04/68/551510468.db2.gz WWKGGGGURIWANS-WGDIFIGCSA-N 0 0 586.479 5.408 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649467 551511297 /nfs/dbraw/zinc/51/12/97/551511297.db2.gz CLISYCFXCUKRNB-VWLOTQADSA-N 0 0 515.528 5.824 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000000649677 551511358 /nfs/dbraw/zinc/51/13/58/551511358.db2.gz JFSQIPRICPAPOJ-WGDIFIGCSA-N 0 0 586.479 5.494 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650121 551511877 /nfs/dbraw/zinc/51/18/77/551511877.db2.gz INNNKGIFMKCAMI-JIYROHSKSA-N 0 0 589.685 5.875 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000000650199 551511883 /nfs/dbraw/zinc/51/18/83/551511883.db2.gz NNBCQVHVLQXNRT-QXNWPYRLSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000000650142 551511901 /nfs/dbraw/zinc/51/19/01/551511901.db2.gz JGEAEKLDCMYPBT-ONOMSOESSA-N 0 0 517.622 5.647 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000651813 551513006 /nfs/dbraw/zinc/51/30/06/551513006.db2.gz OMZADOWJJZXNFY-QABMSTFYSA-N 0 0 509.602 5.809 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000000659226 551515204 /nfs/dbraw/zinc/51/52/04/551515204.db2.gz ZJHCYXHTUPLJTJ-OYLFLEFRSA-N 0 0 544.829 5.756 50 30 KKEARN COc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)cc(OC)c1OC ZINC000000662304 551516167 /nfs/dbraw/zinc/51/61/67/551516167.db2.gz ZBJKBAZJJMVDLW-UHFFFAOYSA-N 0 0 517.632 6.105 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000000665718 551517132 /nfs/dbraw/zinc/51/71/32/551517132.db2.gz PLQOHOSCVBCWLE-UHFFFAOYSA-N 0 0 599.421 5.445 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000000665699 551517174 /nfs/dbraw/zinc/51/71/74/551517174.db2.gz DSLBSQULHSRFRM-UHFFFAOYSA-N 0 0 533.068 6.331 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000666875 551517570 /nfs/dbraw/zinc/51/75/70/551517570.db2.gz VORFRMQJWVHXOW-NGQVCNFZSA-N 0 0 509.602 5.548 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000666698 551517618 /nfs/dbraw/zinc/51/76/18/551517618.db2.gz FCBQWSRHPWFNCF-MUAVYFROSA-N 0 0 514.021 6.454 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000666696 551517621 /nfs/dbraw/zinc/51/76/21/551517621.db2.gz FCBQWSRHPWFNCF-BTYSJIOQSA-N 0 0 514.021 6.454 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@@H](c1cccs1)C[C@H]3C(F)(F)F)CCCC2 ZINC000000673922 551520347 /nfs/dbraw/zinc/52/03/47/551520347.db2.gz GCWCFRBZUOKZIG-DOMZBBRYSA-N 0 0 511.982 6.323 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@@H](c1cccs1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000000673924 551520356 /nfs/dbraw/zinc/52/03/56/551520356.db2.gz GCWCFRBZUOKZIG-IUODEOHRSA-N 0 0 511.982 6.323 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674116 551520850 /nfs/dbraw/zinc/52/08/50/551520850.db2.gz KINWNGNCMCOSKE-ONOMSOESSA-N 0 0 505.530 6.402 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000000674408 551521175 /nfs/dbraw/zinc/52/11/75/551521175.db2.gz XUHHBDMKAPSNPI-AKWBHNSASA-N 0 0 526.009 6.569 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000000678647 551522623 /nfs/dbraw/zinc/52/26/23/551522623.db2.gz NENBLLUQTAYDHB-NGOKVRLYSA-N 0 0 522.041 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/nfs/dbraw/zinc/53/07/66/551530766.db2.gz BCLDSGAKQICUID-JRPXNJEYSA-N 0 0 532.596 5.763 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000000703140 551530778 /nfs/dbraw/zinc/53/07/78/551530778.db2.gz HUXBVOQCBXCJJK-DEOSSOPVSA-N 0 0 512.543 5.930 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000000703130 551530783 /nfs/dbraw/zinc/53/07/83/551530783.db2.gz YQSRTHFTUCXNRW-SANMLTNESA-N 0 0 540.597 6.547 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000000703175 551530791 /nfs/dbraw/zinc/53/07/91/551530791.db2.gz BCLDSGAKQICUID-IIMAJNMQSA-N 0 0 532.596 5.763 50 30 KKEARN CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000000705852 551531300 /nfs/dbraw/zinc/53/13/00/551531300.db2.gz YKDVBPZAHPYSAC-UHFFFAOYSA-N 0 0 519.051 6.691 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708013 551532106 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C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000719615 551536090 /nfs/dbraw/zinc/53/60/90/551536090.db2.gz ZZFWDFXAQWCQKH-UHFFFAOYSA-N 0 0 505.543 5.962 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000719609 551536109 /nfs/dbraw/zinc/53/61/09/551536109.db2.gz YZNYYBOKESMXGH-UHFFFAOYSA-N 0 0 506.436 6.250 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000719614 551536113 /nfs/dbraw/zinc/53/61/13/551536113.db2.gz AZYGIRQKOVLURQ-UHFFFAOYSA-N 0 0 505.543 5.962 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3n2)cc1OC ZINC000000721060 551537752 /nfs/dbraw/zinc/53/77/52/551537752.db2.gz RSJMFGAIEZMMIO-UHFFFAOYSA-N 0 0 527.528 5.497 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Br)c1OC ZINC000000729427 551538980 /nfs/dbraw/zinc/53/89/80/551538980.db2.gz UAEXONXZJISCCR-DNOBIOAJSA-N 0 0 519.439 6.754 50 30 KKEARN COc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000000729402 551539093 /nfs/dbraw/zinc/53/90/93/551539093.db2.gz FQRDRSQGLOAOEA-JOCHJYFZSA-N 0 0 517.464 5.083 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1OC ZINC000000729529 551539340 /nfs/dbraw/zinc/53/93/40/551539340.db2.gz GWFQPXVRAYVOEK-SGANQWHYSA-N 0 0 525.468 6.897 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000000729503 551539448 /nfs/dbraw/zinc/53/94/48/551539448.db2.gz HYGLBOITTUWDHO-UULLZXFKSA-N 0 0 521.013 6.441 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1OC ZINC000000729531 551539481 /nfs/dbraw/zinc/53/94/81/551539481.db2.gz GWFQPXVRAYVOEK-ODCWNRFASA-N 0 0 525.468 6.897 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000797827 551543241 /nfs/dbraw/zinc/54/32/41/551543241.db2.gz KGWDHBQZBXUAAX-VWLOTQADSA-N 0 0 501.966 5.669 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000861040 551551043 /nfs/dbraw/zinc/55/10/43/551551043.db2.gz XONPCGYGGUGLMB-MMTVBGGISA-N 0 0 501.579 5.271 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000000861328 551551220 /nfs/dbraw/zinc/55/12/20/551551220.db2.gz KQOWMLIMJYONIQ-RXFWQSSRSA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(OC)c2OC)cc1 ZINC000000861378 551551262 /nfs/dbraw/zinc/55/12/62/551551262.db2.gz YUNIIDWXEBEALJ-ONOMSOESSA-N 0 0 531.649 5.950 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863393 551551875 /nfs/dbraw/zinc/55/18/75/551551875.db2.gz CRPOZTGDDBSCNZ-GKVSMKOHSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000863455 551551986 /nfs/dbraw/zinc/55/19/86/551551986.db2.gz DTPBUWPSMBVQCP-HFJWLAOPSA-N 0 0 530.448 6.324 50 30 KKEARN O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Br)cc2c1OCOC2 ZINC000000940986 551587840 /nfs/dbraw/zinc/58/78/40/551587840.db2.gz IBXMMFUMFDZWCY-DNQXCXABSA-N 0 0 501.760 5.871 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccc(F)cc1 ZINC000000949836 551588764 /nfs/dbraw/zinc/58/87/64/551588764.db2.gz GLRCXMCCJVHTOL-UHFFFAOYSA-N 0 0 500.024 5.702 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000949839 551588936 /nfs/dbraw/zinc/58/89/36/551588936.db2.gz XUSKYRIWWBHARM-UHFFFAOYSA-N 0 0 542.086 5.580 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000000997759 551595151 /nfs/dbraw/zinc/59/51/51/551595151.db2.gz KZEZSTFNORGPBD-SSEXGKCCSA-N 0 0 531.052 6.743 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000001027874 551597990 /nfs/dbraw/zinc/59/79/90/551597990.db2.gz NNBUKWYBJLNMMF-CMNXJCJSSA-N 0 0 512.543 5.478 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000001067404 551602153 /nfs/dbraw/zinc/60/21/53/551602153.db2.gz QNYCOARKEOLHSB-ROTAYESASA-N 0 0 552.652 6.964 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001074637 551603442 /nfs/dbraw/zinc/60/34/42/551603442.db2.gz GCRCDNFWGYGYHU-FNZWTVRRSA-N 0 0 500.576 5.761 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001074922 551604074 /nfs/dbraw/zinc/60/40/74/551604074.db2.gz SDWBMPBMTSEMQR-RBTNQOKQSA-N 0 0 544.629 6.078 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc(Br)c1O ZINC000001076925 551604330 /nfs/dbraw/zinc/60/43/30/551604330.db2.gz MWWFNOPWSLPRTG-LDLUVENISA-N 0 0 579.491 6.940 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000001077169 551604544 /nfs/dbraw/zinc/60/45/44/551604544.db2.gz DBWVSTYOIREKFY-CHAGWJKLSA-N 0 0 501.539 5.600 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001077266 551604565 /nfs/dbraw/zinc/60/45/65/551604565.db2.gz IWQDSHGMTYGVIG-OLRZCDJHSA-N 0 0 595.490 6.559 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001077269 551604574 /nfs/dbraw/zinc/60/45/74/551604574.db2.gz IWQDSHGMTYGVIG-DEXQXJORSA-N 0 0 595.490 6.559 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001077357 551604888 /nfs/dbraw/zinc/60/48/88/551604888.db2.gz JLANFYPDAWHHAF-YVORESIASA-N 0 0 537.012 6.060 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000001082082 551605882 /nfs/dbraw/zinc/60/58/82/551605882.db2.gz ZXNCQEVWDZYXPJ-DLLPINGYSA-N 0 0 523.629 6.199 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001082747 551606166 /nfs/dbraw/zinc/60/61/66/551606166.db2.gz AYQMENXVDLFJKG-OQRWROFFSA-N 0 0 551.437 6.160 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000001087526 551606620 /nfs/dbraw/zinc/60/66/20/551606620.db2.gz TVRHUWSWNHNJLE-ADSBAMQRSA-N 0 0 508.574 6.098 50 30 biogenic KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001151759 551619072 /nfs/dbraw/zinc/61/90/72/551619072.db2.gz ZQUSMECIBQVOEK-XHCCPWGMSA-N 0 0 502.567 5.451 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 ZINC000001155623 551619357 /nfs/dbraw/zinc/61/93/57/551619357.db2.gz CJWSDXHMYPVQSV-LYZGTLIUSA-N 0 0 515.606 5.329 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(CC(C)(C)CC2=O)N1 ZINC000001189202 551621714 /nfs/dbraw/zinc/62/17/14/551621714.db2.gz VUFUHKILPSQTCU-SANMLTNESA-N 0 0 518.009 5.836 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000001202332 551623881 /nfs/dbraw/zinc/62/38/81/551623881.db2.gz UITAWITTWBGPEA-VVFBEHOQSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000001202214 551623883 /nfs/dbraw/zinc/62/38/83/551623883.db2.gz LTHLSGJDYFDURR-RUZDIDTESA-N 0 0 554.437 5.534 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001204596 551624220 /nfs/dbraw/zinc/62/42/20/551624220.db2.gz FFFCOIFKBQTWQU-RNWIMVQKSA-N 0 0 524.573 5.708 50 30 KKEARN Cn1c(Oc2cccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001218916 551627441 /nfs/dbraw/zinc/62/74/41/551627441.db2.gz VNSBNIGRADCGRT-HHHXNRCGSA-N 0 0 561.642 5.226 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001239291 551630292 /nfs/dbraw/zinc/63/02/92/551630292.db2.gz SKYDUIRPIPWPIR-CCLHPLFOSA-N 0 0 550.533 5.945 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccccc5Br)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001238959 551630360 /nfs/dbraw/zinc/63/03/60/551630360.db2.gz WKZAZNQLVCMBGO-JOCHJYFZSA-N 0 0 561.436 5.739 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001261522 551633739 /nfs/dbraw/zinc/63/37/39/551633739.db2.gz JKUBBKLSTHOFOP-YUDQIZAISA-N 0 0 534.637 6.749 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1CN1CCN(c2ccccc2OC)CC1 ZINC000001276549 551635845 /nfs/dbraw/zinc/63/58/45/551635845.db2.gz PJNJPHVPJKIZEA-UHFFFAOYSA-N 0 0 584.757 6.426 50 30 KKEARN C[C@H](C(=O)Oc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000001279481 551636361 /nfs/dbraw/zinc/63/63/61/551636361.db2.gz DJXYBWQDRIAXEV-CLYVBNDRSA-N 0 0 572.617 5.214 50 30 KKEARN C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000001388374 551660712 /nfs/dbraw/zinc/66/07/12/551660712.db2.gz IHTUMKWMEYUEPX-UHFFFAOYSA-N 0 0 503.864 5.195 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001411050 551664716 /nfs/dbraw/zinc/66/47/16/551664716.db2.gz LPLRLNHWGRKYTG-HHHXNRCGSA-N 0 0 524.573 5.174 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)sc2C1 ZINC000001413036 551665195 /nfs/dbraw/zinc/66/51/95/551665195.db2.gz UUUNOJKUDFRZAB-GOSISDBHSA-N 0 0 514.694 5.355 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413413 551665419 /nfs/dbraw/zinc/66/54/19/551665419.db2.gz JGHISEUMWNCJNY-RUZDIDTESA-N 0 0 531.406 5.760 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413410 551665479 /nfs/dbraw/zinc/66/54/79/551665479.db2.gz JTYOIVKRUSKGEU-VWLOTQADSA-N 0 0 515.407 6.060 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1)c1ccc(Br)cc1 ZINC000001413439 551665737 /nfs/dbraw/zinc/66/57/37/551665737.db2.gz BTIOVILZAQQGLL-HSZRJFAPSA-N 0 0 502.368 5.146 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000001413437 551665769 /nfs/dbraw/zinc/66/57/69/551665769.db2.gz WFNCFARBRLRGPN-HSZRJFAPSA-N 0 0 502.368 5.146 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413453 551665813 /nfs/dbraw/zinc/66/58/13/551665813.db2.gz CRYVFABRJQAAKJ-AREMUKBSSA-N 0 0 500.526 5.145 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001414702 551666409 /nfs/dbraw/zinc/66/64/09/551666409.db2.gz GKYONOJYNXVHPC-RUZDIDTESA-N 0 0 515.407 6.060 50 30 KKEARN CCOc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c(Cl)cc2Cl)cc1OCC ZINC000001421119 551668406 /nfs/dbraw/zinc/66/84/06/551668406.db2.gz IJPLUYBTBKCIQG-UHFFFAOYSA-N 0 0 540.469 5.335 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001422870 551668805 /nfs/dbraw/zinc/66/88/05/551668805.db2.gz XXBRCQBGNVBHRO-HVETUWLQSA-N 0 0 562.515 6.549 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000001426913 551669437 /nfs/dbraw/zinc/66/94/37/551669437.db2.gz ZPVRLWVXRFPENY-QUGAMOGWSA-N 0 0 504.583 5.602 50 30 KKEARN COc1cc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001429727 551669711 /nfs/dbraw/zinc/66/97/11/551669711.db2.gz SROZFCAYWDOCNE-LJQANCHMSA-N 0 0 520.651 5.832 50 30 KKEARN COc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000001430158 551669953 /nfs/dbraw/zinc/66/99/53/551669953.db2.gz RNEFLBHOADPWOK-LJQANCHMSA-N 0 0 504.652 6.070 50 30 KKEARN COc1cc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001430152 551669968 /nfs/dbraw/zinc/66/99/68/551669968.db2.gz AUNCADNCHSEBGT-GOSISDBHSA-N 0 0 506.624 5.442 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCCC3)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000001429761 551669979 /nfs/dbraw/zinc/66/99/79/551669979.db2.gz ILSOCMKOAUVDKB-LJQANCHMSA-N 0 0 502.636 6.171 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000001431250 551670277 /nfs/dbraw/zinc/67/02/77/551670277.db2.gz PWTDAXFHAJKGCW-MMTVBGGISA-N 0 0 515.631 5.870 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000001434655 551670615 /nfs/dbraw/zinc/67/06/15/551670615.db2.gz AYZKKFSZMACBTB-RBISFHTESA-N 0 0 528.630 6.112 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001434710 551670626 /nfs/dbraw/zinc/67/06/26/551670626.db2.gz MEZHBYFCCZVRLA-RXAIFQJESA-N 0 0 581.463 6.169 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cccc(O)c2)cc1 ZINC000001434737 551670957 /nfs/dbraw/zinc/67/09/57/551670957.db2.gz KDNNIPZKTNDNEQ-CCLHPLFOSA-N 0 0 501.604 5.567 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(Br)c2)cc1OC ZINC000001434765 551670991 /nfs/dbraw/zinc/67/09/91/551670991.db2.gz OQFACLALZHJCAC-XBBWARJSSA-N 0 0 549.465 6.845 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2coc3ccc(Cl)cc3c2=O)c1 ZINC000001434797 551671169 /nfs/dbraw/zinc/67/11/69/551671169.db2.gz LALOPDQJFCNSKD-SLQAJWMNSA-N 0 0 560.046 6.302 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2coc3ccc(Cl)cc3c2=O)c1 ZINC000001434794 551671215 /nfs/dbraw/zinc/67/12/15/551671215.db2.gz LALOPDQJFCNSKD-SONOPUAISA-N 0 0 560.046 6.302 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001438591 551672270 /nfs/dbraw/zinc/67/22/70/551672270.db2.gz UERXGRMPPPNGCU-PPHZAIPVSA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000001438586 551672281 /nfs/dbraw/zinc/67/22/81/551672281.db2.gz LULFRYIMJSQNHU-HFJWLAOPSA-N 0 0 521.610 5.034 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000001440045 551672800 /nfs/dbraw/zinc/67/28/00/551672800.db2.gz PNHIVORHQSRYNG-XGCWNURASA-N 0 0 503.396 6.466 50 30 KKEARN CCOC(=O)C1=C(C)N=C2SC(C(=O)Nc3ccc(Cl)cc3)=CC(=O)N2[C@H]1Cc1cccc(OC)c1OC ZINC000001442113 551673300 /nfs/dbraw/zinc/67/33/00/551673300.db2.gz WDKDRQPLRDTEJR-IBGZPJMESA-N 0 0 556.040 5.223 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(=O)C[C@H]2c1ccccc1Cl ZINC000001444423 551673767 /nfs/dbraw/zinc/67/37/67/551673767.db2.gz YVVINSGNVKCPBS-SFHVURJKSA-N 0 0 510.084 6.648 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445845 551674055 /nfs/dbraw/zinc/67/40/55/551674055.db2.gz KTTUXHBOXPHYCW-KRWDZBQOSA-N 0 0 500.020 6.151 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001449132 551674571 /nfs/dbraw/zinc/67/45/71/551674571.db2.gz HTEJIGXICJCHCW-VWLOTQADSA-N 0 0 530.602 5.885 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001449476 551674823 /nfs/dbraw/zinc/67/48/23/551674823.db2.gz DBIIRGCEZFAHEL-DEOSSOPVSA-N 0 0 546.601 5.504 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001449902 551674867 /nfs/dbraw/zinc/67/48/67/551674867.db2.gz NBLSQIAUIQQOKY-RUZDIDTESA-N 0 0 546.601 5.504 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001450365 551675649 /nfs/dbraw/zinc/67/56/49/551675649.db2.gz NUQVUXMVTIIUQS-RUZDIDTESA-N 0 0 546.601 5.422 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460725 551677990 /nfs/dbraw/zinc/67/79/90/551677990.db2.gz SMSLGUXUJLFQIA-ICACTRECSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000001460742 551678022 /nfs/dbraw/zinc/67/80/22/551678022.db2.gz DFUXZGWAKWMXHH-DFXYEROKSA-N 0 0 540.616 5.418 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460753 551678187 /nfs/dbraw/zinc/67/81/87/551678187.db2.gz DDWIKRVPFUKKLS-JIYROHSKSA-N 0 0 552.671 6.411 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460772 551678224 /nfs/dbraw/zinc/67/82/24/551678224.db2.gz HBHFCZRTFPKXQQ-UDNBHOFDSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2coc3ccccc3c2=O)cc1 ZINC000001460749 551678227 /nfs/dbraw/zinc/67/82/27/551678227.db2.gz CCKPUABLVXWSAB-XFSFLGPDSA-N 0 0 592.648 5.819 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460781 551678562 /nfs/dbraw/zinc/67/85/62/551678562.db2.gz UAZVHYCTMQAWEM-JIYROHSKSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001460806 551678593 /nfs/dbraw/zinc/67/85/93/551678593.db2.gz OQKDXTVNJAMENF-JCOAXYOVSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2F)cc1 ZINC000001460829 551678726 /nfs/dbraw/zinc/67/87/26/551678726.db2.gz UBKOFWFITLNTNA-KEEVHDRGSA-N 0 0 542.607 5.852 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461022 551679150 /nfs/dbraw/zinc/67/91/50/551679150.db2.gz GDJWKCSYGLFLRU-GPNASLBKSA-N 0 0 552.671 6.275 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001461039 551679166 /nfs/dbraw/zinc/67/91/66/551679166.db2.gz IYIWESNIDAWOCX-HEIROHQZSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000001461035 551679174 /nfs/dbraw/zinc/67/91/74/551679174.db2.gz DFMSLPVAIIUQKG-UKPGIYTDSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)c(O)c2)cc1 ZINC000001461032 551679222 /nfs/dbraw/zinc/67/92/22/551679222.db2.gz ITQPCVJUGURINT-JCOAXYOVSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(O)c2)cc1 ZINC000001461089 551679501 /nfs/dbraw/zinc/67/95/01/551679501.db2.gz RTYGDAVITRRDKH-URAOTHONSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(O)c2)cc1 ZINC000001461088 551679509 /nfs/dbraw/zinc/67/95/09/551679509.db2.gz RTYGDAVITRRDKH-DFXYEROKSA-N 0 0 540.616 5.418 50 30 KKEARN C=C1[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000001462565 551679674 /nfs/dbraw/zinc/67/96/74/551679674.db2.gz RZZPJHJCDHSZFS-LOYHVIPDSA-N 0 0 504.586 6.224 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccc(OC)c(OC)c3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000001465354 551679961 /nfs/dbraw/zinc/67/99/61/551679961.db2.gz SUQRSWWIVXCUKM-UHFFFAOYSA-N 0 0 563.745 5.786 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480647 551681811 /nfs/dbraw/zinc/68/18/11/551681811.db2.gz KJMVJJARQARTPL-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480831 551681849 /nfs/dbraw/zinc/68/18/49/551681849.db2.gz PAPSCMMXNDUQRQ-RUZDIDTESA-N 0 0 530.602 5.804 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001480650 551681980 /nfs/dbraw/zinc/68/19/80/551681980.db2.gz UPOMRMXERLLORY-XMMPIXPASA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480881 551682187 /nfs/dbraw/zinc/68/21/87/551682187.db2.gz DCPGPPQUYHMSAO-RUZDIDTESA-N 0 0 546.601 5.504 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482294 551682662 /nfs/dbraw/zinc/68/26/62/551682662.db2.gz ADLCVEBPCULLPK-DEOSSOPVSA-N 0 0 530.602 5.722 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000001746470 551692194 /nfs/dbraw/zinc/69/21/94/551692194.db2.gz OKRUJQWFMZCOBC-UHFFFAOYSA-N 0 0 502.448 6.349 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000001767795 551695498 /nfs/dbraw/zinc/69/54/98/551695498.db2.gz ASWAUTMRDCRZPU-QUPMIFSKSA-N 0 0 516.841 7.001 50 30 KKEARN O=C(Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000001790261 551701458 /nfs/dbraw/zinc/70/14/58/551701458.db2.gz KWWWIGNDKKTEFJ-RWPZCVJISA-N 0 0 519.351 6.952 50 30 KKEARN CC(C)(C)[C@@H]1CCc2nc(SCC(=O)c3ccc(Br)cc3)c(C#N)c(-c3cccs3)c2C1 ZINC000001802138 551703769 /nfs/dbraw/zinc/70/37/69/551703769.db2.gz VAMFFXIUZRYRGA-QGZVFWFLSA-N 0 0 525.537 7.570 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001809071 551705242 /nfs/dbraw/zinc/70/52/42/551705242.db2.gz RSFZXGGSGBOHOK-JOCHJYFZSA-N 0 0 580.934 5.628 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccccc1 ZINC000001811287 551706277 /nfs/dbraw/zinc/70/62/77/551706277.db2.gz OHFNOCUBFKLHNZ-UHFFFAOYSA-N 0 0 515.586 5.928 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccccc1Br ZINC000001811306 551706521 /nfs/dbraw/zinc/70/65/21/551706521.db2.gz GMABGAXSSOHRQP-UHFFFAOYSA-N 0 0 560.930 6.325 50 30 KKEARN COc1ccccc1-n1c(=O)c2c(nc1N/N=C/c1ccc(Br)cc1)-c1ccccc1CC21CCCCC1 ZINC000001814026 551706945 /nfs/dbraw/zinc/70/69/45/551706945.db2.gz APBPLAWCBKIJOM-FMFFXOCNSA-N 0 0 569.503 6.875 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)c2ccc(Br)cc2)c1C#N ZINC000001814240 551707199 /nfs/dbraw/zinc/70/71/99/551707199.db2.gz ZXYMQVIGYALKSX-UHFFFAOYSA-N 0 0 515.432 7.033 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000001815538 551707539 /nfs/dbraw/zinc/70/75/39/551707539.db2.gz OMPUHYJMAKEUAU-CCVNUDIWSA-N 0 0 562.500 7.038 50 30 KKEARN Cc1nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 ZINC000001827680 551710605 /nfs/dbraw/zinc/71/06/05/551710605.db2.gz QDVLEWORHWFJHM-UHFFFAOYSA-N 0 0 591.918 7.328 50 30 KKEARN O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N=NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000001835506 551712336 /nfs/dbraw/zinc/71/23/36/551712336.db2.gz SLYNRDKISZFOCQ-GZIVZEMBSA-N 0 0 550.188 5.796 50 30 KKEARN C=CCn1c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)nnc1-c1ccccc1Br ZINC000001838852 551713335 /nfs/dbraw/zinc/71/33/35/551713335.db2.gz NVWLMACLAXPVCT-UHFFFAOYSA-N 0 0 584.326 7.860 50 30 KKEARN CN(C)c1cccc2c1C(=O)C=CC21[C@H](c2ccccc2)c2ccc(N(C)C)c3c2c(ccc3N(C)C)[C@H]1c1ccccc1 ZINC000001867752 551718384 /nfs/dbraw/zinc/71/83/84/551718384.db2.gz WIJROHVCZXZVRL-LJEWAXOPSA-N 0 0 577.772 8.006 50 30 KKEARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)C3=C(CC(C)(C)CC3=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001872414 551720093 /nfs/dbraw/zinc/72/00/93/551720093.db2.gz UATAESCCGQURSG-UHFFFAOYSA-N 0 0 584.557 6.524 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(CC)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000001876588 551722673 /nfs/dbraw/zinc/72/26/73/551722673.db2.gz CKCCUXABDASEMZ-UHFFFAOYSA-N 0 0 550.684 6.873 50 30 KKEARN COc1cccc(CN2C(=O)[C@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000001877565 551723154 /nfs/dbraw/zinc/72/31/54/551723154.db2.gz SSIHMWWVSUBFSM-LJAQVGFWSA-N 0 0 574.596 5.208 50 30 KKEARN C=CCNC(=S)c1c(-c2ccc(Br)cc2)c2c3n1cc(-c1ccc(Br)cc1)n3CCCC2 ZINC000001880373 551724028 /nfs/dbraw/zinc/72/40/28/551724028.db2.gz JYCIHQPWEJSMFG-UHFFFAOYSA-N 0 0 569.366 7.387 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001882203 551724387 /nfs/dbraw/zinc/72/43/87/551724387.db2.gz BXWAYIOYWLUVCI-FBVYBBNNSA-N 0 0 535.684 7.381 50 30 KKEARN COc1ccccc1NC(=O)c1c(C)nc(S[C@@H](C(N)=O)c2ccccc2)c(C#N)c1-c1ccc(OC)c(OC)c1 ZINC000001884044 551724878 /nfs/dbraw/zinc/72/48/78/551724878.db2.gz WFCSQPHRLUOHEY-MUUNZHRXSA-N 0 0 568.655 5.526 50 30 KKEARN CCCCOP(=O)(OCCCC)[C@@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000001891299 551726478 /nfs/dbraw/zinc/72/64/78/551726478.db2.gz QGCMPRJGYVIUER-DEOSSOPVSA-N 0 0 570.442 6.120 50 30 KKEARN Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)c(C#N)c(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 ZINC000001892600 551726688 /nfs/dbraw/zinc/72/66/88/551726688.db2.gz BHUIMGXFMOUVDB-UHFFFAOYSA-N 0 0 563.082 7.718 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000001895203 551727326 /nfs/dbraw/zinc/72/73/26/551727326.db2.gz HGTBJTQLGDBRJA-UHFFFAOYSA-N 0 0 537.663 5.416 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3scc(-c4ccccc4)c3c(=O)n1-c1ccccc1)CCCCC2 ZINC000001895951 551727735 /nfs/dbraw/zinc/72/77/35/551727735.db2.gz KGYSSPWQIFGRPI-UHFFFAOYSA-N 0 0 568.749 7.047 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccccc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001897647 551728951 /nfs/dbraw/zinc/72/89/51/551728951.db2.gz BAEONIFEOFVZAV-FASBHPNXSA-N 0 0 574.037 5.513 50 30 KKEARN CC(=O)/C(=N/Nc1ccccc1Cl)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000001899172 551729825 /nfs/dbraw/zinc/72/98/25/551729825.db2.gz UADJNXRYAYIXTL-BNIPGBBVSA-N 0 0 560.123 7.654 50 30 KKEARN Fc1nc(OCCC#Cc2ccccc2)c2c(c1Cl)Oc1cc(Br)c(Br)cc1O2 ZINC000001902115 551731493 /nfs/dbraw/zinc/73/14/93/551731493.db2.gz GITPSSIFBHKTFH-UHFFFAOYSA-N 0 0 539.582 7.118 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(OC)cc1 ZINC000001906537 551732253 /nfs/dbraw/zinc/73/22/53/551732253.db2.gz IVBAZGGQINFJSZ-UHFFFAOYSA-N 0 0 545.612 5.937 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000001906597 551732307 /nfs/dbraw/zinc/73/23/07/551732307.db2.gz SIJIOWJJOGRBJV-UHFFFAOYSA-N 0 0 530.506 6.140 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001906718 551732480 /nfs/dbraw/zinc/73/24/80/551732480.db2.gz PLUAOSASNIXDEX-UHFFFAOYSA-N 0 0 546.505 6.128 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000001906685 551732499 /nfs/dbraw/zinc/73/24/99/551732499.db2.gz QYHPWWVDOZEUIC-UHFFFAOYSA-N 0 0 560.532 6.436 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000001955137 551735784 /nfs/dbraw/zinc/73/57/84/551735784.db2.gz MRHFQNGMXQDWLL-KBKYJPHKSA-N 0 0 534.179 7.014 50 30 KKEARN O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1Cl)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001958164 551736060 /nfs/dbraw/zinc/73/60/60/551736060.db2.gz CIWHMIOLPABWCI-AZIVOEQISA-N 0 0 575.710 9.707 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000001957999 551736077 /nfs/dbraw/zinc/73/60/77/551736077.db2.gz IRTVQXSHAKVIAT-XUIWWLCJSA-N 0 0 514.519 5.837 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000002026073 551736429 /nfs/dbraw/zinc/73/64/29/551736429.db2.gz RFCLQVBUSCFZLL-YUYWZBKDSA-N 0 0 517.625 7.815 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000002026956 551736607 /nfs/dbraw/zinc/73/66/07/551736607.db2.gz RCELUPAYUOMCSP-JWGURIENSA-N 0 0 503.380 6.375 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002030044 551736836 /nfs/dbraw/zinc/73/68/36/551736836.db2.gz XKEMUEYVDIOLCB-OSPAZUARSA-N 0 0 516.685 8.152 50 30 KKEARN N#C[C@@]1(CCCC2CCC3(CC2)C(=O)NCN3c2ccccc2)Cc2ccccc2Sc2ccccc21 ZINC000002049842 551738057 /nfs/dbraw/zinc/73/80/57/551738057.db2.gz JLFGYDULKOUBGK-JVKOYPPFSA-N 0 0 507.703 6.848 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1O ZINC000002053063 551738968 /nfs/dbraw/zinc/73/89/68/551738968.db2.gz WTANDVVHYKKZFK-RPPGKUMJSA-N 0 0 552.650 6.972 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000002055235 551739643 /nfs/dbraw/zinc/73/96/43/551739643.db2.gz PFKHZLWKPXNETG-SSEXGKCCSA-N 0 0 529.677 6.754 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2I)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002059512 551741417 /nfs/dbraw/zinc/74/14/17/551741417.db2.gz PCFLIUUCRAFJLH-DFHRPNOPSA-N 0 0 575.446 6.396 50 30 KKEARN C=C(C)COc1c(I)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC ZINC000002061027 551742588 /nfs/dbraw/zinc/74/25/88/551742588.db2.gz KJAMKRDGTMIFQP-ZDLGFXPLSA-N 0 0 507.299 5.128 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000002061240 551742710 /nfs/dbraw/zinc/74/27/10/551742710.db2.gz RWLKANWKVYGUMQ-SSEXGKCCSA-N 0 0 543.997 8.300 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1 ZINC000002062486 551743492 /nfs/dbraw/zinc/74/34/92/551743492.db2.gz ILVNRGXCMXOAAW-MGBGTMOVSA-N 0 0 503.642 8.045 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000002062914 551743808 /nfs/dbraw/zinc/74/38/08/551743808.db2.gz USZSTMXQWKKSJG-UHFFFAOYSA-N 0 0 545.290 8.398 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063174 551744149 /nfs/dbraw/zinc/74/41/49/551744149.db2.gz XBGKLUMHCOBGHG-XYFQYJLHSA-N 0 0 521.657 6.826 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(I)c1 ZINC000002066376 551745209 /nfs/dbraw/zinc/74/52/09/551745209.db2.gz ZBSMHFCFSMTDBI-OAQYLSRUSA-N 0 0 507.412 5.629 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(I)c1 ZINC000002066375 551745242 /nfs/dbraw/zinc/74/52/42/551745242.db2.gz ZBSMHFCFSMTDBI-NRFANRHFSA-N 0 0 507.412 5.629 50 30 KKEARN CC(=O)Nc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(NC(C)=O)cc4)c(F)c3F)c(F)c2F)cc1 ZINC000002066660 551745536 /nfs/dbraw/zinc/74/55/36/551745536.db2.gz PMHXICHSYPSXLU-UHFFFAOYSA-N 0 0 596.430 7.968 50 30 KKEARN CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000002068338 551746257 /nfs/dbraw/zinc/74/62/57/551746257.db2.gz MLAZMBJSBMTWAC-LYBMHKGZSA-N 0 0 521.657 7.129 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000002071759 551747573 /nfs/dbraw/zinc/74/75/73/551747573.db2.gz ZXPXDCXVRXMGFJ-KKMKTNMSSA-N 0 0 544.243 7.492 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002072843 551747837 /nfs/dbraw/zinc/74/78/37/551747837.db2.gz YUTOARRBIOAMEZ-PPHZAIPVSA-N 0 0 521.610 5.036 50 30 KKEARN Cc1ccc(C)c(/N=C2\S/C(=C\c3cc(O)ccc3Br)C(=O)N2c2cc(C)ccc2C)c1 ZINC000002073606 551748248 /nfs/dbraw/zinc/74/82/48/551748248.db2.gz DHTGRNBYJWOWRY-VRANQKIWSA-N 0 0 507.453 7.197 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1c(C)cccc1C ZINC000002073638 551748289 /nfs/dbraw/zinc/74/82/89/551748289.db2.gz PCZPOIKJUKPIIS-IIDKFWLGSA-N 0 0 513.062 8.642 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000002074167 551748630 /nfs/dbraw/zinc/74/86/30/551748630.db2.gz GXWHGKBLCKKBQS-NGOKVRLYSA-N 0 0 521.610 5.123 50 30 KKEARN CCOc1cc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002075608 551749659 /nfs/dbraw/zinc/74/96/59/551749659.db2.gz OUKIEORHETYYNX-OJBRBWAMSA-N 0 0 578.290 6.265 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@H]3[C@H](C1=O)C1(Br)c4ccccc4C3(Br)c3ccccc31)CCCC2 ZINC000002076746 551750336 /nfs/dbraw/zinc/75/03/36/551750336.db2.gz QNTCQMBXSRRGIZ-AZZUFQGZSA-N 0 0 594.328 5.908 50 30 KKEARN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@@]3(c4ccccc4)OC(=O)C(=O)C3=C2c2ccccc2)cc1 ZINC000002077697 551750359 /nfs/dbraw/zinc/75/03/59/551750359.db2.gz KBZAHDQQBSNDEP-LHEWISCISA-N 0 0 561.637 6.761 50 30 KKEARN C=CCOc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OCC ZINC000002081005 551751426 /nfs/dbraw/zinc/75/14/26/551751426.db2.gz AKNBGKLZKTZKHR-YVLHZVERSA-N 0 0 509.727 5.253 50 30 KKEARN C=CCOc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OCC=C ZINC000002081079 551751456 /nfs/dbraw/zinc/75/14/56/551751456.db2.gz AEYWJPSLBAIBPP-WOJGMQOQSA-N 0 0 521.738 5.419 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O ZINC000002082161 551752255 /nfs/dbraw/zinc/75/22/55/551752255.db2.gz NEBBVRCWPHVIIE-SDOFRJHVSA-N 0 0 551.506 7.487 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c1Cl)CCCC2 ZINC000002082423 551752774 /nfs/dbraw/zinc/75/27/74/551752774.db2.gz GNNJCWVXPRHVGF-UHFFFAOYSA-N 0 0 580.817 6.895 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc(OC)ccc2Br)C(=O)N1c1ccccc1CC ZINC000002083955 551753647 /nfs/dbraw/zinc/75/36/47/551753647.db2.gz DKLNXYNCOJPIAZ-WAMJVRJTSA-N 0 0 521.480 7.391 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)cc3n2)cc1 ZINC000002084446 551754201 /nfs/dbraw/zinc/75/42/01/551754201.db2.gz YRTVZWNVFLBIEQ-MRXNPFEDSA-N 0 0 553.610 6.760 50 30 KKEARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000002084557 551754287 /nfs/dbraw/zinc/75/42/87/551754287.db2.gz HINWPVMXKGQCJD-BRKSMKGBSA-N 0 0 546.490 7.122 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C3/c4cc(Br)ccc4N(CC)C3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002085408 551755079 /nfs/dbraw/zinc/75/50/79/551755079.db2.gz ZJIKWVMRRXAPET-DNCIHIQVSA-N 0 0 560.517 7.119 50 30 KKEARN N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)sc2c1CCCCCC2 ZINC000002085826 551755578 /nfs/dbraw/zinc/75/55/78/551755578.db2.gz BANLJASBJNIEIE-UHFFFAOYSA-N 0 0 508.713 6.618 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000002087649 551757083 /nfs/dbraw/zinc/75/70/83/551757083.db2.gz ABTQBOPFHMUBBB-UHFFFAOYSA-N 0 0 553.662 5.035 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002095273 551761210 /nfs/dbraw/zinc/76/12/10/551761210.db2.gz VLTCPGZEUVEOLZ-DEOSSOPVSA-N 0 0 532.475 5.946 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002105999 551763712 /nfs/dbraw/zinc/76/37/12/551763712.db2.gz ABNGNDHWUBQQRJ-RUZDIDTESA-N 0 0 574.899 6.467 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)o3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002106472 551764069 /nfs/dbraw/zinc/76/40/69/551764069.db2.gz FOLGUMMKICNWTA-UHFFFAOYSA-N 0 0 583.757 6.450 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002106460 551764088 /nfs/dbraw/zinc/76/40/88/551764088.db2.gz VUOHYSMGLROFIP-UHFFFAOYSA-N 0 0 536.704 6.145 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002106458 551764103 /nfs/dbraw/zinc/76/41/03/551764103.db2.gz HPROPJOOGFJMLO-UHFFFAOYSA-N 0 0 583.757 6.450 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cccs3)c2C(=O)OC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002106533 551764397 /nfs/dbraw/zinc/76/43/97/551764397.db2.gz PIHDOGBVMXDIJM-UHFFFAOYSA-N 0 0 571.771 6.220 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002106727 551764559 /nfs/dbraw/zinc/76/45/59/551764559.db2.gz XFMWKGPEKXNJIV-UHFFFAOYSA-N 0 0 553.990 6.853 50 30 KKEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)F)c4)c3n2)cc1 ZINC000002107828 551764958 /nfs/dbraw/zinc/76/49/58/551764958.db2.gz PRBKGCOPECTRMH-UHFFFAOYSA-N 0 0 574.428 6.777 50 30 KKEARN CCc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(CC(C)C)cc4)nc4ccccc43)c2C#N)cc1 ZINC000002108102 551765114 /nfs/dbraw/zinc/76/51/14/551765114.db2.gz HNPRNNGCQBGLON-UHFFFAOYSA-N 0 0 529.709 8.824 50 30 KKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108110 551765118 /nfs/dbraw/zinc/76/51/18/551765118.db2.gz PLUHTJKUYFVISI-HXUWFJFHSA-N 0 0 529.709 9.193 50 30 KKEARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4Cl)c3C#N)c3ccccc3n2)cc1 ZINC000002108171 551765370 /nfs/dbraw/zinc/76/53/70/551765370.db2.gz WOQJYMZECNNZDV-UHFFFAOYSA-N 0 0 556.518 9.260 50 30 KKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4cccc(OCC(C)C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108302 551765434 /nfs/dbraw/zinc/76/54/34/551765434.db2.gz HNVQLEBTZWFSNR-HSZRJFAPSA-N 0 0 573.762 9.611 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000002108471 551765822 /nfs/dbraw/zinc/76/58/22/551765822.db2.gz JDUFYWIKRXFTFZ-AREMUKBSSA-N 0 0 554.481 6.204 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002108439 551765849 /nfs/dbraw/zinc/76/58/49/551765849.db2.gz WVVZFWLOQZMFHZ-VWLOTQADSA-N 0 0 529.555 6.070 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000002111730 551767607 /nfs/dbraw/zinc/76/76/07/551767607.db2.gz WXFJVHDTIKUDMZ-AREMUKBSSA-N 0 0 524.455 6.176 50 30 KKEARN N#Cc1c(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)sc2c1CCCCCCCCCC2 ZINC000002112320 551768028 /nfs/dbraw/zinc/76/80/28/551768028.db2.gz YGZABQPANUEDSV-UHFFFAOYSA-N 0 0 551.550 8.433 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Br)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002113646 551768468 /nfs/dbraw/zinc/76/84/68/551768468.db2.gz MZGFITWQTCKTMW-QFIPXVFZSA-N 0 0 561.845 5.602 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Cl)c1OC)Nc1ccc(Br)cc1-2 ZINC000002114049 551768856 /nfs/dbraw/zinc/76/88/56/551768856.db2.gz HFIJXKVPCALMNP-GOSISDBHSA-N 0 0 526.243 6.398 50 30 KKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1C ZINC000002114320 551768875 /nfs/dbraw/zinc/76/88/75/551768875.db2.gz QJTHRTQUTXKCRP-UHFFFAOYSA-N 0 0 599.275 6.399 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c(OC)c(Br)c1)N(C(=O)CC)c1ccccc1-2 ZINC000002114370 551769022 /nfs/dbraw/zinc/76/90/22/551769022.db2.gz RAQNIUJNPIHJFA-JOCHJYFZSA-N 0 0 592.313 6.185 50 30 KKEARN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)c2)cc1Cl ZINC000002123955 551771470 /nfs/dbraw/zinc/77/14/70/551771470.db2.gz OKYZVDLNTALXTQ-UHFFFAOYSA-N 0 0 561.122 6.981 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000002123960 551771484 /nfs/dbraw/zinc/77/14/84/551771484.db2.gz RXVPRINAAWMNLU-UHFFFAOYSA-N 0 0 591.148 6.990 50 30 KKEARN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000002142764 551775017 /nfs/dbraw/zinc/77/50/17/551775017.db2.gz HFDHANHOVOSPRK-QGZVFWFLSA-N 0 0 516.385 6.056 50 30 KKEARN O=C(Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002142749 551775021 /nfs/dbraw/zinc/77/50/21/551775021.db2.gz IMVLDMIKBFVSIY-UHFFFAOYSA-N 0 0 527.303 6.481 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O ZINC000002142894 551775299 /nfs/dbraw/zinc/77/52/99/551775299.db2.gz FURPSTWHHXIWBL-HKOYGPOVSA-N 0 0 518.679 5.754 50 30 KKEARN Cc1ccc(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3ccccc3Cl)C3=C2CCCC3=O)cc1Cl ZINC000002151120 551778133 /nfs/dbraw/zinc/77/81/33/551778133.db2.gz LLYHIFOKBOBKCY-VWLOTQADSA-N 0 0 503.429 6.966 50 30 KKEARN Cc1ccc(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1Cl ZINC000002151080 551778168 /nfs/dbraw/zinc/77/81/68/551778168.db2.gz PZBLTVSFXUYXFK-VWLOTQADSA-N 0 0 513.981 6.221 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151387 551778362 /nfs/dbraw/zinc/77/83/62/551778362.db2.gz IUPYLEIPKIITOW-VWLOTQADSA-N 0 0 529.434 6.122 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151391 551778389 /nfs/dbraw/zinc/77/83/89/551778389.db2.gz IUPYLEIPKIITOW-RUZDIDTESA-N 0 0 529.434 6.122 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccc(Br)cc3)C3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1 ZINC000002151261 551778391 /nfs/dbraw/zinc/77/83/91/551778391.db2.gz FMGOMAKMYLOQLJ-RUZDIDTESA-N 0 0 513.435 6.422 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151469 551778563 /nfs/dbraw/zinc/77/85/63/551778563.db2.gz NOWZJYDWSFXACJ-SANMLTNESA-N 0 0 515.009 6.021 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C(=O)c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000002151984 551778793 /nfs/dbraw/zinc/77/87/93/551778793.db2.gz KYLRQLNZYSKXCS-VWLOTQADSA-N 0 0 595.459 7.768 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151966 551778807 /nfs/dbraw/zinc/77/88/07/551778807.db2.gz RGPKDLBSXGUCIC-AREMUKBSSA-N 0 0 578.587 6.395 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C(=O)c1ccccc1)[C@H]2c1ccc2c(c1)OCO2 ZINC000002152087 551779035 /nfs/dbraw/zinc/77/90/35/551779035.db2.gz AVMOUQIQZLKXOX-SANMLTNESA-N 0 0 571.471 6.478 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002152045 551779036 /nfs/dbraw/zinc/77/90/36/551779036.db2.gz VTWLSZYNHOZFIN-MHZLTWQESA-N 0 0 559.062 6.338 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002152802 551779191 /nfs/dbraw/zinc/77/91/91/551779191.db2.gz ANXCEWXGZGILPA-XGCWNURASA-N 0 0 539.409 7.272 50 30 KKEARN Clc1cc(Br)ccc1/N=C/c1ccc(/C=N/c2ccc(Br)cc2Cl)cc1 ZINC000002165547 551781832 /nfs/dbraw/zinc/78/18/32/551781832.db2.gz SQNGFRQZUASGRL-KOZSXFMUSA-N 0 0 511.044 8.020 50 30 KKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(OCC)c(OC)cc3Br)C(=O)N2CC)cc1 ZINC000002164533 551781839 /nfs/dbraw/zinc/78/18/39/551781839.db2.gz HGDZBPNWDODBRR-IAUUDGPGSA-N 0 0 505.434 5.879 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Br)cc(I)c3O)S2)cc1 ZINC000002178012 551784283 /nfs/dbraw/zinc/78/42/83/551784283.db2.gz LCLVQGRVTGGRBQ-NVNXTCNLSA-N 0 0 529.197 5.213 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1 ZINC000002181682 551785073 /nfs/dbraw/zinc/78/50/73/551785073.db2.gz RSAVHLQPFQEMJE-IPPBACCNSA-N 0 0 512.075 7.695 50 30 KKEARN C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)c1ccccc1 ZINC000002181391 551785080 /nfs/dbraw/zinc/78/50/80/551785080.db2.gz ZQVWXQGJILGRIF-JOBSNELWSA-N 0 0 510.482 6.779 50 30 KKEARN C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)c1ccccc1 ZINC000002181389 551785106 /nfs/dbraw/zinc/78/51/06/551785106.db2.gz ZQVWXQGJILGRIF-HEOQCTJZSA-N 0 0 510.482 6.779 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000002185402 551786438 /nfs/dbraw/zinc/78/64/38/551786438.db2.gz QGRGYZWZGCNOGN-RYOBIWAXSA-N 0 0 560.716 5.058 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000002185593 551786583 /nfs/dbraw/zinc/78/65/83/551786583.db2.gz GGNOHMQMFGIIEC-WVXBCFDCSA-N 0 0 525.601 5.385 50 30 biogenic KKEARN C=CCc1ccccc1OCCSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C ZINC000002185509 551786592 /nfs/dbraw/zinc/78/65/92/551786592.db2.gz ZJTPYNZGLQBPHN-UHFFFAOYSA-N 0 0 526.706 6.932 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185671 551786775 /nfs/dbraw/zinc/78/67/75/551786775.db2.gz LWQKHZXICMJDJJ-WGDIFIGCSA-N 0 0 509.986 5.392 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc3ccccc32)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002185613 551786797 /nfs/dbraw/zinc/78/67/97/551786797.db2.gz HFHMYRFRZFFCDD-YKGWIAGDSA-N 0 0 512.049 7.341 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC(C)=O ZINC000002186262 551787427 /nfs/dbraw/zinc/78/74/27/551787427.db2.gz FUDUBOIVGOQZJK-AREMUKBSSA-N 0 0 520.423 6.846 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cc(F)c(F)cc1Cl ZINC000002188093 551788368 /nfs/dbraw/zinc/78/83/68/551788368.db2.gz ARHOEZJNQQKBDZ-HKBQPEDESA-N 0 0 574.023 8.309 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 ZINC000002188101 551788401 /nfs/dbraw/zinc/78/84/01/551788401.db2.gz INALLXFPHQCRPN-IBGZPJMESA-N 0 0 507.837 5.508 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000002188119 551788426 /nfs/dbraw/zinc/78/84/26/551788426.db2.gz QFRCKFQRUFBEEO-XIFFEERXSA-N 0 0 572.532 9.434 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000002188568 551788587 /nfs/dbraw/zinc/78/85/87/551788587.db2.gz OREQNSPAFLLDAI-XIFFEERXSA-N 0 0 517.072 8.806 50 30 KKEARN CCOC(=O)COc1cc(Br)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188879 551788786 /nfs/dbraw/zinc/78/87/86/551788786.db2.gz NKTKSWJTMQXXHW-GDLZYMKVSA-N 0 0 564.476 6.862 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000002190003 551789473 /nfs/dbraw/zinc/78/94/73/551789473.db2.gz UOJVUTLJVRMMPS-UHFFFAOYSA-N 0 0 518.625 7.204 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000002190603 551789670 /nfs/dbraw/zinc/78/96/70/551789670.db2.gz BKNXHTIVCFFZOH-UHFFFAOYSA-N 0 0 589.776 8.550 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191756 551790098 /nfs/dbraw/zinc/79/00/98/551790098.db2.gz FJSHLESKBCATAY-PSLXWICFSA-N 0 0 527.996 5.698 50 30 KKEARN C#CC(C)(C)NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)ccc1C ZINC000002191549 551790138 /nfs/dbraw/zinc/79/01/38/551790138.db2.gz IICVYEDXQNYLPL-UHFFFAOYSA-N 0 0 557.022 6.207 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000002192709 551791107 /nfs/dbraw/zinc/79/11/07/551791107.db2.gz WUKJWNWOGDVMFR-UHFFFAOYSA-N 0 0 500.513 7.245 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000002202410 551792890 /nfs/dbraw/zinc/79/28/90/551792890.db2.gz OXGMMZMMYUEHRV-UHFFFAOYSA-N 0 0 504.598 6.814 50 30 KKEARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(Cl)c3N2)cc1 ZINC000002208858 551793814 /nfs/dbraw/zinc/79/38/14/551793814.db2.gz VUDTWVLQTZZCKS-WMZOPIPTSA-N 0 0 519.980 6.570 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Br)cc1)-c1ccccc1CC21CCCC1 ZINC000002232590 551797792 /nfs/dbraw/zinc/79/77/92/551797792.db2.gz OKGYRUFFZFRUTJ-UHFFFAOYSA-N 0 0 536.495 5.958 50 30 KKEARN O=C(C=Cc1ccc(Cl)cc1)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(Cl)cc2)N1 ZINC000002247759 551800468 /nfs/dbraw/zinc/80/04/68/551800468.db2.gz SKVZSBCQYPXBGC-TXXDFOPUSA-N 0 0 522.823 6.945 50 30 KKEARN COc1ccc(CCNC(=O)c2c(N)n(/N=C/c3ccc(C(C)C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002250170 551801300 /nfs/dbraw/zinc/80/13/00/551801300.db2.gz VLYBMXJMDYAISD-DPNNOFEESA-N 0 0 506.610 5.153 50 30 KKEARN COc1ccccc1C=CC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(F)cc2)N1 ZINC000002250284 551801583 /nfs/dbraw/zinc/80/15/83/551801583.db2.gz ZTJJYQNEZHCBJW-VOCPSOEZSA-N 0 0 501.949 5.786 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002257151 551803037 /nfs/dbraw/zinc/80/30/37/551803037.db2.gz WMUPTTXBPKJGRP-UHFFFAOYSA-N 0 0 501.652 5.594 50 30 KKEARN CCOC(=O)[C@](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002300403 551807804 /nfs/dbraw/zinc/80/78/04/551807804.db2.gz KFACUPGHUPWSPF-KRWDZBQOSA-N 0 0 502.770 5.520 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1C ZINC000002300165 551807828 /nfs/dbraw/zinc/80/78/28/551807828.db2.gz MPWQOOHCQCPLND-DCLYXHRQSA-N 0 0 537.710 7.375 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=S)NCc2ccccc2)cc1 ZINC000002301444 551808085 /nfs/dbraw/zinc/80/80/85/551808085.db2.gz CIBXMRUCCZEFBB-NDZAJKAJSA-N 0 0 540.527 6.203 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C ZINC000002302418 551808112 /nfs/dbraw/zinc/80/81/12/551808112.db2.gz ZISOIAJPZQMCGU-TXUMJUCDSA-N 0 0 517.676 5.793 50 30 KKEARN O=C(Oc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1)c1ccc(F)cc1 ZINC000002329703 551809395 /nfs/dbraw/zinc/80/93/95/551809395.db2.gz TXDSMGMQNYLLEK-UHFFFAOYSA-N 0 0 504.477 5.150 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)C3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002229002 552082083 /nfs/dbraw/zinc/08/20/83/552082083.db2.gz YMVARBPKLQVWDO-DHIUTWEWSA-N 0 0 596.676 6.645 50 30 KKEARN CCOc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002268751 552085731 /nfs/dbraw/zinc/08/57/31/552085731.db2.gz KKEMSCJCOLSTSW-ZLSVPYIESA-N 0 0 516.616 7.955 50 30 KKEARN COc1ccc(C2=C(/C=N/c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002282937 552087321 /nfs/dbraw/zinc/08/73/21/552087321.db2.gz UTIOATQHHOGLQY-ZDSNLTSISA-N 0 0 504.586 7.000 50 30 KKEARN C=C(C)CSc1nnc(OCC)n1C1=C(C(=O)Nc2cccc(C)c2)C2(CCCCC2)Cc2ccccc21 ZINC000002282856 552087339 /nfs/dbraw/zinc/08/73/39/552087339.db2.gz HLWNWNOMFZASPD-UHFFFAOYSA-N 0 0 528.722 7.058 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000002335362 552096886 /nfs/dbraw/zinc/09/68/86/552096886.db2.gz PXYPWZFANWCBEB-DEOSSOPVSA-N 0 0 508.899 5.196 50 30 KKEARN C=C(C)Cn1c(SCC(=O)c2ccc(Br)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002350821 552100018 /nfs/dbraw/zinc/10/00/18/552100018.db2.gz VDNSFYFLQIDHNP-UHFFFAOYSA-N 0 0 549.534 6.982 50 30 KKEARN [O-]c1c(Br)cc(Br)cc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000002357077 552101250 /nfs/dbraw/zinc/10/12/50/552101250.db2.gz AFNZFILSRBBQNY-JFLMPSFJSA-N 0 0 527.260 5.639 50 30 KKEARN Cc1sc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2-c2ccccc2)c(C#N)c1C ZINC000002394936 552110023 /nfs/dbraw/zinc/11/00/23/552110023.db2.gz BFIQBKZCXLVBNE-UHFFFAOYSA-N 0 0 521.697 5.247 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5cccc(C)c5C)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410339 552113442 /nfs/dbraw/zinc/11/34/42/552113442.db2.gz TYCOLCDNRKQTID-AREMUKBSSA-N 0 0 540.620 5.505 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2CCc1ccc(F)cc1 ZINC000002414123 552114252 /nfs/dbraw/zinc/11/42/52/552114252.db2.gz OAIOIGMOUSVKNB-MHZLTWQESA-N 0 0 522.583 5.631 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000002419661 552115674 /nfs/dbraw/zinc/11/56/74/552115674.db2.gz MMKNHACDESFPDW-ULJHMMPZSA-N 0 0 532.735 5.737 50 30 KKEARN COc1cc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)cc(OC)c1OC ZINC000002424407 552116389 /nfs/dbraw/zinc/11/63/89/552116389.db2.gz GJASCFKAYRNXEV-JMIUGGIZSA-N 0 0 511.324 5.310 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C/c5ccccc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002429342 552117541 /nfs/dbraw/zinc/11/75/41/552117541.db2.gz WNMKGKRQDAUPQW-KVLWWPRUSA-N 0 0 544.011 5.505 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000002533846 552128169 /nfs/dbraw/zinc/12/81/69/552128169.db2.gz UJKWNDKFJNFLPS-UHFFFAOYSA-N 0 0 526.765 6.786 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002542599 552128382 /nfs/dbraw/zinc/12/83/82/552128382.db2.gz VGEAFUIRVOSYTE-DHRITJCHSA-N 0 0 518.820 5.651 50 30 KKEARN CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002542974 552128646 /nfs/dbraw/zinc/12/86/46/552128646.db2.gz HNWNQVJUGJWZHW-STBIYBPSSA-N 0 0 504.011 6.432 50 30 KKEARN Cc1cccc(NC(=S)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc32)c1 ZINC000002543823 552128659 /nfs/dbraw/zinc/12/86/59/552128659.db2.gz ONWZNSQGPBDEDQ-WKULSOCRSA-N 0 0 508.430 6.995 50 30 KKEARN COc1ccc(NC(=S)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000002544120 552128674 /nfs/dbraw/zinc/12/86/74/552128674.db2.gz NLGVZZIVJKVXGW-WKULSOCRSA-N 0 0 524.429 6.695 50 30 KKEARN Clc1ccccc1/C=N/OCc1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1 ZINC000002596164 552134595 /nfs/dbraw/zinc/13/45/95/552134595.db2.gz MSPHFYNGAODEBO-MWBNBJEGSA-N 0 0 559.029 7.258 50 30 KKEARN COc1cccc(CN2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000002605524 552135933 /nfs/dbraw/zinc/13/59/33/552135933.db2.gz URUMMOJCFAJHRI-AREMUKBSSA-N 0 0 584.513 5.439 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1CCc1ccc(F)cc1 ZINC000002605635 552136273 /nfs/dbraw/zinc/13/62/73/552136273.db2.gz QXWBHFSNLPNCIF-PMERELPUSA-N 0 0 568.567 5.886 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1Cl ZINC000002620244 552137958 /nfs/dbraw/zinc/13/79/58/552137958.db2.gz RCAUKQSRRYQUJC-UHFFFAOYSA-N 0 0 566.026 6.911 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000002621277 552137968 /nfs/dbraw/zinc/13/79/68/552137968.db2.gz GCNQKWHFGYGOMS-IBGZPJMESA-N 0 0 558.578 5.221 50 30 KKEARN Cc1cc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002634638 552140493 /nfs/dbraw/zinc/14/04/93/552140493.db2.gz MKVKGBVXISTPPT-UHFFFAOYSA-N 0 0 510.571 5.885 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1cc(C)n(C[C@H]2COc3ccccc3O2)c1C ZINC000002639197 552142164 /nfs/dbraw/zinc/14/21/64/552142164.db2.gz OZTMLWPVCOFLLI-VWLOTQADSA-N 0 0 558.704 5.839 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(SCC)s2)c1 ZINC000002642113 552143297 /nfs/dbraw/zinc/14/32/97/552143297.db2.gz UODNBBBBFBWLIN-UHFFFAOYSA-N 0 0 563.048 5.956 50 30 KKEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000002642769 552143542 /nfs/dbraw/zinc/14/35/42/552143542.db2.gz SIGNBHIGVRAZKI-VWLOTQADSA-N 0 0 522.725 5.375 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002665637 552151493 /nfs/dbraw/zinc/15/14/93/552151493.db2.gz DZWOFZQUXKZNLT-RISWYLRJSA-N 0 0 581.477 5.540 50 30 KKEARN Cc1cc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000002669086 552152243 /nfs/dbraw/zinc/15/22/43/552152243.db2.gz CRAHTEXFISTKLA-DXXTXKTASA-N 0 0 553.487 6.880 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002679220 552154289 /nfs/dbraw/zinc/15/42/89/552154289.db2.gz WADQVFDWGWSNAB-UHFFFAOYSA-N 0 0 587.748 6.865 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)nc2sc3c(c2c1=O)CCCCC3 ZINC000002679403 552154476 /nfs/dbraw/zinc/15/44/76/552154476.db2.gz BAHDSLHHJZRCCA-UHFFFAOYSA-N 0 0 572.583 7.602 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719408 552163590 /nfs/dbraw/zinc/16/35/90/552163590.db2.gz WQPJXNOQFIYCPB-JOCHJYFZSA-N 0 0 533.650 5.701 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719484 552163627 /nfs/dbraw/zinc/16/36/27/552163627.db2.gz DUSVZTJKOPQOTH-JOCHJYFZSA-N 0 0 538.069 6.346 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719487 552163968 /nfs/dbraw/zinc/16/39/68/552163968.db2.gz SXROXWKIBZDGTO-QFIPXVFZSA-N 0 0 568.095 6.354 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000002726830 552167092 /nfs/dbraw/zinc/16/70/92/552167092.db2.gz PLMOUZGSXLWMOV-QHCPKHFHSA-N 0 0 556.453 5.527 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002735259 552169520 /nfs/dbraw/zinc/16/95/20/552169520.db2.gz QCRDRILDHWLUKW-HRFSGMKKSA-N 0 0 530.602 5.640 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)sc2C1 ZINC000002736695 552170274 /nfs/dbraw/zinc/17/02/74/552170274.db2.gz VDMJBEPSUHPWTP-KRWDZBQOSA-N 0 0 500.067 7.892 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(-c3cc4c(cc3Br)OCO4)cc2)C2=C(CCCC2=O)N1 ZINC000002738871 552171017 /nfs/dbraw/zinc/17/10/17/552171017.db2.gz QMOWQGFMLPTJSV-PMERELPUSA-N 0 0 586.482 6.599 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(-c3cc4c(cc3Br)OCO4)cc2)C2=C(CCCC2=O)N1 ZINC000002738870 552171061 /nfs/dbraw/zinc/17/10/61/552171061.db2.gz QMOWQGFMLPTJSV-SSEXGKCCSA-N 0 0 586.482 6.599 50 30 KKEARN Cc1cc(C(F)F)nc2sc3c(c21)N[C@@H](c1c(F)c(F)c(F)c(F)c1F)N(Cc1cccc(F)c1)C3=O ZINC000002740966 552171702 /nfs/dbraw/zinc/17/17/02/552171702.db2.gz CPIDOHMMCNYEFZ-JOCHJYFZSA-N 0 0 543.439 7.144 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc43)sc2C1 ZINC000002740518 552171714 /nfs/dbraw/zinc/17/17/14/552171714.db2.gz YFPZBWVZYJBZPY-HNNXBMFYSA-N 0 0 502.437 6.975 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000002740949 552171717 /nfs/dbraw/zinc/17/17/17/552171717.db2.gz ZKWNVGWYRHTDFP-PIKZIKFNSA-N 0 0 550.493 6.695 50 30 KKEARN C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3-c3nnc(SCCCCC)nc3O2)cc1OCC ZINC000002744896 552172950 /nfs/dbraw/zinc/17/29/50/552172950.db2.gz YWSFGFHYBJTRDE-XMMPIXPASA-N 0 0 557.514 7.050 50 30 KKEARN C=CCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)nc21 ZINC000002745872 552173655 /nfs/dbraw/zinc/17/36/55/552173655.db2.gz QSDOVWRZFORXQZ-LJQANCHMSA-N 0 0 535.695 5.792 50 30 KKEARN C#CCOc1ccc(Br)cc1/C=N/N1C(=O)c2ccccc2N[C@@H]1c1cc(Br)ccc1OCC#C ZINC000002747096 552174193 /nfs/dbraw/zinc/17/41/93/552174193.db2.gz ATSFDJGIVLJOSN-FLANDWEYSA-N 0 0 593.275 5.836 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000002756206 552177957 /nfs/dbraw/zinc/17/79/57/552177957.db2.gz PUFNNKRQCYLHDL-VWLOTQADSA-N 0 0 558.900 6.849 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000002756510 552178399 /nfs/dbraw/zinc/17/83/99/552178399.db2.gz OODAWVXUHZKNGA-DOTOQJQBSA-N 0 0 584.849 7.024 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000002757320 552178573 /nfs/dbraw/zinc/17/85/73/552178573.db2.gz OFYPQFNDZUJEBK-OSPHWJPCSA-N 0 0 500.422 6.317 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000002757308 552178605 /nfs/dbraw/zinc/17/86/05/552178605.db2.gz OUQHGTNMXBTKOA-AVRWGWEMSA-N 0 0 500.035 6.137 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2Br)cc1 ZINC000002757400 552178743 /nfs/dbraw/zinc/17/87/43/552178743.db2.gz KXTTZSSOKLPDHU-YUDQIZAISA-N 0 0 572.499 6.605 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000002757442 552178752 /nfs/dbraw/zinc/17/87/52/552178752.db2.gz HDNIWHVYPINMOG-NGOKVRLYSA-N 0 0 506.042 6.586 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000002757448 552178757 /nfs/dbraw/zinc/17/87/57/552178757.db2.gz TWVXWXWWTBLVCL-PBBNMVCDSA-N 0 0 560.046 6.038 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002757494 552178975 /nfs/dbraw/zinc/17/89/75/552178975.db2.gz YRQUUYHOXSNCGC-IQGLISFBSA-N 0 0 500.422 5.935 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000002757537 552178988 /nfs/dbraw/zinc/17/89/88/552178988.db2.gz JUTBFTHKWKRNGY-QXNWPYRLSA-N 0 0 539.628 5.688 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000002757480 552178992 /nfs/dbraw/zinc/17/89/92/552178992.db2.gz NXAZICIOEBUESW-NYFMKLKXSA-N 0 0 551.683 6.835 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757484 552179011 /nfs/dbraw/zinc/17/90/11/552179011.db2.gz QCCGSQLLNXUWSL-KOSHJBKYSA-N 0 0 514.847 6.416 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000002757711 552179203 /nfs/dbraw/zinc/17/92/03/552179203.db2.gz WCRWOJLDINGUOC-CJFMBICVSA-N 0 0 526.496 6.107 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002757742 552179443 /nfs/dbraw/zinc/17/94/43/552179443.db2.gz TVGZQZUTEBAWHO-YJNPBZNESA-N 0 0 547.695 7.503 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757996 552179683 /nfs/dbraw/zinc/17/96/83/552179683.db2.gz SFCJLMDAEKOYNC-NGOKVRLYSA-N 0 0 582.911 7.631 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002757972 552179704 /nfs/dbraw/zinc/17/97/04/552179704.db2.gz BZDXZHAFLZLXTN-UTONBFNKSA-N 0 0 567.682 6.598 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(CC(C)(C)CC2=O)N1 ZINC000002758071 552180039 /nfs/dbraw/zinc/18/00/39/552180039.db2.gz UVFIGMDKSMTZMQ-AREMUKBSSA-N 0 0 534.008 5.673 50 30 biogenic KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002758146 552180301 /nfs/dbraw/zinc/18/03/01/552180301.db2.gz VQAMBHNCYNEJJJ-CMVGPNDKSA-N 0 0 583.750 6.932 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000002758430 552180599 /nfs/dbraw/zinc/18/05/99/552180599.db2.gz MBRLZKVEBLOBJJ-RUZDIDTESA-N 0 0 508.546 5.480 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000002758929 552181323 /nfs/dbraw/zinc/18/13/23/552181323.db2.gz PQTNZOQCRNFVOZ-IBGZPJMESA-N 0 0 537.481 5.501 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002762144 552182544 /nfs/dbraw/zinc/18/25/44/552182544.db2.gz KMPITDRFWLWQNO-IQGLISFBSA-N 0 0 527.042 5.906 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002762163 552182700 /nfs/dbraw/zinc/18/27/00/552182700.db2.gz BRGYAACOBCBHKX-DWXRJYCRSA-N 0 0 526.054 5.727 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 ZINC000002762249 552183003 /nfs/dbraw/zinc/18/30/03/552183003.db2.gz OWWUILAEIXHYSL-BVZFJXPGSA-N 0 0 500.035 6.137 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000002768187 552183731 /nfs/dbraw/zinc/18/37/31/552183731.db2.gz HAEZTTWZUHBQGE-XMMPIXPASA-N 0 0 514.416 5.788 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002771904 552184682 /nfs/dbraw/zinc/18/46/82/552184682.db2.gz VGSLZHORLZCVRK-AVRWGWEMSA-N 0 0 513.681 5.423 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000002771866 552184688 /nfs/dbraw/zinc/18/46/88/552184688.db2.gz AWDJKFZLZRQYAR-HLADLETHSA-N 0 0 509.602 5.679 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000002771841 552184742 /nfs/dbraw/zinc/18/47/42/552184742.db2.gz MXOWKHCFMXQHQO-KCWXNJEJSA-N 0 0 535.637 5.426 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000002771940 552184948 /nfs/dbraw/zinc/18/49/48/552184948.db2.gz RRHFMTLSWBHFNB-GKVSMKOHSA-N 0 0 544.417 5.148 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002771957 552184950 /nfs/dbraw/zinc/18/49/50/552184950.db2.gz MXRKTSQDXIMWGM-UQBPGWFLSA-N 0 0 510.974 5.190 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002771976 552184952 /nfs/dbraw/zinc/18/49/52/552184952.db2.gz YVZGYMRJGJNOFP-WXTAPIANSA-N 0 0 556.453 5.018 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002772004 552184967 /nfs/dbraw/zinc/18/49/67/552184967.db2.gz WBAUPEAJXFUXGB-NFQMXDRXSA-N 0 0 503.595 5.871 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000002771977 552184978 /nfs/dbraw/zinc/18/49/78/552184978.db2.gz YVZGYMRJGJNOFP-DWXRJYCRSA-N 0 0 556.453 5.018 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1coc2ccccc2c1=O ZINC000002772052 552185340 /nfs/dbraw/zinc/18/53/40/552185340.db2.gz ZRISFKYOJYQZAQ-GDJIYFAZSA-N 0 0 545.657 5.460 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002772171 552185471 /nfs/dbraw/zinc/18/54/71/552185471.db2.gz DPWXGVCVRALMIA-PPHZAIPVSA-N 0 0 503.595 5.871 50 30 KKEARN CCCOc1c(I)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000002772683 552185481 /nfs/dbraw/zinc/18/54/81/552185481.db2.gz AYMPFEPANJVTJU-UHFFFAOYSA-N 0 0 522.379 5.607 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002775325 552186485 /nfs/dbraw/zinc/18/64/85/552186485.db2.gz LZZPYYAOPMYTBQ-QYBDOPJKSA-N 0 0 542.028 5.004 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Br ZINC000002775556 552186633 /nfs/dbraw/zinc/18/66/33/552186633.db2.gz FXZNIJIPEAPBSX-CLOONOSVSA-N 0 0 510.428 5.390 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000002776363 552187136 /nfs/dbraw/zinc/18/71/36/552187136.db2.gz OJZQBRJZAKMTEF-IPBJYNAHSA-N 0 0 553.611 5.408 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000002776088 552187139 /nfs/dbraw/zinc/18/71/39/552187139.db2.gz LQZGDJMSXMOPAC-JHOBJCJYSA-N 0 0 544.047 6.332 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(O)c2)cc1 ZINC000002776335 552187172 /nfs/dbraw/zinc/18/71/72/552187172.db2.gz AYYIKCXBGDTBGI-JHOBJCJYSA-N 0 0 525.601 5.385 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000002776357 552187199 /nfs/dbraw/zinc/18/71/99/552187199.db2.gz XUXHMRGENPUEKV-XMMPIXPASA-N 0 0 512.002 5.280 50 30 KKEARN C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1 ZINC000002780636 552188243 /nfs/dbraw/zinc/18/82/43/552188243.db2.gz CDKCJOIGCVPUAC-ZDUSSCGKSA-N 0 0 522.424 6.310 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C(F)(F)F)nc1SCc1cn2cc(Cl)cc(Cl)c2n1 ZINC000002783415 552189141 /nfs/dbraw/zinc/18/91/41/552189141.db2.gz LSNAAGSOLDRNLI-UHFFFAOYSA-N 0 0 513.759 7.539 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002788577 552191151 /nfs/dbraw/zinc/19/11/51/552191151.db2.gz GFFVONRGYSOECV-SIBVEZHUSA-N 0 0 512.071 6.007 50 30 KKEARN CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(OC)cc4)c3C#N)c3cc(Br)ccc3n2)cc1 ZINC000002789271 552191643 /nfs/dbraw/zinc/19/16/43/552191643.db2.gz KJXBTFDZVFWEDR-UHFFFAOYSA-N 0 0 598.522 8.233 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000002792839 552191904 /nfs/dbraw/zinc/19/19/04/552191904.db2.gz NPWUEJYBQISPDZ-NPMXOYFQSA-N 0 0 534.447 5.591 50 30 KKEARN COc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002794860 552192166 /nfs/dbraw/zinc/19/21/66/552192166.db2.gz VQCNFOFWLIFOPR-UHFFFAOYSA-N 0 0 503.627 7.688 50 30 KKEARN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC(=O)c1ccccc1I ZINC000002831557 552197431 /nfs/dbraw/zinc/19/74/31/552197431.db2.gz JMOLANCEHGSKOY-MTDXEUNCSA-N 0 0 556.400 5.496 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000002847386 552200673 /nfs/dbraw/zinc/20/06/73/552200673.db2.gz OBFXFIRRJYJXQD-REATZMILSA-N 0 0 555.803 8.335 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cc(Br)ccc1O ZINC000002855076 552202198 /nfs/dbraw/zinc/20/21/98/552202198.db2.gz MPJXESFOQZUSTC-UHFFFAOYSA-N 0 0 528.457 5.454 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002855910 552202460 /nfs/dbraw/zinc/20/24/60/552202460.db2.gz WJDLNKCFDNTZDL-XMMPIXPASA-N 0 0 548.738 5.442 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccsc2)cc1OC ZINC000002866957 552205365 /nfs/dbraw/zinc/20/53/65/552205365.db2.gz NAILFDFOMGCLEV-KMRXNPHXSA-N 0 0 514.647 6.074 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002888984 552210295 /nfs/dbraw/zinc/21/02/95/552210295.db2.gz BZYCRLBPAFREHS-SFHVURJKSA-N 0 0 501.677 6.167 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002889172 552210819 /nfs/dbraw/zinc/21/08/19/552210819.db2.gz OTYWNHOJVZCLIU-CQSZACIVSA-N 0 0 509.682 5.018 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002890694 552211249 /nfs/dbraw/zinc/21/12/49/552211249.db2.gz SPBVDPFUDZRHMO-UHFFFAOYSA-N 0 0 521.649 5.462 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1cccc2c(/N=C/c3cc(Br)ccc3O)cccc12 ZINC000002895168 552211906 /nfs/dbraw/zinc/21/19/06/552211906.db2.gz LYPOGLCDTAKORP-OCHFTUDZSA-N 0 0 524.212 7.277 50 30 KKEARN O=C(Nc1ccccc1C#Cc1ccccc1NC(=O)Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000002900541 552212433 /nfs/dbraw/zinc/21/24/33/552212433.db2.gz AFBHMHOYWFTGGN-UHFFFAOYSA-N 0 0 546.630 8.681 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000002923199 552222071 /nfs/dbraw/zinc/22/20/71/552222071.db2.gz ODHUDXNJUNOTKF-CLOONOSVSA-N 0 0 510.428 5.773 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002925333 552222797 /nfs/dbraw/zinc/22/27/97/552222797.db2.gz UURWFLLNHCITPQ-KBMIEXCESA-N 0 0 510.974 5.190 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926089 552223951 /nfs/dbraw/zinc/22/39/51/552223951.db2.gz KEOQLGGCWKLDDA-NFQMXDRXSA-N 0 0 510.461 7.231 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002926369 552224136 /nfs/dbraw/zinc/22/41/36/552224136.db2.gz ZKGCOJPBHUVJQK-QLXKLKPCSA-N 0 0 588.882 5.773 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000002926689 552224439 /nfs/dbraw/zinc/22/44/39/552224439.db2.gz AQRKGYDGYZKOAM-ZBLYBZFDSA-N 0 0 525.114 6.064 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002927732 552225142 /nfs/dbraw/zinc/22/51/42/552225142.db2.gz FNKHDHDZRLJJRX-IQGLISFBSA-N 0 0 534.867 6.588 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002927489 552225185 /nfs/dbraw/zinc/22/51/85/552225185.db2.gz JVHRMJASSYUKKW-OOWIMERYSA-N 0 0 507.630 6.580 50 30 KKEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000002927755 552225210 /nfs/dbraw/zinc/22/52/10/552225210.db2.gz WSRGFFYDWFNGQI-NJHZRGNWSA-N 0 0 537.612 5.596 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002927726 552225212 /nfs/dbraw/zinc/22/52/12/552225212.db2.gz FNKHDHDZRLJJRX-CJAUYULYSA-N 0 0 534.867 6.588 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2)cc1 ZINC000002950372 552228951 /nfs/dbraw/zinc/22/89/51/552228951.db2.gz QGCNJIQLVWKQMY-UHFFFAOYSA-N 0 0 501.070 9.126 50 30 KKEARN CC(C)(C)c1cc2c(c(-c3cn(/N=C/c4ccccc4)c(NC(=O)Nc4ccccc4Cl)n3)c1)CCC2(C)C ZINC000002950519 552228967 /nfs/dbraw/zinc/22/89/67/552228967.db2.gz HYYLMLGETUKLDV-ALQBTCKLSA-N 0 0 540.111 8.251 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002959542 552233070 /nfs/dbraw/zinc/23/30/70/552233070.db2.gz DEWRUSMUEPJBSV-RUZDIDTESA-N 0 0 536.411 6.322 50 30 KKEARN C=CCOc1c(I)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000002961124 552233818 /nfs/dbraw/zinc/23/38/18/552233818.db2.gz YTONUXQWQXWHFZ-UHFFFAOYSA-N 0 0 576.471 6.655 50 30 KKEARN CCCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002961046 552233848 /nfs/dbraw/zinc/23/38/48/552233848.db2.gz CASLFZJICHUMME-UHFFFAOYSA-N 0 0 517.460 6.647 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000002981102 552250220 /nfs/dbraw/zinc/25/02/20/552250220.db2.gz KWRLMPIRYMLKEJ-PMERELPUSA-N 0 0 507.630 6.710 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)=O)C3)cc1 ZINC000003007327 552255693 /nfs/dbraw/zinc/25/56/93/552255693.db2.gz ZUQCJQHUDJRPER-UHFFFAOYSA-N 0 0 592.768 5.544 50 30 KKEARN CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)c1C#N ZINC000003011291 552258399 /nfs/dbraw/zinc/25/83/99/552258399.db2.gz OQOKEBOQTRKBTD-DNVCBOLYSA-N 0 0 503.506 5.328 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n1)CCCC2 ZINC000003038195 552272252 /nfs/dbraw/zinc/27/22/52/552272252.db2.gz DYSOLZAYGRGFJE-UHFFFAOYSA-N 0 0 536.366 6.786 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc(Cl)c(Cl)c5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000003038200 552272312 /nfs/dbraw/zinc/27/23/12/552272312.db2.gz DFAFRBUHSCIIAE-NSHDSACASA-N 0 0 550.393 7.032 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21 ZINC000003041343 552273168 /nfs/dbraw/zinc/27/31/68/552273168.db2.gz OONYANHKDMRVOR-IADYIPOJSA-N 0 0 517.413 5.687 50 30 KKEARN Cc1cc(C)c(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000003042999 552273631 /nfs/dbraw/zinc/27/36/31/552273631.db2.gz HLVOHWNOSBKNCO-OLFWJLLRSA-N 0 0 521.484 5.920 50 30 KKEARN O=C1/C(=N\NC(=S)Nc2ccccc2F)c2cc(Br)ccc2N1Cc1ccc(Cl)cc1 ZINC000003042992 552273634 /nfs/dbraw/zinc/27/36/34/552273634.db2.gz RFCKOOCZFUCHNQ-OOAXWGSJSA-N 0 0 517.811 5.479 50 30 KKEARN COc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000003043030 552273899 /nfs/dbraw/zinc/27/38/99/552273899.db2.gz LYKUVLUBYHACTD-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(C)cc3)c3ccc(Br)cc32)cc1Cl ZINC000003043952 552274691 /nfs/dbraw/zinc/27/46/91/552274691.db2.gz DPYDDYCGQIICMF-SLMZUGIISA-N 0 0 543.874 5.657 50 30 KKEARN COc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000003044005 552274888 /nfs/dbraw/zinc/27/48/88/552274888.db2.gz VUILCBKCDVQGTN-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000003044002 552274889 /nfs/dbraw/zinc/27/48/89/552274889.db2.gz UHZIUUVKTUTPPM-SLMZUGIISA-N 0 0 527.875 5.957 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)cc1 ZINC000003044096 552275090 /nfs/dbraw/zinc/27/50/90/552275090.db2.gz DRNBYIDKRXOHPC-IADYIPOJSA-N 0 0 545.865 6.042 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000003044206 552275120 /nfs/dbraw/zinc/27/51/20/552275120.db2.gz UNILLAHYKNMCHW-OLFWJLLRSA-N 0 0 521.484 5.866 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000003044259 552275178 /nfs/dbraw/zinc/27/51/78/552275178.db2.gz RMMQNZHMIVLJLE-NFFVHWSESA-N 0 0 507.457 5.557 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2cc(C)ccc2C)C1=O ZINC000003044221 552275188 /nfs/dbraw/zinc/27/51/88/552275188.db2.gz BXBGJWZWRHOPNE-OLFWJLLRSA-N 0 0 521.484 5.866 50 30 KKEARN Cc1cccc(/N=C/c2cc(Br)c(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(Br)c2)c1C ZINC000003079748 552285531 /nfs/dbraw/zinc/28/55/31/552285531.db2.gz JQHAEWWGEPRTRX-OPEKNORGSA-N 0 0 577.185 6.615 50 30 KKEARN Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(/C=N/c3ccccc3C)cc2)cc1 ZINC000003082826 552285815 /nfs/dbraw/zinc/28/58/15/552285815.db2.gz MDTFNTRSNHDTMC-DNJOOXRZSA-N 0 0 552.630 8.243 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003087311 552286340 /nfs/dbraw/zinc/28/63/40/552286340.db2.gz JLBSJUZKEJTZQU-FOKLQQMPSA-N 0 0 519.136 6.318 50 30 KKEARN COc1ccc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)cc1Br ZINC000003091168 552286739 /nfs/dbraw/zinc/28/67/39/552286739.db2.gz VTFBFYIRRULFGE-WYMPLXKRSA-N 0 0 533.163 6.621 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1 ZINC000003097163 552287478 /nfs/dbraw/zinc/28/74/78/552287478.db2.gz GKKNZYOHDUDLJL-KBVAKVRCSA-N 0 0 525.699 7.761 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000003098504 552287943 /nfs/dbraw/zinc/28/79/43/552287943.db2.gz UBXNYLHAUUMADF-NJHZRGNWSA-N 0 0 523.629 5.817 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000003098506 552287952 /nfs/dbraw/zinc/28/79/52/552287952.db2.gz UBXNYLHAUUMADF-FKAPRUDGSA-N 0 0 523.629 5.817 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000003098503 552288001 /nfs/dbraw/zinc/28/80/01/552288001.db2.gz UBXNYLHAUUMADF-OOWIMERYSA-N 0 0 523.629 5.817 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000003109009 552289284 /nfs/dbraw/zinc/28/92/84/552289284.db2.gz NHVXWJGDZPIBLR-YTTGMZPUSA-N 0 0 558.505 9.044 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1O ZINC000003113601 552289841 /nfs/dbraw/zinc/28/98/41/552289841.db2.gz HJSPBRGCKXXMRI-KBKYJPHKSA-N 0 0 530.216 7.101 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000003134466 552292983 /nfs/dbraw/zinc/29/29/83/552292983.db2.gz ASEKFZPTDPMTID-UHFFFAOYSA-N 0 0 508.340 6.205 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)ccc3o2)cc1Br ZINC000003142056 552294660 /nfs/dbraw/zinc/29/46/60/552294660.db2.gz RDYOQKFEXSDMAM-KPGMTVGESA-N 0 0 575.390 7.383 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000003143338 552295899 /nfs/dbraw/zinc/29/58/99/552295899.db2.gz NLXXZPKSOJYWFO-VJTPSNAYSA-N 0 0 524.576 7.626 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000003143421 552296147 /nfs/dbraw/zinc/29/61/47/552296147.db2.gz FPGBABLMZXQHHS-LQKURTRISA-N 0 0 510.462 6.863 50 30 KKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000003144318 552296632 /nfs/dbraw/zinc/29/66/32/552296632.db2.gz QGCKSCKKARDTHC-CZYCKNNWSA-N 0 0 510.506 6.462 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCCCCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000003170717 552299054 /nfs/dbraw/zinc/29/90/54/552299054.db2.gz ORCVEUYNDWCDRY-OALUTQOASA-N 0 0 536.767 7.110 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000003169960 552299078 /nfs/dbraw/zinc/29/90/78/552299078.db2.gz YNFFMIYAGHMTSO-NTDJFUTDSA-N 0 0 584.770 8.981 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003177955 552300095 /nfs/dbraw/zinc/30/00/95/552300095.db2.gz KIBQFXOJQXBEEG-UHFFFAOYSA-N 0 0 594.637 5.009 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000003176836 552300123 /nfs/dbraw/zinc/30/01/23/552300123.db2.gz BRDGWCKPDXZGFY-GVAUOCQISA-N 0 0 514.810 6.387 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(SC(F)F)cc1)c1ccccc1 ZINC000003221709 552310726 /nfs/dbraw/zinc/31/07/26/552310726.db2.gz LAPBGCLERBSRHE-UHFFFAOYSA-N 0 0 522.606 5.683 50 30 KKEARN COc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000003223356 552311482 /nfs/dbraw/zinc/31/14/82/552311482.db2.gz LCHZLDBXQMVKDT-UHFFFAOYSA-N 0 0 530.675 5.374 50 30 KKEARN CCN(CC)S(=O)(=O)c1cc(C(=O)C2=C3SC=C(c4ccccc4)N3CCCC2)ccc1Cl ZINC000003235366 552316556 /nfs/dbraw/zinc/31/65/56/552316556.db2.gz NMKPQMNMNPWRNH-UHFFFAOYSA-N 0 0 503.089 5.996 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3c(OC)cccc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003248937 552321473 /nfs/dbraw/zinc/32/14/73/552321473.db2.gz CVOKWZZNNVQVNF-UHFFFAOYSA-N 0 0 542.544 5.315 50 30 KKEARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 ZINC000003255288 552323733 /nfs/dbraw/zinc/32/37/33/552323733.db2.gz DNUJCYCSXMSAOR-YZSQISJMSA-N 0 0 539.053 5.203 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C#N)c1nc3ccccc3nc1Cl)C[C@@H](c1ccccc1)CC2 ZINC000003259762 552325792 /nfs/dbraw/zinc/32/57/92/552325792.db2.gz CGKADVNCVSBUIU-PKOBYXMFSA-N 0 0 531.037 6.040 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nc2sc(CC)cc2c1=O ZINC000003264339 552327806 /nfs/dbraw/zinc/32/78/06/552327806.db2.gz JNJNTUVMYMLNPL-UHFFFAOYSA-N 0 0 532.716 6.522 50 30 KKEARN COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000003266931 552329625 /nfs/dbraw/zinc/32/96/25/552329625.db2.gz JUTVSOJQBGMLPQ-MRXNPFEDSA-N 0 0 568.051 5.220 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000003268858 552331045 /nfs/dbraw/zinc/33/10/45/552331045.db2.gz DPCKFDMHTHIOMD-UHFFFAOYSA-N 0 0 533.433 5.479 50 30 KKEARN C=CCn1c(=O)c2ccccc2nc1S[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000003273906 552333069 /nfs/dbraw/zinc/33/30/69/552333069.db2.gz OCLZADNHKHCHCK-JOCHJYFZSA-N 0 0 529.971 6.727 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1Cl ZINC000003278729 552335057 /nfs/dbraw/zinc/33/50/57/552335057.db2.gz NMNCODCTUZDFIF-UHFFFAOYSA-N 0 0 546.501 6.439 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2sc3c(c2c1=O)CCC3 ZINC000003286683 552337901 /nfs/dbraw/zinc/33/79/01/552337901.db2.gz JTSCTHYEBSHVOI-LLVKDONJSA-N 0 0 513.994 5.924 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003288134 552338604 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5.417 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c2C#N)cc1OC ZINC000006162739 552555649 /nfs/dbraw/zinc/55/56/49/552555649.db2.gz STJQBUMTNOPJHA-UHFFFAOYSA-N 0 0 587.726 8.226 50 30 KKEARN C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N)C(=O)Nc1cccc2ccccc21 ZINC000006177200 552560039 /nfs/dbraw/zinc/56/00/39/552560039.db2.gz FLDYBZNYFSVNJH-FQEVSTJZSA-N 0 0 520.057 8.213 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000006177371 552560048 /nfs/dbraw/zinc/56/00/48/552560048.db2.gz HFPFZEVMABITPL-LJQANCHMSA-N 0 0 542.060 7.271 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000006191018 552564594 /nfs/dbraw/zinc/56/45/94/552564594.db2.gz MAJBJCDXXDURDY-UHFFFAOYSA-N 0 0 564.314 7.177 50 30 KKEARN O=S(=O)(N/C(=N/C(=S)Nc1ccc(I)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000006198844 552570483 /nfs/dbraw/zinc/57/04/83/552570483.db2.gz MFYNFSLTNFBHFN-UHFFFAOYSA-N 0 0 555.850 5.067 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(N(C)C)c([N+](=O)[O-])c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000006245518 552574115 /nfs/dbraw/zinc/57/41/15/552574115.db2.gz JNGWWRXXCVSTBF-RUMWWMSVSA-N 0 0 565.682 5.803 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccccc3-c3ccccc3)c2C#N)cc1OC ZINC000006246011 552574627 /nfs/dbraw/zinc/57/46/27/552574627.db2.gz BGSOOPJVAGUVQQ-UHFFFAOYSA-N 0 0 571.702 8.011 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCC(C)CC3)n2)c1C ZINC000006443253 552585582 /nfs/dbraw/zinc/58/55/82/552585582.db2.gz KCGLRXRRTPXRLJ-OCSSWDANSA-N 0 0 516.049 6.828 50 30 KKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000006444455 552586949 /nfs/dbraw/zinc/58/69/49/552586949.db2.gz NHWMWPROTMZVLV-PMERELPUSA-N 0 0 506.646 6.817 50 30 KKEARN O=C(/C=C/c1ccccc1)c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000006445981 552588410 /nfs/dbraw/zinc/58/84/10/552588410.db2.gz NKUYCGFHJUTOAQ-WOJGMQOQSA-N 0 0 506.403 7.699 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O ZINC000006458522 552590107 /nfs/dbraw/zinc/59/01/07/552590107.db2.gz TZYGAODMCDIVER-BRJLIKDPSA-N 0 0 515.205 6.610 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1 ZINC000006473822 552591992 /nfs/dbraw/zinc/59/19/92/552591992.db2.gz JGSXDNJLMOPVGX-LQKURTRISA-N 0 0 526.944 6.626 50 30 KKEARN Clc1ccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1Cl ZINC000006473827 552592013 /nfs/dbraw/zinc/59/20/13/552592013.db2.gz LWNRIOWTNWCTPW-MUFRIFMGSA-N 0 0 516.392 7.372 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1sc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c1N)CCCC2 ZINC000006474227 552592407 /nfs/dbraw/zinc/59/24/07/552592407.db2.gz XPFXXKKWIZSJLT-UHFFFAOYSA-N 0 0 541.101 7.930 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006474497 552592691 /nfs/dbraw/zinc/59/26/91/552592691.db2.gz CASVHZCXTGQGFC-UHFFFAOYSA-N 0 0 502.568 6.555 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)c1 ZINC000006631321 552606489 /nfs/dbraw/zinc/60/64/89/552606489.db2.gz NHXOFBMRYZZUBL-NFMXCSJRSA-N 0 0 533.650 5.306 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000006844808 552974493 /nfs/dbraw/zinc/97/44/93/552974493.db2.gz UDWBMXSQHOHKOI-UHFFFAOYSA-N 0 0 645.972 7.659 50 30 KKEARN COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000006906939 552978623 /nfs/dbraw/zinc/97/86/23/552978623.db2.gz JJKCXBUHQWSOHQ-QXUDOOCXSA-N 0 0 529.552 7.732 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OCC ZINC000008034940 552983938 /nfs/dbraw/zinc/98/39/38/552983938.db2.gz QUVZKDZYEOYGKV-MHZLTWQESA-O 0 0 551.770 6.609 50 30 in-vitro KKEARN C=CCCCOc1cc(CCCCCCCC)ccc1C(=O)Oc1ccc(-c2ccc(OCCCCCCCCCCC)cc2)cc1 ZINC000008383575 552987151 /nfs/dbraw/zinc/98/71/51/552987151.db2.gz JNLKXRQHGBOITH-UHFFFAOYSA-N 0 0 640.949 12.730 50 30 KKEARN 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S=C(NCc1ccccc1)N/N=C/c1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 ZINC000008407590 553008563 /nfs/dbraw/zinc/00/85/63/553008563.db2.gz LELKESCSXOKUOP-STKMKYKTSA-N 0 0 510.707 6.766 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000008408067 553009460 /nfs/dbraw/zinc/00/94/60/553009460.db2.gz BKZOATSNGPEZNG-OGYQRLPCSA-N 0 0 580.507 7.704 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000008408105 553009492 /nfs/dbraw/zinc/00/94/92/553009492.db2.gz QUMHLGNSYSTZFC-BKGREXSKSA-N 0 0 501.611 6.941 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)cc(-c4ccc(OC)cc4)c3C#N)C2=O)cc1 ZINC000008412434 553010040 /nfs/dbraw/zinc/01/00/40/553010040.db2.gz YMTAJMBFRXVSMY-NDEPHWFRSA-N 0 0 535.625 6.119 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1 ZINC000008413028 553010088 /nfs/dbraw/zinc/01/00/88/553010088.db2.gz SCDAPQJOUAPADY-UHFFFAOYSA-N 0 0 516.544 7.194 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413436 553010160 /nfs/dbraw/zinc/01/01/60/553010160.db2.gz HMRCLSWYBFRGMV-JOCHJYFZSA-N 0 0 540.458 6.441 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000008413504 553010391 /nfs/dbraw/zinc/01/03/91/553010391.db2.gz OQCCAFUIDVCOFV-HXUWFJFHSA-N 0 0 517.221 5.213 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000008414813 553010566 /nfs/dbraw/zinc/01/05/66/553010566.db2.gz SGELMRWIGVQZGN-VKGTZQKMSA-N 0 0 530.571 5.982 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008415283 553010909 /nfs/dbraw/zinc/01/09/09/553010909.db2.gz DKTOXOHCBKFHHE-DCFHFQCYSA-N 0 0 520.526 6.845 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415408 553011078 /nfs/dbraw/zinc/01/10/78/553011078.db2.gz WTLSIDGZMZTWLR-XMMPIXPASA-N 0 0 532.006 6.668 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1Cl ZINC000008415832 553011385 /nfs/dbraw/zinc/01/13/85/553011385.db2.gz DWYWRKDKKQSIKV-OWAUWMPXSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000008416404 553012263 /nfs/dbraw/zinc/01/22/63/553012263.db2.gz GPCLOEKABHCKNH-NQHRYMMQSA-N 0 0 568.464 5.172 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CSc2cc(Cl)ccc2Cl)c(C)cc1C ZINC000008416710 553012270 /nfs/dbraw/zinc/01/22/70/553012270.db2.gz YVFHFKCISFJWJP-SANMLTNESA-N 0 0 544.544 7.680 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008425193 553015008 /nfs/dbraw/zinc/01/50/08/553015008.db2.gz YMESHVDZWNQEPS-XYFQYJLHSA-N 0 0 555.118 7.291 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000008425433 553015412 /nfs/dbraw/zinc/01/54/12/553015412.db2.gz 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COc1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)cc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008427066 553019359 /nfs/dbraw/zinc/01/93/59/553019359.db2.gz GRJNMNCDDWQCOR-FFVIWPAXSA-N 0 0 798.721 10.013 50 30 KKEARN Cc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000008427038 553019378 /nfs/dbraw/zinc/01/93/78/553019378.db2.gz IDSCHGBSMGJCNT-UHFFFAOYSA-N 0 0 649.301 6.432 50 30 KKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008427152 553019555 /nfs/dbraw/zinc/01/95/55/553019555.db2.gz MRDQSJXWOSFAHP-FRKPEAEDSA-N 0 0 536.500 5.904 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccccc2I)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000008427305 553019561 /nfs/dbraw/zinc/01/95/61/553019561.db2.gz FYZMIIHJJJHJSJ-GSLIJJQTSA-N 0 0 527.365 5.701 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)c(Br)c3n2)cc1 ZINC000008430655 553021993 /nfs/dbraw/zinc/02/19/93/553021993.db2.gz YXPMQSLOJDEPKW-HNNXBMFYSA-N 0 0 632.506 7.523 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000008431097 553022364 /nfs/dbraw/zinc/02/23/64/553022364.db2.gz GNUAFQNRAAFJAY-JENYEUDQSA-N 0 0 790.763 9.903 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008431388 553022896 /nfs/dbraw/zinc/02/28/96/553022896.db2.gz CTQDSJRNXOQIJW-RNPORBBMSA-N 0 0 630.748 5.284 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000008431440 553023201 /nfs/dbraw/zinc/02/32/01/553023201.db2.gz RHIDUAXFOVPNGG-LJAQVGFWSA-N 0 0 506.577 6.795 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008432048 553024944 /nfs/dbraw/zinc/02/49/44/553024944.db2.gz SDWHJFGRBQYUTC-YTTGMZPUSA-N 0 0 547.611 7.241 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432583 553026443 /nfs/dbraw/zinc/02/64/43/553026443.db2.gz APKQPVUXNMOUDN-WJOKGBTCSA-N 0 0 508.662 7.712 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008433084 553027998 /nfs/dbraw/zinc/02/79/98/553027998.db2.gz MLBISLNNBTVRAL-HFJWLAOPSA-N 0 0 560.494 7.177 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008433249 553028551 /nfs/dbraw/zinc/02/85/51/553028551.db2.gz CPGNKBXILRHJNY-QHCPKHFHSA-N 0 0 548.661 6.026 50 30 KKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OCC)cc3)n2)cc1 ZINC000008433416 553028768 /nfs/dbraw/zinc/02/87/68/553028768.db2.gz JMUPJLPCXBRZBO-UHFFFAOYSA-N 0 0 515.557 6.557 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433362 553028771 /nfs/dbraw/zinc/02/87/71/553028771.db2.gz RVQDZCVNAXEABN-VWLOTQADSA-N 0 0 560.672 6.408 50 30 KKEARN O=C(Nc1cc(OCC(F)(F)C(F)F)cc(Oc2ccccc2)c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008434971 553029598 /nfs/dbraw/zinc/02/95/98/553029598.db2.gz YECXISRFPLFGET-UHFFFAOYSA-N 0 0 605.470 7.134 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000008435336 553030286 /nfs/dbraw/zinc/03/02/86/553030286.db2.gz DIFKGOARGPRXGF-AJBULDERSA-N 0 0 537.417 7.928 50 30 KKEARN COc1cc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000008438246 553033558 /nfs/dbraw/zinc/03/35/58/553033558.db2.gz OIDQRBDWUYIXFN-URVOCPGOSA-N 0 0 630.592 7.817 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000008439983 553036498 /nfs/dbraw/zinc/03/64/98/553036498.db2.gz MUJOIYJTZIEIAT-UHFFFAOYSA-N 0 0 500.421 6.781 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008440144 553036755 /nfs/dbraw/zinc/03/67/55/553036755.db2.gz ROSBQSDPTMGMBC-HKBQPEDESA-N 0 0 622.699 7.074 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000008440580 553037891 /nfs/dbraw/zinc/03/78/91/553037891.db2.gz HEGZDHXSJVILOC-NDEPHWFRSA-N 0 0 619.738 6.970 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000008440722 553038414 /nfs/dbraw/zinc/03/84/14/553038414.db2.gz BYXSVDKDONZYMY-SKCUWOTOSA-N 0 0 505.611 5.035 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000008440930 553038853 /nfs/dbraw/zinc/03/88/53/553038853.db2.gz GNFCDUWNPKSYFP-HHHXNRCGSA-N 0 0 557.087 5.074 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000008441134 553039519 /nfs/dbraw/zinc/03/95/19/553039519.db2.gz WZEMWHBGBWIDDL-UHFFFAOYSA-N 0 0 507.659 7.324 50 30 KKEARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008441130 553039599 /nfs/dbraw/zinc/03/95/99/553039599.db2.gz BKNIOYNBEUNLCK-UHFFFAOYSA-N 0 0 569.708 7.076 50 30 KKEARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2Cl)c1C#N ZINC000008441195 553039794 /nfs/dbraw/zinc/03/97/94/553039794.db2.gz UGYFCMBTEZRJIO-UHFFFAOYSA-N 0 0 590.126 7.421 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)cc1OC ZINC000008441329 553040462 /nfs/dbraw/zinc/04/04/62/553040462.db2.gz HZELLLWWHZHUJP-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000008441521 553041182 /nfs/dbraw/zinc/04/11/82/553041182.db2.gz DOOBSWASLUVEGK-UHFFFAOYSA-N 0 0 525.630 6.434 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008441696 553041364 /nfs/dbraw/zinc/04/13/64/553041364.db2.gz YHRHIUTWRGBQNM-HHHXNRCGSA-N 0 0 554.624 6.850 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441657 553041501 /nfs/dbraw/zinc/04/15/01/553041501.db2.gz YZBWNPVAXCQESB-QHCPKHFHSA-N 0 0 545.414 6.896 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccccc2Br)c(C)s1 ZINC000008441681 553041510 /nfs/dbraw/zinc/04/15/10/553041510.db2.gz PLBOYXRLZAWAQJ-DEOSSOPVSA-N 0 0 530.484 6.175 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccccc2Cl)c(CC)s1 ZINC000008441772 553042275 /nfs/dbraw/zinc/04/22/75/553042275.db2.gz CSDNPNYGMOWZDL-AREMUKBSSA-N 0 0 514.087 6.710 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1Cl ZINC000008442428 553043698 /nfs/dbraw/zinc/04/36/98/553043698.db2.gz FSSWDVVUBFXMIY-VWLOTQADSA-N 0 0 635.926 6.699 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000008442963 553044735 /nfs/dbraw/zinc/04/47/35/553044735.db2.gz SICKUEWAUAZJEE-WYHRAMJMSA-N 0 0 527.580 6.111 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008443008 553045113 /nfs/dbraw/zinc/04/51/13/553045113.db2.gz DBSDPBAJBIBERJ-UHFFFAOYSA-N 0 0 604.368 8.735 50 30 KKEARN COc1cc(/C=N/N(C)c2ccccc2)ccc1Oc1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000008443138 553045324 /nfs/dbraw/zinc/04/53/24/553045324.db2.gz NRIVFQYZGHONTL-UZWMFBFFSA-N 0 0 540.461 7.879 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000008443910 553048426 /nfs/dbraw/zinc/04/84/26/553048426.db2.gz WWGKPILAYPDWOI-LJAQVGFWSA-N 0 0 501.026 6.734 50 30 KKEARN COc1cc(/C=C2\CC/C(=C\c3cc(OC)c(OC(C)C)cc3Br)C2=O)c(Br)cc1OC(C)C ZINC000008444029 553048984 /nfs/dbraw/zinc/04/89/84/553048984.db2.gz PZPMHYPPGULAQA-BEQMOXJMSA-N 0 0 594.340 7.633 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)cn3)sc2C1 ZINC000008444043 553049062 /nfs/dbraw/zinc/04/90/62/553049062.db2.gz UNFAFXYORJLELF-VQTJNVASSA-N 0 0 599.826 7.755 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000008444126 553049324 /nfs/dbraw/zinc/04/93/24/553049324.db2.gz JEEHTRCHNXMPPE-UKZNZPTOSA-N 0 0 576.696 8.480 50 30 KKEARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444113 553049329 /nfs/dbraw/zinc/04/93/29/553049329.db2.gz HWUCENKIUWAWJC-QCBOHVIISA-N 0 0 544.651 7.308 50 30 KKEARN CCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444104 553049336 /nfs/dbraw/zinc/04/93/36/553049336.db2.gz KUHFNBIQGOQYCS-WJVKJDHCSA-N 0 0 542.679 8.080 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(OCCCC)cc1 ZINC000008444122 553049343 /nfs/dbraw/zinc/04/93/43/553049343.db2.gz OFOHPAPSTLYCEX-JCVFDAPQSA-N 0 0 536.716 8.346 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000008444288 553049741 /nfs/dbraw/zinc/04/97/41/553049741.db2.gz AKUZEUWCKMSTDI-WGOQTCKBSA-N 0 0 640.930 7.967 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444418 553050358 /nfs/dbraw/zinc/05/03/58/553050358.db2.gz GUCNKWSFXQPOMB-CVYDZTKKSA-N 0 0 541.695 7.747 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)sc2C1 ZINC000008444629 553051025 /nfs/dbraw/zinc/05/10/25/553051025.db2.gz GHPJDJVJNGRXQL-OAHLLOKOSA-N 0 0 644.432 6.244 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008444759 553051487 /nfs/dbraw/zinc/05/14/87/553051487.db2.gz CWTVXTCNKMQQQO-GRXWAMFVSA-N 0 0 805.407 5.597 50 30 KKEARN C=CCOc1ccccc1CN=Nc1nc(Cl)c(Cl)c(SC(F)(F)C(F)(F)F)c1Cl ZINC000008444748 553051524 /nfs/dbraw/zinc/05/15/24/553051524.db2.gz UABWGZNMDPWBDG-MWRNPHMMSA-N 0 0 506.711 7.300 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000008445026 553052854 /nfs/dbraw/zinc/05/28/54/553052854.db2.gz NLRQTCDMNVYRMV-GPNASLBKSA-N 0 0 523.633 7.384 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000008445419 553054474 /nfs/dbraw/zinc/05/44/74/553054474.db2.gz NMDNETTXHPHNBL-QHCPKHFHSA-N 0 0 528.424 5.565 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000008445809 553054908 /nfs/dbraw/zinc/05/49/08/553054908.db2.gz KSAWQYRWWMQIML-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)cc1OC ZINC000008445784 553054929 /nfs/dbraw/zinc/05/49/29/553054929.db2.gz RBWVSORVNYLNPG-UHFFFAOYSA-N 0 0 571.702 8.070 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N ZINC000008446084 553055325 /nfs/dbraw/zinc/05/53/25/553055325.db2.gz PPXLQTHVYFQDCL-UHFFFAOYSA-N 0 0 507.659 7.151 50 30 KKEARN CCCCCCCCCCOC(=O)CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449107 553056984 /nfs/dbraw/zinc/05/69/84/553056984.db2.gz JDQYLVYYRXZPHS-LNZWSYKSSA-N 0 0 529.721 7.123 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000008449659 553057459 /nfs/dbraw/zinc/05/74/59/553057459.db2.gz TURRGDBRPLVPPO-UVFUEVNMSA-N 0 0 614.580 7.887 50 30 KKEARN COc1ccc2nc(NC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008450322 553058046 /nfs/dbraw/zinc/05/80/46/553058046.db2.gz SFCSVQJQXPAANP-DEOSSOPVSA-N 0 0 533.650 5.565 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000008450327 553058053 /nfs/dbraw/zinc/05/80/53/553058053.db2.gz WTGIIJJQAMZKGT-LYZGTLIUSA-N 0 0 661.627 7.365 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1C(N)=O ZINC000008450380 553058336 /nfs/dbraw/zinc/05/83/36/553058336.db2.gz FTWDDMKRXIITOH-GDLZYMKVSA-N 0 0 580.685 5.319 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1ccc(C)cc1 ZINC000008450369 553058366 /nfs/dbraw/zinc/05/83/66/553058366.db2.gz DIYKFGDQOQTWDL-PMERELPUSA-N 0 0 539.701 6.606 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008450858 553059456 /nfs/dbraw/zinc/05/94/56/553059456.db2.gz 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553060059 /nfs/dbraw/zinc/06/00/59/553060059.db2.gz KEWRMGIQJFTKKE-UHFFFAOYSA-N 0 0 504.662 6.694 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000008451011 553060109 /nfs/dbraw/zinc/06/01/09/553060109.db2.gz XCHPUCKORQXWOG-UHFFFAOYSA-N 0 0 536.582 5.850 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000008451159 553060351 /nfs/dbraw/zinc/06/03/51/553060351.db2.gz OCZWYFYOJBDZIS-UHFFFAOYSA-N 0 0 590.605 5.805 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000008451160 553060355 /nfs/dbraw/zinc/06/03/55/553060355.db2.gz DEGMSISJHUNBRO-UHFFFAOYSA-N 0 0 531.600 5.833 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(-c3ccsc3)c1C#N)CCCC2 ZINC000008451138 553060369 /nfs/dbraw/zinc/06/03/69/553060369.db2.gz AWGCIJRYASNPHZ-UHFFFAOYSA-N 0 0 565.767 7.258 50 30 KKEARN CCOC(=O)c1sc(NC(=O)c2sc3nc(C(C)(C)C)cc(C(F)(F)F)c3c2N)c(C#N)c1C ZINC000008451251 553060544 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COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1 ZINC000008454701 553069529 /nfs/dbraw/zinc/06/95/29/553069529.db2.gz ACZOJDSSONXVNU-ONKSFYRLSA-N 0 0 526.652 7.450 50 30 KKEARN CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)sc(C)c1-c1ccc(F)cc1 ZINC000008454792 553069795 /nfs/dbraw/zinc/06/97/95/553069795.db2.gz CQXNHAFPJQMHII-UHFFFAOYSA-N 0 0 707.402 8.690 50 30 KKEARN CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008454791 553069840 /nfs/dbraw/zinc/06/98/40/553069840.db2.gz GDJBKPCUDNWCCD-UHFFFAOYSA-N 0 0 731.493 9.540 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455742 553073400 /nfs/dbraw/zinc/07/34/00/553073400.db2.gz ONDJKFDKJMMEOH-DWXRJYCRSA-N 0 0 510.943 7.111 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N3)CCCC2 ZINC000008455846 553073979 /nfs/dbraw/zinc/07/39/79/553073979.db2.gz 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/nfs/dbraw/zinc/07/53/81/553075381.db2.gz NNAIVJVQMROIGT-UHFFFAOYSA-N 0 0 647.893 6.407 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008461830 553075448 /nfs/dbraw/zinc/07/54/48/553075448.db2.gz XTFZROMLXABOIF-UHFFFAOYSA-N 0 0 614.920 6.955 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000008492891 553076071 /nfs/dbraw/zinc/07/60/71/553076071.db2.gz LLUVJCAGIPHZAK-RUMWWMSVSA-N 0 0 564.134 5.927 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1cccc2ccccc21 ZINC000008492966 553076094 /nfs/dbraw/zinc/07/60/94/553076094.db2.gz VVXKGEQBQSMCBR-BIZUNTBRSA-N 0 0 602.537 6.021 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000008553649 553077788 /nfs/dbraw/zinc/07/77/88/553077788.db2.gz PNJOHYATWKXHHG-WJOKGBTCSA-N 0 0 547.607 5.858 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000008555925 553077809 /nfs/dbraw/zinc/07/78/09/553077809.db2.gz OFYMCZPFJIDRBI-HKBQPEDESA-N 0 0 548.639 6.996 50 30 KKEARN O=C(Nc1ccccc1Cl)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008576579 553078382 /nfs/dbraw/zinc/07/83/82/553078382.db2.gz IVWJAPWUSPRSNC-UHFFFAOYSA-N 0 0 578.018 5.856 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1N1C(=O)ON(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl ZINC000008616547 553102522 /nfs/dbraw/zinc/10/25/22/553102522.db2.gz UTQUKMIOXGKULL-QHCPKHFHSA-N 0 0 569.659 8.994 50 30 KKEARN Cc1cc(Sc2nc(N[C@](C)(C#N)C(C)C)nc(Sc3cc(C)c(Cl)cc3Cl)n2)c(Cl)cc1Cl ZINC000008626712 553104168 /nfs/dbraw/zinc/10/41/68/553104168.db2.gz IFLDVRCASKENNY-HSZRJFAPSA-N 0 0 573.402 8.755 50 30 KKEARN C=CCN(c1ccccc1C1=N/C(=C\c2cccc(Cl)c2)C(=O)O1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008626802 553104197 /nfs/dbraw/zinc/10/41/97/553104197.db2.gz RKBMAWNXNCJTQV-JWGURIENSA-N 0 0 513.402 5.719 50 30 KKEARN COc1ccc(-n2c(=O)c3c(nc2N/N=C/c2ccc4c(c2)OCO4)-c2ccccc2CC32CCCCC2)cc1 ZINC000008664874 553108904 /nfs/dbraw/zinc/10/89/04/553108904.db2.gz PDUZIXXPAOTYEE-HNSNBQBZSA-N 0 0 534.616 5.841 50 30 KKEARN C=CCCc1ccc(C#N)c(SCc2c(C(=O)OCC)c3cc(OC(C)=O)c(Br)cc3n2C)n1 ZINC000008691677 553117646 /nfs/dbraw/zinc/11/76/46/553117646.db2.gz WTCPGENTHGBTOT-UHFFFAOYSA-N 0 0 542.455 5.720 50 30 aggregator KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(F)cc23)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695157 553120931 /nfs/dbraw/zinc/12/09/31/553120931.db2.gz PRUMAWDXBMQJJB-GXVXDJONSA-N 0 0 544.586 6.155 50 30 KKEARN CCCCc1ccc2[nH]cc(CCNC(c3ccc(C)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695161 553121161 /nfs/dbraw/zinc/12/11/61/553121161.db2.gz CQONTOHUPSDANH-ICKFRXAFSA-N 0 0 596.731 7.667 50 30 KKEARN COc1ccc(C(NCCc2c(C)[nH]c3ccc(OC)cc32)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695175 553121182 /nfs/dbraw/zinc/12/11/82/553121182.db2.gz VOLJCZDRUBSZQO-FJSCPDHXSA-N 0 0 600.675 6.342 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3cccs3)C2)cc1 ZINC000008695559 553121857 /nfs/dbraw/zinc/12/18/57/553121857.db2.gz WZCNTSYCLMAYNZ-ADSBAMQRSA-N 0 0 590.532 8.670 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695594 553122199 /nfs/dbraw/zinc/12/21/99/553122199.db2.gz XLYVPGQDWMIFQM-UKJJDJLKSA-N 0 0 519.044 7.863 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008695630 553122399 /nfs/dbraw/zinc/12/23/99/553122399.db2.gz PLPGDHBJMHHZGN-JEHQLEFQSA-N 0 0 614.739 7.211 50 30 KKEARN Cc1c(N2C(=S)N=C(N[C@H](c3ccc(Cl)cc3)c3cccc(Cl)c3)C23CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000008712224 553126205 /nfs/dbraw/zinc/12/62/05/553126205.db2.gz AJNBCWAEPNLYQT-HHHXNRCGSA-N 0 0 604.607 7.377 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008738387 553130749 /nfs/dbraw/zinc/13/07/49/553130749.db2.gz BROLIOGUOXDCII-VWLOTQADSA-N 0 0 514.603 6.022 50 30 KKEARN Fc1ccccc1Cn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21 ZINC000008741302 553132880 /nfs/dbraw/zinc/13/28/80/553132880.db2.gz ZPNUVNWOJBPYJQ-ZCTHSVRISA-N 0 0 512.637 5.440 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008742535 553133260 /nfs/dbraw/zinc/13/32/60/553133260.db2.gz JBWYPAQFZYNKQX-DEOSSOPVSA-N 0 0 518.566 5.798 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000008753221 553135451 /nfs/dbraw/zinc/13/54/51/553135451.db2.gz JZKNWYQIRMPUSI-HOYUZMNJSA-N 0 0 616.758 8.224 50 30 KKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008753544 553135826 /nfs/dbraw/zinc/13/58/26/553135826.db2.gz MRNQFVPVGAIMDO-JGCGQSQUSA-N 0 0 573.133 8.117 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccccc2C)cc1 ZINC000008754541 553135888 /nfs/dbraw/zinc/13/58/88/553135888.db2.gz LXHLBLZMOQTVQM-HSZRJFAPSA-N 0 0 512.631 5.309 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccc(Cl)cc4Cl)nc4ccccn43)o2)c(Cl)c1 ZINC000008763906 553137767 /nfs/dbraw/zinc/13/77/67/553137767.db2.gz KTKQANWPQYHHME-XODNFHPESA-N 0 0 511.752 7.880 50 30 KKEARN CCC(=C(O)NC(Nc1cccc(C)c1)=[NH+]c1nc(=O)cc(CSc2ccc(Cl)cc2)[n-]1)c1ccccc1 ZINC000008767601 553139758 /nfs/dbraw/zinc/13/97/58/553139758.db2.gz ARCRJNQDWCFCJO-VWLOTQADSA-N 0 0 546.096 7.037 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008779314 553143982 /nfs/dbraw/zinc/14/39/82/553143982.db2.gz SZARSLYGYBUVLZ-FQEVSTJZSA-N 0 0 522.648 5.936 50 30 KKEARN O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccc(Cl)c(Cl)c1 ZINC000008782147 553144759 /nfs/dbraw/zinc/14/47/59/553144759.db2.gz TYPQLJOWBUKDNH-KKMKTNMSSA-N 0 0 504.826 7.093 50 30 KKEARN O=C(N=CNNc1ccccc1Cl)[C@@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000008781910 553144766 /nfs/dbraw/zinc/14/47/66/553144766.db2.gz SOKALFJPMJFQLR-SFHVURJKSA-N 0 0 501.723 6.364 50 30 KKEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C(C)C)cc3)N2C1=O ZINC000008791059 553146828 /nfs/dbraw/zinc/14/68/28/553146828.db2.gz PDWOXRMQCPCZML-LMSSTIIKSA-N 0 0 518.617 5.690 50 30 biogenic KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)S/C1=N/c1ccccc1 ZINC000008826751 553156395 /nfs/dbraw/zinc/15/63/95/553156395.db2.gz BPEPJRKTMHLCKZ-GLVFWTRYSA-N 0 0 506.627 7.217 50 30 KKEARN Cc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)sc2-c2ccccc2)cc1 ZINC000008830342 553157891 /nfs/dbraw/zinc/15/78/91/553157891.db2.gz CABNUFDRVIKCDR-UHFFFAOYSA-N 0 0 555.685 5.856 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 ZINC000008834050 553160576 /nfs/dbraw/zinc/16/05/76/553160576.db2.gz BOEZLUDLMLEABC-UHFFFAOYSA-N 0 0 503.649 5.430 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008836991 553163453 /nfs/dbraw/zinc/16/34/53/553163453.db2.gz LCTVLKBDYNETHP-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2C2CCCCC2)cc1 ZINC000008843291 553165289 /nfs/dbraw/zinc/16/52/89/553165289.db2.gz BJVPZMQBDLYVFA-BZUZNSEFSA-N 0 0 522.740 6.848 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845734 553165725 /nfs/dbraw/zinc/16/57/25/553165725.db2.gz FVGXIPKEBQJGLU-UPCLLVRISA-N 0 0 519.623 5.522 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008845780 553165814 /nfs/dbraw/zinc/16/58/14/553165814.db2.gz JUIZRAMVRAFVMG-RUZDIDTESA-N 0 0 512.587 5.822 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000008846635 553166309 /nfs/dbraw/zinc/16/63/09/553166309.db2.gz DBOABUYSCPZZAG-UDNBHOFDSA-N 0 0 512.625 7.315 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000008846798 553166602 /nfs/dbraw/zinc/16/66/02/553166602.db2.gz NNWMFSOQZGQOOM-XBBWARJSSA-N 0 0 530.621 6.099 50 30 KKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000008846804 553166623 /nfs/dbraw/zinc/16/66/23/553166623.db2.gz FHVILIARPGRYJM-WRGVRERRSA-N 0 0 514.622 6.481 50 30 KKEARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000008854676 553166823 /nfs/dbraw/zinc/16/68/23/553166823.db2.gz WZMBBLZMNFNRES-HHHXNRCGSA-N 0 0 509.403 6.786 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000008853667 553166843 /nfs/dbraw/zinc/16/68/43/553166843.db2.gz FRECPZYMNWFZPK-BKGREXSKSA-N 0 0 524.617 7.218 50 30 KKEARN COc1ccc(/C=N/n2c(/N=C/c3cc(Cl)ccc3O)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008856880 553167834 /nfs/dbraw/zinc/16/78/34/553167834.db2.gz FHFXXKAPNFEEGD-PBTKGXEFSA-N 0 0 506.993 7.218 50 30 KKEARN Cc1ccc(CO/N=C/[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H](/C=N\OCc3ccc(C)cc3)C2=O)cc1 ZINC000008857392 553168090 /nfs/dbraw/zinc/16/80/90/553168090.db2.gz ZCEWUNRDMDCCAA-KMPSONOUSA-N 0 0 514.582 5.238 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000008859253 553169285 /nfs/dbraw/zinc/16/92/85/553169285.db2.gz BBBPETDPTQIHRC-OOAXWGSJSA-N 0 0 519.597 7.628 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008859673 553169811 /nfs/dbraw/zinc/16/98/11/553169811.db2.gz OTOYMTUVLKVGOQ-XMMPIXPASA-N 0 0 509.990 5.003 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(Cl)c1 ZINC000008872306 553172945 /nfs/dbraw/zinc/17/29/45/553172945.db2.gz QPBSHGWNSSSRHW-ATZGPIRCSA-N 0 0 635.353 8.453 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)c2)c(Cl)c1 ZINC000008872309 553172962 /nfs/dbraw/zinc/17/29/62/553172962.db2.gz VYCRVBTUBLGKAD-KCSSXMTESA-N 0 0 556.457 7.691 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Br)cc3)c(OC)c2)SC1=S ZINC000008872424 553173344 /nfs/dbraw/zinc/17/33/44/553173344.db2.gz HZEVENMPXUTDSJ-ZHZULCJRSA-N 0 0 506.443 5.303 50 30 KKEARN Cc1ccccc1Nc1nc(N=NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008872640 553173787 /nfs/dbraw/zinc/17/37/87/553173787.db2.gz LQHLLNUKUYYJIG-LQKURTRISA-N 0 0 551.523 6.190 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Cl)ccc3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872830 553174350 /nfs/dbraw/zinc/17/43/50/553174350.db2.gz RYCKZBPTKFDFCM-LGJNPRDNSA-N 0 0 504.938 5.689 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(OC)c(O)cc3Br)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008872990 553174590 /nfs/dbraw/zinc/17/45/90/553174590.db2.gz DIXQFXURYBSCBY-BIZUNTBRSA-N 0 0 618.536 6.006 50 30 KKEARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(C#N)cc2)c1Sc1ccc(Br)cc1 ZINC000008887981 553176144 /nfs/dbraw/zinc/17/61/44/553176144.db2.gz WVGWKZQPALACPB-UHFFFAOYSA-N 0 0 504.409 6.229 50 30 KKEARN CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2F)cc1 ZINC000008892218 553176546 /nfs/dbraw/zinc/17/65/46/553176546.db2.gz OFPQCFFONIGVDK-PMERELPUSA-N 0 0 512.625 7.461 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894603 553177639 /nfs/dbraw/zinc/17/76/39/553177639.db2.gz KXMMZJMRNFOSEM-QHCPKHFHSA-N 0 0 502.617 6.268 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cccc(C)c3C)c(OCC)c2)SC1=S ZINC000008916015 553186568 /nfs/dbraw/zinc/18/65/68/553186568.db2.gz WVRVQJQUJVFWFF-XQNSMLJCSA-N 0 0 518.100 6.591 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC ZINC000008916891 553186791 /nfs/dbraw/zinc/18/67/91/553186791.db2.gz DRNCZVLJDCPAIQ-NDEPHWFRSA-N 0 0 513.663 6.717 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008916514 553186801 /nfs/dbraw/zinc/18/68/01/553186801.db2.gz WLBTWEJSMDEORT-MNNSJKJDSA-N 0 0 520.069 6.976 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3OC)C4=O)c2c1 ZINC000008917941 553187338 /nfs/dbraw/zinc/18/73/38/553187338.db2.gz MDFHGFZOSWDCEW-NTFVMDSBSA-N 0 0 518.521 6.952 50 30 biogenic KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008919873 553188977 /nfs/dbraw/zinc/18/89/77/553188977.db2.gz LGZNTVXRJLZVIO-QHCPKHFHSA-N 0 0 500.576 5.713 50 30 KKEARN C=CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000008934557 553192971 /nfs/dbraw/zinc/19/29/71/553192971.db2.gz ROXPFWSXKBQCNW-GOSISDBHSA-N 0 0 518.228 6.756 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000008951409 553193548 /nfs/dbraw/zinc/19/35/48/553193548.db2.gz IGMUVMWWKMYOIT-HMHIXTCJSA-N 0 0 501.033 5.894 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008974004 553195434 /nfs/dbraw/zinc/19/54/34/553195434.db2.gz RINCIRYZDTZFCP-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973763 553195484 /nfs/dbraw/zinc/19/54/84/553195484.db2.gz KGTNDQIIUPTCBM-XMMPIXPASA-N 0 0 516.594 6.524 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008973994 553195542 /nfs/dbraw/zinc/19/55/42/553195542.db2.gz OLKZDBSCVRGNAY-AREMUKBSSA-N 0 0 512.631 6.828 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc([C@@H](C)CC)cc3)c(OCC)c2)SC1=S ZINC000008984994 553196394 /nfs/dbraw/zinc/19/63/94/553196394.db2.gz CWIVUJWMDOQMCV-HOIQBIFOSA-N 0 0 511.709 6.834 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000008986386 553196576 /nfs/dbraw/zinc/19/65/76/553196576.db2.gz ZHLQNWLXSHCYOT-JGCGQSQUSA-N 0 0 514.625 7.932 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccc(Br)cc3)c2C#N)cc1 ZINC000008989969 553196802 /nfs/dbraw/zinc/19/68/02/553196802.db2.gz VQOMPKXQYBCIGQ-UHFFFAOYSA-N 0 0 515.432 7.033 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008996378 553197159 /nfs/dbraw/zinc/19/71/59/553197159.db2.gz WLTPDUXEROEQHU-AREMUKBSSA-N 0 0 526.658 7.002 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000008996430 553197187 /nfs/dbraw/zinc/19/71/87/553197187.db2.gz YHAIFBPUVNAOHU-MUUNZHRXSA-N 0 0 530.621 5.755 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008996883 553197463 /nfs/dbraw/zinc/19/74/63/553197463.db2.gz HYNKNKVRGWVTCC-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996558 553197468 /nfs/dbraw/zinc/19/74/68/553197468.db2.gz XMAMXRICPKMTAR-DEOSSOPVSA-N 0 0 502.592 6.332 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009007489 553198129 /nfs/dbraw/zinc/19/81/29/553198129.db2.gz WIHYQSAEIYTZAM-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009008056 553198468 /nfs/dbraw/zinc/19/84/68/553198468.db2.gz JOADRHRSTYFYRF-HSZRJFAPSA-N 0 0 518.566 5.852 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(CC)cc2)cc1C ZINC000009019243 553200963 /nfs/dbraw/zinc/20/09/63/553200963.db2.gz YMJNLLRXTZBXHH-MUUNZHRXSA-N 0 0 520.670 5.037 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000009019389 553201018 /nfs/dbraw/zinc/20/10/18/553201018.db2.gz GUBSBQRJOMKBQO-RUZDIDTESA-N 0 0 501.539 5.112 50 30 KKEARN CCCOc1ccccc1[C@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)CC)[C@@H]2c2ccc(OC)cc2)C1 ZINC000009041893 553202531 /nfs/dbraw/zinc/20/25/31/553202531.db2.gz MJHZXZCGVYCEKR-APYJYERMSA-N 0 0 510.634 6.795 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000009042780 553202703 /nfs/dbraw/zinc/20/27/03/553202703.db2.gz BTGWDUSLBBLADA-UKILVPOCSA-N 0 0 506.356 6.164 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009042981 553202893 /nfs/dbraw/zinc/20/28/93/553202893.db2.gz SVQZMNGXLYOHDQ-GDJIYFAZSA-N 0 0 501.970 6.559 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 ZINC000009043434 553202906 /nfs/dbraw/zinc/20/29/06/553202906.db2.gz LXGHNPOMJXIZJG-LGGPFLRQSA-N 0 0 505.530 6.402 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000009043444 553202913 /nfs/dbraw/zinc/20/29/13/553202913.db2.gz JRSVMWNODKEFHB-HZVWYJMBSA-N 0 0 508.043 6.126 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000009057827 553204902 /nfs/dbraw/zinc/20/49/02/553204902.db2.gz TXDKRWZQCFVRSL-CRICUBBOSA-N 0 0 514.906 6.942 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009065493 553205900 /nfs/dbraw/zinc/20/59/00/553205900.db2.gz ZQACNVBXLYLHJI-SMSORMJASA-N 0 0 526.589 5.411 50 30 biogenic KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009070704 553207043 /nfs/dbraw/zinc/20/70/43/553207043.db2.gz CSGZZEJNKNOSQS-HSZRJFAPSA-N 0 0 504.995 6.440 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 ZINC000009075914 553207531 /nfs/dbraw/zinc/20/75/31/553207531.db2.gz FRTOFBCQWJKTOP-MLNTVTBVSA-N 0 0 507.587 5.046 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009082811 553208110 /nfs/dbraw/zinc/20/81/10/553208110.db2.gz DCMFSNKEJDFFFC-SSEXGKCCSA-N 0 0 524.734 7.546 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000009086036 553208261 /nfs/dbraw/zinc/20/82/61/553208261.db2.gz LRSFLGOEPFAOSG-DEOSSOPVSA-N 0 0 521.411 5.718 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009086236 553208342 /nfs/dbraw/zinc/20/83/42/553208342.db2.gz CROVBIHRKCGPPR-RUZDIDTESA-N 0 0 501.539 5.112 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2I)cc1 ZINC000009113747 553210734 /nfs/dbraw/zinc/21/07/34/553210734.db2.gz IHVIXZSGKOQBPH-HFJWLAOPSA-N 0 0 506.387 6.579 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2I)cc1 ZINC000009113743 553210816 /nfs/dbraw/zinc/21/08/16/553210816.db2.gz IHVIXZSGKOQBPH-QYBDOPJKSA-N 0 0 506.387 6.579 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009123681 553212607 /nfs/dbraw/zinc/21/26/07/553212607.db2.gz RJCJFORACHZHIS-RUZDIDTESA-N 0 0 512.631 6.694 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124465 553212796 /nfs/dbraw/zinc/21/27/96/553212796.db2.gz CQGJLYZALSCQQT-CPJLOUKISA-N 0 0 512.587 5.725 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124400 553212804 /nfs/dbraw/zinc/21/28/04/553212804.db2.gz NCJOJARWCHXDDD-LFPIHBKWSA-N 0 0 516.550 5.550 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124625 553212987 /nfs/dbraw/zinc/21/29/87/553212987.db2.gz IYVQHWRGNQWVKH-BXKMTCNYSA-N 0 0 504.608 5.674 50 30 KKEARN CCOc1cc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)ccc1OC(F)F ZINC000009129090 553213046 /nfs/dbraw/zinc/21/30/46/553213046.db2.gz BFHGTAUYSITZLU-HXUWFJFHSA-N 0 0 525.592 6.344 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000009158159 553214930 /nfs/dbraw/zinc/21/49/30/553214930.db2.gz HSUBJHJXBSGDKU-ZYVHIHPKSA-N 0 0 513.557 6.123 50 30 KKEARN Clc1ccc2nc(N=NC3=CC(c4ccccc4)C[C@@H](c4ccccc4)C3)nc(-c3ccccc3)c2c1 ZINC000009170309 553215938 /nfs/dbraw/zinc/21/59/38/553215938.db2.gz SUQKUGYREMIPPN-XTMRVBCGSA-N 0 0 501.033 8.379 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009175194 553216084 /nfs/dbraw/zinc/21/60/84/553216084.db2.gz ZKKXUEZSGRZORB-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009174104 553216168 /nfs/dbraw/zinc/21/61/68/553216168.db2.gz NYRIFOCMIYJKQT-RUZDIDTESA-N 0 0 512.631 6.775 50 30 KKEARN Clc1ccccc1/C=N/OCc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 ZINC000009185497 553217259 /nfs/dbraw/zinc/21/72/59/553217259.db2.gz LLYPXTDJSQTQOH-SPFJJUEISA-N 0 0 517.976 6.768 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009186768 553217877 /nfs/dbraw/zinc/21/78/77/553217877.db2.gz DUZRZWNDQMQIPG-AREMUKBSSA-N 0 0 526.658 7.084 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009210434 553220856 /nfs/dbraw/zinc/22/08/56/553220856.db2.gz DYOSUTCJOWPPFV-QHCPKHFHSA-N 0 0 507.384 5.410 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000009216266 553221725 /nfs/dbraw/zinc/22/17/25/553221725.db2.gz SWTJVHRUCKREOH-AHKZPQOWSA-N 0 0 505.412 6.655 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009234320 553224884 /nfs/dbraw/zinc/22/48/84/553224884.db2.gz NXRCHPFVROCBDH-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009240272 553226058 /nfs/dbraw/zinc/22/60/58/553226058.db2.gz GWRDQZGATBFFGY-VWLOTQADSA-N 0 0 501.539 5.256 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009240247 553226152 /nfs/dbraw/zinc/22/61/52/553226152.db2.gz BVBMKQTZNWAUMV-QHCPKHFHSA-N 0 0 505.368 5.187 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000009246318 553227314 /nfs/dbraw/zinc/22/73/14/553227314.db2.gz VSDAHFVVICLRCL-MNNSJKJDSA-N 0 0 519.638 5.807 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009246705 553227321 /nfs/dbraw/zinc/22/73/21/553227321.db2.gz WGVUHSVAFYEZBA-WBBHLRKXSA-N 0 0 515.569 6.809 50 30 KKEARN Cc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009264250 553228802 /nfs/dbraw/zinc/22/88/02/553228802.db2.gz MYPYBFFKDKTOND-JRPXNJEYSA-N 0 0 524.020 7.848 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000009270931 553230446 /nfs/dbraw/zinc/23/04/46/553230446.db2.gz NERHQMWLRVKWAK-JOCHJYFZSA-N 0 0 520.607 5.291 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009272060 553231496 /nfs/dbraw/zinc/23/14/96/553231496.db2.gz AHEMWIXKWGLZNO-DWXRJYCRSA-N 0 0 510.487 6.297 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000009272958 553232004 /nfs/dbraw/zinc/23/20/04/553232004.db2.gz OYDYPSUHPREPEQ-VWLOTQADSA-N 0 0 501.539 5.112 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009282085 553233854 /nfs/dbraw/zinc/23/38/54/553233854.db2.gz OIFJOOXAMXGJLT-FFWFIYGGSA-N 0 0 513.561 5.455 50 30 KKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000009288581 553234247 /nfs/dbraw/zinc/23/42/47/553234247.db2.gz MADFWSGOEIYIOM-JOCHJYFZSA-N 0 0 501.435 5.901 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009291424 553234683 /nfs/dbraw/zinc/23/46/83/553234683.db2.gz KBFQKSHIIIIFQA-NGOKVRLYSA-N 0 0 512.606 5.753 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292224 553234807 /nfs/dbraw/zinc/23/48/07/553234807.db2.gz IXMSPMNVOYHCLU-OYLFLEFRSA-N 0 0 516.619 5.884 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292580 553235131 /nfs/dbraw/zinc/23/51/31/553235131.db2.gz SERRJOYAMJLVNS-JBEBIEQOSA-N 0 0 516.550 5.550 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009292459 553235146 /nfs/dbraw/zinc/23/51/46/553235146.db2.gz QHENEMAXFPOTIF-LMKMVOKYSA-N 0 0 512.587 5.720 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000009292958 553235252 /nfs/dbraw/zinc/23/52/52/553235252.db2.gz IEMPKXQZUACFQY-DFXYEROKSA-N 0 0 517.581 6.581 50 30 KKEARN COc1ccc(CCNc2c(Cc3ccc(Cl)cc3)c(C)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000009308537 553237441 /nfs/dbraw/zinc/23/74/41/553237441.db2.gz ZXNVMDAJGSRLOK-UHFFFAOYSA-N 0 0 511.025 6.584 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009308714 553237719 /nfs/dbraw/zinc/23/77/19/553237719.db2.gz FFLWWJSHRIQDMK-WGDIFIGCSA-N 0 0 510.615 6.273 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308700 553237735 /nfs/dbraw/zinc/23/77/35/553237735.db2.gz OADZQRTUGGJEIW-OYLFLEFRSA-N 0 0 513.575 5.196 50 30 KKEARN O=C1c2ccccc2C(=O)C(N2CCC(Cc3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000009310197 553238769 /nfs/dbraw/zinc/23/87/69/553238769.db2.gz ZBGRPBGLOKRKHP-JVCXMKTPSA-N 0 0 521.038 5.548 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009311981 553239945 /nfs/dbraw/zinc/23/99/45/553239945.db2.gz RZBNNVBQYPHSMS-XRHLQHRESA-N 0 0 517.578 5.569 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009312654 553240414 /nfs/dbraw/zinc/24/04/14/553240414.db2.gz WQHBEEBJFSUHEE-WINIVTDRSA-N 0 0 523.626 5.202 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009312651 553240449 /nfs/dbraw/zinc/24/04/49/553240449.db2.gz WQHBEEBJFSUHEE-UZTOHYMASA-N 0 0 523.626 5.202 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000009312627 553240493 /nfs/dbraw/zinc/24/04/93/553240493.db2.gz PEPDSEOWSIUHSJ-FYSMJZIKSA-N 0 0 504.380 5.551 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000009312626 553240501 /nfs/dbraw/zinc/24/05/01/553240501.db2.gz PEPDSEOWSIUHSJ-GYCJOSAFSA-N 0 0 504.380 5.551 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009313146 553240921 /nfs/dbraw/zinc/24/09/21/553240921.db2.gz ZMAOLLWTTOFNOK-WHLCRQNOSA-N 0 0 513.590 5.238 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009313147 553240979 /nfs/dbraw/zinc/24/09/79/553240979.db2.gz ZMAOLLWTTOFNOK-GDJIYFAZSA-N 0 0 513.590 5.238 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009318991 553241384 /nfs/dbraw/zinc/24/13/84/553241384.db2.gz CWGLHFVUPUMWRC-WENCNXQZSA-N 0 0 527.577 5.923 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009328950 553242035 /nfs/dbraw/zinc/24/20/35/553242035.db2.gz AJWUGSWPBSUULJ-WHLCRQNOSA-N 0 0 531.605 5.959 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009353419 553245649 /nfs/dbraw/zinc/24/56/49/553245649.db2.gz JUPFWXXUHWOJIJ-HHHXNRCGSA-N 0 0 516.594 5.365 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009353922 553245776 /nfs/dbraw/zinc/24/57/76/553245776.db2.gz LTVUYMQMGPUMTA-GDJIYFAZSA-N 0 0 513.590 5.586 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009353921 553245814 /nfs/dbraw/zinc/24/58/14/553245814.db2.gz LTVUYMQMGPUMTA-WHLCRQNOSA-N 0 0 513.590 5.586 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009358008 553247196 /nfs/dbraw/zinc/24/71/96/553247196.db2.gz ZLMADZVKLURLTD-OYLFLEFRSA-N 0 0 500.551 5.850 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000009357964 553247242 /nfs/dbraw/zinc/24/72/42/553247242.db2.gz VDNPRBBEBHMMNR-CMJOXMDJSA-N 0 0 502.617 6.081 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009357850 553247245 /nfs/dbraw/zinc/24/72/45/553247245.db2.gz WCSFUJRSXGWBGX-KMRXNPHXSA-N 0 0 529.637 5.444 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360117 553248139 /nfs/dbraw/zinc/24/81/39/553248139.db2.gz LXKXCRQYJLHYDN-PUAOIOHZSA-N 0 0 514.578 6.159 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009359625 553248267 /nfs/dbraw/zinc/24/82/67/553248267.db2.gz LAKRLJVDSJJIMM-NDEPHWFRSA-N 0 0 513.590 5.661 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009361218 553248862 /nfs/dbraw/zinc/24/88/62/553248862.db2.gz ZKTPWNJQONFAGQ-XMMPIXPASA-N 0 0 514.603 6.022 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009370750 553250104 /nfs/dbraw/zinc/25/01/04/553250104.db2.gz UIKHFVHWNWDKCK-VWLOTQADSA-N 0 0 501.539 5.256 50 30 KKEARN CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000009371096 553250282 /nfs/dbraw/zinc/25/02/82/553250282.db2.gz OROFVDOVUZWYDN-PMERELPUSA-N 0 0 510.634 6.941 50 30 KKEARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000009371094 553250320 /nfs/dbraw/zinc/25/03/20/553250320.db2.gz OROFVDOVUZWYDN-SSEXGKCCSA-N 0 0 510.634 6.941 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374774 553250953 /nfs/dbraw/zinc/25/09/53/553250953.db2.gz DHHOLAKJHAMZFD-IVCQMTBJSA-N 0 0 514.578 6.159 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000009380007 553251575 /nfs/dbraw/zinc/25/15/75/553251575.db2.gz VMMHRLAQOLUHGZ-HEIROHQZSA-N 0 0 524.661 6.922 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000009379783 553251606 /nfs/dbraw/zinc/25/16/06/553251606.db2.gz OFNQBGQEEQSIMU-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009380495 553251693 /nfs/dbraw/zinc/25/16/93/553251693.db2.gz ZYSBYZVBLVWNFN-NDEPHWFRSA-N 0 0 512.650 6.645 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009380662 553251926 /nfs/dbraw/zinc/25/19/26/553251926.db2.gz WSUPFIMVJCUUKK-NDEPHWFRSA-N 0 0 515.606 6.047 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000009404138 553255344 /nfs/dbraw/zinc/25/53/44/553255344.db2.gz AXSKGIUUEYPPMG-UHFFFAOYSA-N 0 0 503.649 5.887 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009412321 553257558 /nfs/dbraw/zinc/25/75/58/553257558.db2.gz WYTOLSQVLLPQPV-HMILPKGGSA-N 0 0 526.589 5.147 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009424292 553258721 /nfs/dbraw/zinc/25/87/21/553258721.db2.gz AGQRDVQUNRJIQQ-LJAQVGFWSA-N 0 0 527.617 5.704 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009425318 553259315 /nfs/dbraw/zinc/25/93/15/553259315.db2.gz KHVKMDWIYIRUER-GDLZYMKVSA-N 0 0 509.719 7.998 50 30 KKEARN CC(C)(C)c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(C(C)(C)C)c1O ZINC000009425290 553259321 /nfs/dbraw/zinc/25/93/21/553259321.db2.gz XNDBWXFDQLTAQL-WENCNXQZSA-N 0 0 512.669 8.106 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425163 553259355 /nfs/dbraw/zinc/25/93/55/553259355.db2.gz UIQKXSZJTDGOCE-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000009427413 553259836 /nfs/dbraw/zinc/25/98/36/553259836.db2.gz PXFLDFFHZYJPMO-GOXGLGGOSA-N 0 0 502.589 7.349 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009427481 553259876 /nfs/dbraw/zinc/25/98/76/553259876.db2.gz UPNKLMYBXKPODX-IIMAJNMQSA-N 0 0 524.617 6.023 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009460967 553267143 /nfs/dbraw/zinc/26/71/43/553267143.db2.gz SRTUZWUEFBEBRJ-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN O=C(/C=C/c1cccc(Br)c1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009461101 553267287 /nfs/dbraw/zinc/26/72/87/553267287.db2.gz IKLGZQBFSVIXET-FMIVXFBMSA-N 0 0 509.197 6.616 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009461421 553267560 /nfs/dbraw/zinc/26/75/60/553267560.db2.gz MVKRNUNAEWKDEA-RUZDIDTESA-N 0 0 514.603 6.185 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009471161 553269727 /nfs/dbraw/zinc/26/97/27/553269727.db2.gz WWCFLFGELILSNY-WTYVLRPYSA-N 0 0 512.606 5.608 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009470854 553269731 /nfs/dbraw/zinc/26/97/31/553269731.db2.gz ABEMMMKQESHULE-MUUNZHRXSA-N 0 0 513.590 5.458 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009470817 553269754 /nfs/dbraw/zinc/26/97/54/553269754.db2.gz JLVKKRSASBVANL-HSZRJFAPSA-N 0 0 502.523 5.298 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009507126 553276025 /nfs/dbraw/zinc/27/60/25/553276025.db2.gz HYXFSFIJUGQDQB-PMERELPUSA-N 0 0 521.613 7.069 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(OC)cc2)SC1=S ZINC000009514040 553276405 /nfs/dbraw/zinc/27/64/05/553276405.db2.gz QJPXHWKMGUFTKE-ZHZULCJRSA-N 0 0 506.443 5.303 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(Br)cc1 ZINC000009554206 553278918 /nfs/dbraw/zinc/27/89/18/553278918.db2.gz PSQDOPSFQRDYRX-AREMUKBSSA-N 0 0 501.424 6.902 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009556632 553279104 /nfs/dbraw/zinc/27/91/04/553279104.db2.gz BIDRPQOHMWAMNA-JOCHJYFZSA-N 0 0 514.603 5.948 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1OCC ZINC000009556653 553279107 /nfs/dbraw/zinc/27/91/07/553279107.db2.gz DPVVJZFECVCTBL-QFIPXVFZSA-N 0 0 503.580 5.481 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2C)cc1OC ZINC000009598266 553284295 /nfs/dbraw/zinc/28/42/95/553284295.db2.gz DOEGIDHWYOMUEL-SLGOVJDISA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2C)cc1OC ZINC000009598265 553284306 /nfs/dbraw/zinc/28/43/06/553284306.db2.gz DOEGIDHWYOMUEL-IPBJYNAHSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000009598285 553284326 /nfs/dbraw/zinc/28/43/26/553284326.db2.gz UBTLGXDPHRRRRM-DLLPINGYSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000009598272 553284341 /nfs/dbraw/zinc/28/43/41/553284341.db2.gz FFSXREKSPBGFPX-WENCNXQZSA-N 0 0 528.605 5.614 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000009600682 553286103 /nfs/dbraw/zinc/28/61/03/553286103.db2.gz ZGWJWCBZEVBXQB-APNKWYJYSA-N 0 0 503.639 6.187 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000009600705 553286219 /nfs/dbraw/zinc/28/62/19/553286219.db2.gz GQLQRRCRASNKLL-CZZIKKGSSA-N 0 0 507.633 8.486 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608882 553287775 /nfs/dbraw/zinc/28/77/75/553287775.db2.gz ZLHUVOVVWICFGW-OAQYLSRUSA-N 0 0 508.043 5.925 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC(=O)c2cccc(Cl)c2)cc1 ZINC000009659681 553293074 /nfs/dbraw/zinc/29/30/74/553293074.db2.gz VUIFLFCBMWYXPZ-UHFFFAOYSA-N 0 0 505.010 6.959 50 30 KKEARN CC(C)(C)c1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc(C(C)(C)C)c1O ZINC000009678930 553295787 /nfs/dbraw/zinc/29/57/87/553295787.db2.gz OTKXGLFDIDVGKX-PMERELPUSA-N 0 0 522.689 7.804 50 30 KKEARN O=C(NC1CCCCC1)c1c(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sc2c1CCCC2 ZINC000009680439 553296564 /nfs/dbraw/zinc/29/65/64/553296564.db2.gz QCVPMMZQZXDSKN-DPNNOFEESA-N 0 0 530.137 8.096 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000009720407 553300723 /nfs/dbraw/zinc/30/07/23/553300723.db2.gz KZOLNJOWKRZNED-AWHLFJKZSA-N 0 0 518.705 7.562 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009720993 553300915 /nfs/dbraw/zinc/30/09/15/553300915.db2.gz XBGAEYDVQOIAHE-UKJJDJLKSA-N 0 0 500.598 6.910 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S ZINC000009724421 553301546 /nfs/dbraw/zinc/30/15/46/553301546.db2.gz VBBQSCAWPFVNTJ-PXLXIMEGSA-N 0 0 504.073 6.201 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)sc2C1 ZINC000009775331 553303780 /nfs/dbraw/zinc/30/37/80/553303780.db2.gz VBQXZZGBNYFSRN-ZDUSSCGKSA-N 0 0 513.545 6.345 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775607 553304306 /nfs/dbraw/zinc/30/43/06/553304306.db2.gz PEOQGONMCJKELQ-UHFFFAOYSA-N 0 0 508.033 7.378 50 30 KKEARN CCOc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccc(Cl)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009775666 553304436 /nfs/dbraw/zinc/30/44/36/553304436.db2.gz YLYJYCOFXNYGEC-UHFFFAOYSA-N 0 0 504.070 7.629 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 ZINC000009775652 553304447 /nfs/dbraw/zinc/30/44/47/553304447.db2.gz YODSOFFSBBPQMX-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1C ZINC000009777472 553306788 /nfs/dbraw/zinc/30/67/88/553306788.db2.gz WDJFWIZJCJMVNW-UHFFFAOYSA-N 0 0 522.516 8.500 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000009805289 553308625 /nfs/dbraw/zinc/30/86/25/553308625.db2.gz ZQPZXKJKCVOWPT-LJAQVGFWSA-N 0 0 510.977 6.789 50 30 KKEARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000009846336 553311560 /nfs/dbraw/zinc/31/15/60/553311560.db2.gz VFEBUITVKLTOBP-HZVWYJMBSA-N 0 0 508.043 6.126 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)/C=C2\S/C(=N\c3ccc(Cl)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000009892265 553314786 /nfs/dbraw/zinc/31/47/86/553314786.db2.gz GCXAMJASDXFCJF-FDVPJPDDSA-N 0 0 520.010 5.802 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3ccc(N(C)C)cc3)c2C(=O)Nc2ccc(OCC)cc2)C1 ZINC000009907631 553316027 /nfs/dbraw/zinc/31/60/27/553316027.db2.gz ZYCDMIKVOBDQBG-STBIYBPSSA-N 0 0 520.655 5.730 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)c(Cl)c2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000009907662 553316032 /nfs/dbraw/zinc/31/60/32/553316032.db2.gz KQGBWKJJTRVWEE-PCHPKZPRSA-N 0 0 511.087 7.573 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009934351 553317846 /nfs/dbraw/zinc/31/78/46/553317846.db2.gz LRZCVOJQSGBSRK-CAQRMWTPSA-N 0 0 524.661 7.185 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000009934642 553318045 /nfs/dbraw/zinc/31/80/45/553318045.db2.gz NJHNDTATKYGIQY-UHFFFAOYSA-N 0 0 509.942 5.964 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000009993377 553323784 /nfs/dbraw/zinc/32/37/84/553323784.db2.gz BAALFYUZNCPFDC-BUUDZMLXSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1cc(C)sc1C ZINC000009993476 553324107 /nfs/dbraw/zinc/32/41/07/553324107.db2.gz XGJOMJMVUSVRLG-NIJXNBFTSA-N 0 0 523.651 5.087 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009994089 553324412 /nfs/dbraw/zinc/32/44/12/553324412.db2.gz KUXHZVGZUWOTPU-JOCHJYFZSA-N 0 0 518.591 5.203 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000010013530 553326103 /nfs/dbraw/zinc/32/61/03/553326103.db2.gz OUYDNSIQNFBBLY-AFJIDDCJSA-N 0 0 512.581 5.843 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000010013647 553326234 /nfs/dbraw/zinc/32/62/34/553326234.db2.gz DNKALQVHMGXKPP-VKGTZQKMSA-N 0 0 516.544 5.679 50 30 KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)c(OC)c3)C4=O)c2c1 ZINC000011868922 553348238 /nfs/dbraw/zinc/34/82/38/553348238.db2.gz WYEJJXHOCNVKBG-ZMFRSBBQSA-N 0 0 500.503 5.993 50 30 biogenic KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3c(F)cccc3Cl)C4=O)c2c1 ZINC000011868798 553348250 /nfs/dbraw/zinc/34/82/50/553348250.db2.gz QSJKOMIXOYKBBI-QRQIAZFYSA-N 0 0 554.957 8.126 50 30 KKEARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 ZINC000012346834 553358826 /nfs/dbraw/zinc/35/88/26/553358826.db2.gz TXTNDKPSVUPXTG-MHZLTWQESA-N 0 0 521.617 5.954 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000012349400 553358892 /nfs/dbraw/zinc/35/88/92/553358892.db2.gz UTFSEPCCTWLGDY-PBBNMVCDSA-N 0 0 526.036 6.810 50 30 KKEARN C=CCN1c2ccccc2[C@]2(C1=O)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccc(F)cc1 ZINC000012343768 553358895 /nfs/dbraw/zinc/35/88/95/553358895.db2.gz APSSKJIIJJYQBA-MUUNZHRXSA-N 0 0 500.913 5.018 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349648 553359114 /nfs/dbraw/zinc/35/91/14/553359114.db2.gz XNYXCXQGJBHJIX-JPZYQRIQSA-N 0 0 523.654 7.303 50 30 KKEARN CC(NC1CCCCC1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccco1)(C(F)(F)F)C(F)(F)F ZINC000012362225 553359455 /nfs/dbraw/zinc/35/94/55/553359455.db2.gz RAOPINUPOWBJEU-HGNFZYRHSA-N 0 0 517.470 5.921 50 30 KKEARN COc1cc(/C=N/[C@H](Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012369397 553359839 /nfs/dbraw/zinc/35/98/39/553359839.db2.gz DIIDXSOBIHSJAR-UMBPSLTKSA-N 0 0 525.601 6.343 50 30 KKEARN O=C(ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012369975 553360124 /nfs/dbraw/zinc/36/01/24/553360124.db2.gz HJLPAYKAPHCUES-UHFFFAOYSA-N 0 0 503.691 7.176 50 30 KKEARN COc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)/C=C/c5ccccc5)c4)cc3C2=O)c1 ZINC000012371586 553360497 /nfs/dbraw/zinc/36/04/97/553360497.db2.gz QJLDLFULSPZAOM-DTQAZKPQSA-N 0 0 502.526 5.644 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2Cl)nsc1SCC(=O)Nc1ccccc1Cl ZINC000012375644 553360952 /nfs/dbraw/zinc/36/09/52/553360952.db2.gz LGCAXRLCWXKQBN-UHFFFAOYSA-N 0 0 509.465 5.783 50 30 KKEARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012402190 553362812 /nfs/dbraw/zinc/36/28/12/553362812.db2.gz IWCZNNMKKBENEU-MUUNZHRXSA-N 0 0 512.572 5.701 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000012411626 553363539 /nfs/dbraw/zinc/36/35/39/553363539.db2.gz PGDRTHVVQXCMLD-GDLZYMKVSA-N 0 0 503.042 7.540 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411756 553363728 /nfs/dbraw/zinc/36/37/28/553363728.db2.gz HJLYAAVAPLNEFT-UZTOHYMASA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000012413026 553364132 /nfs/dbraw/zinc/36/41/32/553364132.db2.gz AQGPFKXVTQFWOQ-XXAUWVGASA-N 0 0 503.595 5.906 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416327 553364864 /nfs/dbraw/zinc/36/48/64/553364864.db2.gz FVQNLOMMHFJLMS-WGDIFIGCSA-N 0 0 502.567 5.616 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000012416294 553364879 /nfs/dbraw/zinc/36/48/79/553364879.db2.gz OEHQGUJVKCXWJR-QUGAMOGWSA-N 0 0 504.583 5.602 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000012416277 553364898 /nfs/dbraw/zinc/36/48/98/553364898.db2.gz YVQKVLFLQHQBKL-SOKVYYICSA-N 0 0 518.610 5.905 50 30 KKEARN Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)NC(=O)c3cccc(OC(F)(F)C(F)F)c3)cc2)n1 ZINC000012446093 553366594 /nfs/dbraw/zinc/36/65/94/553366594.db2.gz MZFILSPPEKMXQS-UHFFFAOYSA-N 0 0 504.362 5.398 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(I)c2)cc1 ZINC000012447695 553366828 /nfs/dbraw/zinc/36/68/28/553366828.db2.gz FDJSVMASZXIKMK-NIYFSFCBSA-N 0 0 506.387 6.579 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3)N(C)C2=O)cc1OCC ZINC000012464162 553367313 /nfs/dbraw/zinc/36/73/13/553367313.db2.gz YGAKDGHHHGOKRH-JEPJVFCJSA-N 0 0 519.417 5.024 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C1Nc2ccccc2N1 ZINC000012524977 553383951 /nfs/dbraw/zinc/38/39/51/553383951.db2.gz VAXSPNVRTFGVLN-UHFFFAOYSA-N 0 0 517.998 5.171 50 30 KKEARN Cc1ccc(S(=O)(=O)N=C(NCCC(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000012532078 553386622 /nfs/dbraw/zinc/38/66/22/553386622.db2.gz ZHFDMMHHQKJORK-UHFFFAOYSA-N 0 0 503.067 6.596 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000012560263 553394335 /nfs/dbraw/zinc/39/43/35/553394335.db2.gz ALCGWCBWKOJWCB-PSXMRANNSA-N 0 0 525.956 5.242 50 30 KKEARN CCOc1ccc(/N=C(/COc2c(Cl)cc(Cl)c3ccc(C)nc32)Nc2ccc(OCC)cc2)cc1 ZINC000012565690 553396778 /nfs/dbraw/zinc/39/67/78/553396778.db2.gz KLKMYWLXOFMCOP-UHFFFAOYSA-N 0 0 524.448 7.869 50 30 KKEARN Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)c3ccccc3n2)cc1 ZINC000012622594 553404011 /nfs/dbraw/zinc/40/40/11/553404011.db2.gz WIICKZTUCGRUJO-UHFFFAOYSA-N 0 0 512.635 5.713 50 30 KKEARN O=C(C1CCCCC1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652273 553409725 /nfs/dbraw/zinc/40/97/25/553409725.db2.gz HVSKWFHAESDUSP-PBBNMVCDSA-N 0 0 501.026 7.414 50 30 KKEARN CCOC(=O)N1CCC(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2C#N)CC1 ZINC000012859978 553422832 /nfs/dbraw/zinc/42/28/32/553422832.db2.gz CBAIFIWVDPKYMF-UHFFFAOYSA-N 0 0 571.419 5.231 50 30 KKEARN Cc1c(/C(=N/OC(=O)c2ccc(F)cc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012953526 553428945 /nfs/dbraw/zinc/42/89/45/553428945.db2.gz WHSMXAMNIHRERT-IVQJCJPDSA-N 0 0 562.516 6.258 50 30 KKEARN Cc1c(/C(=N/OC(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012953541 553428954 /nfs/dbraw/zinc/42/89/54/553428954.db2.gz RERGTTZJEJJTFU-LAKKEJQSSA-N 0 0 612.523 7.138 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000012954087 553429204 /nfs/dbraw/zinc/42/92/04/553429204.db2.gz HCGOJNSDFXXNGR-UHFFFAOYSA-N 0 0 520.562 5.179 50 30 KKEARN Cc1ccc(C(=O)ON(C)/C=C/C(=O)c2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)cc1 ZINC000012954487 553429370 /nfs/dbraw/zinc/42/93/70/553429370.db2.gz LZVPWDUWWBIYMJ-VAWYXSNFSA-N 0 0 558.988 5.789 50 30 KKEARN O=C(NC=NOCc1ccc(Cl)cc1)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012957777 553430196 /nfs/dbraw/zinc/43/01/96/553430196.db2.gz QUHHEZXSHGKSGP-UHFFFAOYSA-N 0 0 552.384 5.624 50 30 KKEARN N#Cc1c(C/C=N\OCc2ccccc2Br)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000012959204 553430247 /nfs/dbraw/zinc/43/02/47/553430247.db2.gz IKHDXSOWIPSNOT-UYOSMMAWSA-N 0 0 547.809 6.741 50 30 KKEARN O=c1c(Cc2ccccc2)c(O)c(/C=N/OCc2cccc(Cl)c2)cn1CCc1c[nH]c2ccccc12 ZINC000012960152 553430554 /nfs/dbraw/zinc/43/05/54/553430554.db2.gz YXJROHUMSSQGEW-DPNNOFEESA-N 0 0 512.009 6.073 50 30 KKEARN O=C(NC=NOCc1cccc(C(F)(F)F)c1)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961396 553430998 /nfs/dbraw/zinc/43/09/98/553430998.db2.gz MLMSPPVLHAXQBZ-NRFANRHFSA-N 0 0 566.889 6.729 50 30 KKEARN COc1cc(/C=C/c2cc(-c3ccc(Br)cc3)n3c4ccccc4nc3c2C#N)cc(OC)c1 ZINC000013141515 553454367 /nfs/dbraw/zinc/45/43/67/553454367.db2.gz HEHCWMYGRDLBEL-BQYQJAHWSA-N 0 0 510.391 6.976 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2)cc1OC ZINC000013303848 553458100 /nfs/dbraw/zinc/45/81/00/553458100.db2.gz CYUIACPDVJWPCO-DJUQAAIZSA-N 0 0 508.618 6.013 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000013424080 553459390 /nfs/dbraw/zinc/45/93/90/553459390.db2.gz VOIVDXZVOPVDNJ-PWEHGMCJSA-N 0 0 501.233 5.736 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000013551612 553470448 /nfs/dbraw/zinc/47/04/48/553470448.db2.gz QSMUOPWEFYVUJZ-SANMLTNESA-N 0 0 502.567 5.062 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552530 553470671 /nfs/dbraw/zinc/47/06/71/553470671.db2.gz YKVPOMIZWSEFAO-QFIPXVFZSA-N 0 0 506.605 5.720 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569209 553473578 /nfs/dbraw/zinc/47/35/78/553473578.db2.gz MZWBTXCFOAYNIM-DEOSSOPVSA-N 0 0 502.592 6.332 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000013570608 553473605 /nfs/dbraw/zinc/47/36/05/553473605.db2.gz HSICJYNNXGLUJQ-SANMLTNESA-N 0 0 512.631 6.737 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571136 553473911 /nfs/dbraw/zinc/47/39/11/553473911.db2.gz ANSXQCPKRGBCKW-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000013571560 553473943 /nfs/dbraw/zinc/47/39/43/553473943.db2.gz UMRQLEOYDDRIDF-AREMUKBSSA-N 0 0 505.998 5.842 50 30 KKEARN Cc1ccc(-c2nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c3cc2C)cc1 ZINC000013574806 553474714 /nfs/dbraw/zinc/47/47/14/553474714.db2.gz LONOWJYYBLBDIG-BUHFOSPRSA-N 0 0 509.656 7.372 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1cccc(Br)c1)OCCCO4 ZINC000013591309 553476941 /nfs/dbraw/zinc/47/69/41/553476941.db2.gz SXGQDVKOTYPMAK-OAQYLSRUSA-N 0 0 506.440 6.250 50 30 KKEARN N#CC(C#N)C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000013598846 553477458 /nfs/dbraw/zinc/47/74/58/553477458.db2.gz YTSQGXDHOXDDRS-JBOQNHBVSA-N 0 0 505.618 5.154 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@H]3c1ccccc1)c1ccc(C)cc1 ZINC000013769252 553489199 /nfs/dbraw/zinc/48/91/99/553489199.db2.gz MUXYVDYMOBCBJS-SWFHDVFKSA-N 0 0 511.585 6.813 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(CC)cc3)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000013941016 553496484 /nfs/dbraw/zinc/49/64/84/553496484.db2.gz ZDOKEXZGVDCHQG-JDLIOFPUSA-N 0 0 516.619 6.189 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S ZINC000013942090 553496625 /nfs/dbraw/zinc/49/66/25/553496625.db2.gz GEOYADCIFAJLRG-VXLYETTFSA-N 0 0 514.883 7.012 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(CC)cc3)NC2=O)cc(I)c1OCC ZINC000014008785 553499257 /nfs/dbraw/zinc/49/92/57/553499257.db2.gz OQYIMKZOTKJQME-UYRXBGFRSA-N 0 0 522.408 5.543 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=O ZINC000014192280 553506340 /nfs/dbraw/zinc/50/63/40/553506340.db2.gz RKIDALSACBQVTN-HHHXNRCGSA-O 0 0 594.747 6.132 50 30 in-vitro KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(Br)cc1OC ZINC000014257396 553506674 /nfs/dbraw/zinc/50/66/74/553506674.db2.gz BIUMIEMXEKPGRH-KHHYFDFNSA-N 0 0 515.473 6.793 50 30 KKEARN C=C(C)CC[C@H](C)Nc1cnc2c(c1)c(NC(=O)CCOC)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014530904 553517432 /nfs/dbraw/zinc/51/74/32/553517432.db2.gz JUQKGQALLPFDGF-FQEVSTJZSA-N 0 0 531.657 5.679 50 30 KKEARN COc1ccc2[nH]cc(CCNC(=NC(=O)C=Cc3ccc(Cl)cc3)Nc3nc(C)cc(C)n3)c2c1 ZINC000014671797 553519258 /nfs/dbraw/zinc/51/92/58/553519258.db2.gz XKXRVCUKKRNXGR-IZZDOVSWSA-N 0 0 503.006 5.077 50 30 KKEARN Cc1ccc(N=C2SC(=C3C(=O)Nc4c3cc(C)cc4Br)C(=O)N2c2ccc(C)cc2)cc1 ZINC000015016686 553526261 /nfs/dbraw/zinc/52/62/61/553526261.db2.gz VSFDNZHPYCQYRI-DQXOWSPDSA-N 0 0 518.436 7.155 50 30 KKEARN Cc1cccn2c(=O)c(C=NNc3ncc(C(F)(F)F)cc3Cl)c(SCc3ccccc3)nc12 ZINC000015906099 553540390 /nfs/dbraw/zinc/54/03/90/553540390.db2.gz MGFSRRQOTOHKBW-XKJRVUDJSA-N 0 0 503.937 5.808 50 30 KKEARN CSc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000016034434 553551795 /nfs/dbraw/zinc/55/17/95/553551795.db2.gz HYUURDHZLXYBMM-WSGVFEOCSA-N 0 0 505.687 6.595 50 30 KKEARN O=C(Oc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc(Br)cc1 ZINC000016157892 553555540 /nfs/dbraw/zinc/55/55/40/553555540.db2.gz AVCZGPSZWPCGFG-WGOQTCKBSA-N 0 0 509.381 5.134 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC(C)C)=C(C)NC4=C3C(=O)C[C@H](c3ccc(F)cc3)C4)c(=O)c2c1 ZINC000016293783 553559385 /nfs/dbraw/zinc/55/93/85/553559385.db2.gz KSMVMIVVQJUXRH-WINIVTDRSA-N 0 0 501.554 5.554 50 30 KKEARN FC(F)(F)c1ccc(N=CC=C(Nc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)cc1 ZINC000016400134 553562607 /nfs/dbraw/zinc/56/26/07/553562607.db2.gz SYNMRWNNTMNUCR-VBHBRTPISA-N 0 0 513.279 8.342 50 30 KKEARN C=CCn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000016474461 553565506 /nfs/dbraw/zinc/56/55/06/553565506.db2.gz KLVFWZGKHGGOGW-UHFFFAOYSA-N 0 0 503.049 5.068 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000016506338 553566823 /nfs/dbraw/zinc/56/68/23/553566823.db2.gz YPEREGNAWUIEQN-PMERELPUSA-N 0 0 510.634 6.357 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000016609397 553569162 /nfs/dbraw/zinc/56/91/62/553569162.db2.gz YZMISIKFQAJARG-GFCCVEGCSA-N 0 0 500.443 5.894 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1 ZINC000016609400 553569178 /nfs/dbraw/zinc/56/91/78/553569178.db2.gz YZMISIKFQAJARG-LBPRGKRZSA-N 0 0 500.443 5.894 50 30 KKEARN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000016648343 553570842 /nfs/dbraw/zinc/57/08/42/553570842.db2.gz WZBIWFADDJSXDW-UHFFFAOYSA-N 0 0 507.638 5.945 50 30 KKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1O ZINC000016677414 553571679 /nfs/dbraw/zinc/57/16/79/553571679.db2.gz YZXYVMADWYKENE-BUNZEZOSSA-N 0 0 509.425 5.836 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000016713760 553575315 /nfs/dbraw/zinc/57/53/15/553575315.db2.gz RGDXFBKPZPKWMN-QHCPKHFHSA-N 0 0 516.432 5.407 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000016729535 553575941 /nfs/dbraw/zinc/57/59/41/553575941.db2.gz WDWSMSSKPVYKCP-NRFANRHFSA-N 0 0 506.580 5.200 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729746 553575993 /nfs/dbraw/zinc/57/59/93/553575993.db2.gz UZUKVNSHNBZMPL-JOCHJYFZSA-N 0 0 504.608 5.743 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731437 553577066 /nfs/dbraw/zinc/57/70/66/553577066.db2.gz BICNSWQYZTYQEQ-MUUNZHRXSA-N 0 0 525.580 5.578 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731493 553577104 /nfs/dbraw/zinc/57/71/04/553577104.db2.gz VEPTYOXCFBHRHX-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000016731778 553577297 /nfs/dbraw/zinc/57/72/97/553577297.db2.gz AITQULZEYKHYQA-AREMUKBSSA-N 0 0 507.558 5.939 50 30 KKEARN CCOC(=O)CSc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C(F)(F)F)c1C#N ZINC000016733347 553577935 /nfs/dbraw/zinc/57/79/35/553577935.db2.gz CFLSUPPRQDYBHD-UHFFFAOYSA-N 0 0 506.933 6.527 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000016736514 553579078 /nfs/dbraw/zinc/57/90/78/553579078.db2.gz ZIXOVIOHAYCLJK-AREMUKBSSA-N 0 0 527.646 6.516 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000016737068 553579288 /nfs/dbraw/zinc/57/92/88/553579288.db2.gz OQCPEXGMTOOZTD-NDEPHWFRSA-N 0 0 525.557 5.654 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016805809 553583064 /nfs/dbraw/zinc/58/30/64/553583064.db2.gz BAJJMBIHZJYKOS-HHHXNRCGSA-N 0 0 515.562 6.382 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000017042836 553587147 /nfs/dbraw/zinc/58/71/47/553587147.db2.gz QDEIVCZTHRBAPE-UVMFRMCBSA-N 0 0 514.625 7.186 50 30 KKEARN C=C(C)Cn1c(SCc2nc3c(c(=O)[nH]2)C2(CCCCC2)Cc2ccccc2-3)nc2ccccc2c1=O ZINC000017179651 553590103 /nfs/dbraw/zinc/59/01/03/553590103.db2.gz KYJRCWKAFJUFIE-UHFFFAOYSA-N 0 0 510.663 5.773 50 30 KKEARN Cc1cc(C)nc(NC(=NC(=O)c2cc([N+](=O)[O-])ccc2Cl)Nc2ccccc2Br)n1 ZINC000017196088 553590157 /nfs/dbraw/zinc/59/01/57/553590157.db2.gz YKSINUJOFBCULR-UHFFFAOYSA-N 0 0 503.744 5.138 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000017242281 553590962 /nfs/dbraw/zinc/59/09/62/553590962.db2.gz VPNRYUBQMKABNP-HXUWFJFHSA-N 0 0 506.559 5.722 50 30 KKEARN CC(C)=NOC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575466 553591146 /nfs/dbraw/zinc/59/11/46/553591146.db2.gz KAYBKEWGKUMREV-VDTYLAMSSA-N 0 0 551.149 5.798 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242436 553591277 /nfs/dbraw/zinc/59/12/77/553591277.db2.gz YFLXKOLPSHNDSI-QFIPXVFZSA-N 0 0 521.614 5.419 50 30 KKEARN CCN1c2ccc(OC)cc2S/C1=C\C(=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O)c1ccccc1 ZINC000017282412 553592100 /nfs/dbraw/zinc/59/21/00/553592100.db2.gz MQLSBFZZFVJDOI-BJHIOHIVSA-N 0 0 527.715 7.471 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020133657 553592348 /nfs/dbraw/zinc/59/23/48/553592348.db2.gz ZMMMMBBWOYVPTB-NRFANRHFSA-N 0 0 518.595 5.592 50 30 KKEARN COc1ccccc1[C@@H]1c2c(=O)[nH]c(SCc3ccc(C)cc3C)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134293 553592539 /nfs/dbraw/zinc/59/25/39/553592539.db2.gz BZBCUCFFWSLWTI-QHCPKHFHSA-N 0 0 501.652 5.888 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](C(=O)OCC)[C@@H](OC(=O)Cc1ccccc1)c1ccccc1 ZINC000070664622 553594715 /nfs/dbraw/zinc/59/47/15/553594715.db2.gz PHGUZJJNHHGPDZ-ZWXJPIIXSA-N 0 0 537.741 7.263 50 30 biogenic KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664810 553595249 /nfs/dbraw/zinc/59/52/49/553595249.db2.gz LILFVFNXCKTUBS-NYMCLXQXSA-N 0 0 506.840 10.258 50 30 biogenic KKEARN CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000070665024 553595411 /nfs/dbraw/zinc/59/54/11/553595411.db2.gz CWJKYZBNMBLVGW-MWZAPYCCSA-N 0 0 542.845 8.705 50 30 biogenic KKEARN CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)CO6)O[C@H]5C[C@H]4[C@@H]3CC[C@H]2C1 ZINC000070665028 553595486 /nfs/dbraw/zinc/59/54/86/553595486.db2.gz CWJKYZBNMBLVGW-YDDVEHMESA-N 0 0 542.845 8.705 50 30 biogenic KKEARN CCCCCCCCCCCCCCCC(=O)N1CC[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)C1(C)C ZINC000070665220 553595833 /nfs/dbraw/zinc/59/58/33/553595833.db2.gz UOHHNZJWWUVCDN-PSXMRANNSA-N 0 0 544.824 8.963 50 30 biogenic KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000017545131 553597389 /nfs/dbraw/zinc/59/73/89/553597389.db2.gz QZUPXEWIIFPCPJ-UHFFFAOYSA-N 0 0 527.204 6.496 50 30 KKEARN CCN(CC)[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000017595796 553598430 /nfs/dbraw/zinc/59/84/30/553598430.db2.gz ROECIFXWYXQWQB-KXQOOQHDSA-N 0 0 578.397 5.845 50 30 KKEARN CCN(CC)[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000017595794 553598436 /nfs/dbraw/zinc/59/84/36/553598436.db2.gz ROECIFXWYXQWQB-LHEWISCISA-N 0 0 578.397 5.845 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Br)cc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070669840 553599207 /nfs/dbraw/zinc/59/92/07/553599207.db2.gz NKSQQJAYNSNXJQ-KBDCRAKHSA-N 0 0 635.727 9.842 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070669854 553599212 /nfs/dbraw/zinc/59/92/12/553599212.db2.gz VXHGZMADPGKYHA-OYFIFGIASA-N 0 0 556.831 9.080 50 30 biogenic KKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000070669838 553599228 /nfs/dbraw/zinc/59/92/28/553599228.db2.gz YYSHCLKBLVQSLA-GGAORHGYSA-N 0 0 600.756 5.962 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(C(=O)c3ccc(Cl)cc3)C(=S)N\2c2ccccc2)cc1 ZINC000017995609 553601356 /nfs/dbraw/zinc/60/13/56/553601356.db2.gz USQMHIHTNWBJRO-QPNRKFHMSA-N 0 0 555.059 7.065 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020169168 553601670 /nfs/dbraw/zinc/60/16/70/553601670.db2.gz ZSXSLHQJTCCXHM-UZUQRXQVSA-N 0 0 505.558 5.708 50 30 KKEARN CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)c5cccc(I)c5)CC[C@]4(C)[C@@]34O[C@H]4C[C@]12C ZINC000070672666 553602668 /nfs/dbraw/zinc/60/26/68/553602668.db2.gz QKFXMJVIUCVFGH-YOXPCKKMSA-N 0 0 562.488 6.196 50 30 biogenic KKEARN O=C(Cc1nc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2[nH]c1=O)c1ccc(Cl)cc1 ZINC000020177123 553602774 /nfs/dbraw/zinc/60/27/74/553602774.db2.gz CBVHVAINHRTDMA-JLPGSUDCSA-N 0 0 521.404 5.087 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070672795 553602712 /nfs/dbraw/zinc/60/27/12/553602712.db2.gz ZSQUSLALPQALPW-QJWGWKRISA-N 0 0 544.648 6.786 50 30 biogenic KKEARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000018080619 553603601 /nfs/dbraw/zinc/60/36/01/553603601.db2.gz KCJYDWIOOLWXFL-SBGXGKRISA-N 0 0 512.006 5.691 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070680350 553604316 /nfs/dbraw/zinc/60/43/16/553604316.db2.gz WGMBIIYEDHIMTH-XIHUXHDVSA-N 0 0 601.828 8.988 50 30 biogenic KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000018105968 553604492 /nfs/dbraw/zinc/60/44/92/553604492.db2.gz KFWHLJAZLWQBRL-OSPAZUARSA-N 0 0 528.652 7.576 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)cc3OC)C4=O)c2c1 ZINC000070680868 553604668 /nfs/dbraw/zinc/60/46/68/553604668.db2.gz ZDOKJBVCPGERMM-UHBFCERESA-N 0 0 562.574 7.351 50 30 biogenic KKEARN O=C(NC1CCCCC1)c1c(/N=C\c2ccc(OCc3cccc4ccccc43)cc2)sc2c1CCCC2 ZINC000018113551 553604777 /nfs/dbraw/zinc/60/47/77/553604777.db2.gz LUGIVJBTSMJRDF-ZXSNDDASSA-N 0 0 522.714 8.172 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1ccc(C(C)C)cc1)cn2C ZINC000020183358 553604843 /nfs/dbraw/zinc/60/48/43/553604843.db2.gz FAWSTEMVAFFMLE-PKAZHMFMSA-N 0 0 513.733 5.433 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000020190933 553605913 /nfs/dbraw/zinc/60/59/13/553605913.db2.gz SIPNUSYRXSLSJI-SSOJOUAXSA-N 0 0 521.660 5.512 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000018142675 553606003 /nfs/dbraw/zinc/60/60/03/553606003.db2.gz VCUOOHRVHYFQBV-LBEKAKSKSA-N 0 0 516.594 5.709 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018144147 553606274 /nfs/dbraw/zinc/60/62/74/553606274.db2.gz PDIOPRJTKIVOGS-CLYVBNDRSA-N 0 0 556.968 6.820 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)cc2)cc1 ZINC000018173449 553607226 /nfs/dbraw/zinc/60/72/26/553607226.db2.gz KRYOCSOAAAQGOV-ZCTHSVRISA-N 0 0 510.615 6.858 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000018197671 553609004 /nfs/dbraw/zinc/60/90/04/553609004.db2.gz ZCLBIQJIPMMAFB-FIPFOOKPSA-N 0 0 515.638 6.852 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Oc4ccccc4)c3)C2)cc(OC)c1OC ZINC000018198532 553609485 /nfs/dbraw/zinc/60/94/85/553609485.db2.gz ATPGHVRKSIYMRD-HMILPKGGSA-N 0 0 524.577 5.512 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2sccc2C)cc1OC ZINC000018198575 553609497 /nfs/dbraw/zinc/60/94/97/553609497.db2.gz BMDZHRUFEDMYPY-BVZFJXPGSA-N 0 0 513.619 5.511 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000018230057 553611060 /nfs/dbraw/zinc/61/10/60/553611060.db2.gz BQVBTGYZOLHUHK-SUYRBLAESA-N 0 0 517.607 5.032 50 30 KKEARN CC(C)(O)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@H]1CC=C2C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692399 553611657 /nfs/dbraw/zinc/61/16/57/553611657.db2.gz SGRMGMQDZAYBRV-XYWCWTLFSA-N 0 0 542.757 6.256 50 30 biogenic KKEARN CC(C)(O)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@H]1CC=C2C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070692398 553611696 /nfs/dbraw/zinc/61/16/96/553611696.db2.gz SGRMGMQDZAYBRV-ROXPFDIHSA-N 0 0 542.757 6.256 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000018276793 553611882 /nfs/dbraw/zinc/61/18/82/553611882.db2.gz HHQBUYJNJNCHOQ-QNLPTKCRSA-N 0 0 507.609 7.178 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000018325064 553612167 /nfs/dbraw/zinc/61/21/67/553612167.db2.gz WDGYXGDEIGGBHT-JCOAXYOVSA-N 0 0 514.622 6.778 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018325062 553612183 /nfs/dbraw/zinc/61/21/83/553612183.db2.gz WDGYXGDEIGGBHT-BGOLNKOXSA-N 0 0 514.622 6.778 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000019228440 553612747 /nfs/dbraw/zinc/61/27/47/553612747.db2.gz RJGBHRKNWDKVGI-DEOSSOPVSA-N 0 0 510.428 5.805 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070697509 553612762 /nfs/dbraw/zinc/61/27/62/553612762.db2.gz OUYPDQHVBQNYBF-KTUKVFGJSA-N 0 0 546.792 8.673 50 30 biogenic KKEARN CC(C)Cc1nc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000019418252 553614656 /nfs/dbraw/zinc/61/46/56/553614656.db2.gz RPGHGEWCEJMZPQ-UHFFFAOYSA-N 0 0 516.473 5.664 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019805202 553617663 /nfs/dbraw/zinc/61/76/63/553617663.db2.gz IWOBKQLCOYLACN-ZTOMLWHTSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000019830818 553622717 /nfs/dbraw/zinc/62/27/17/553622717.db2.gz QYFOWFHGFDHNCE-URAOTHONSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Br)cc1Cl ZINC000019841345 553623163 /nfs/dbraw/zinc/62/31/63/553623163.db2.gz ZAAKYYZBQJUQLG-UHFFFAOYSA-N 0 0 512.835 6.475 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1OC ZINC000019880856 553629517 /nfs/dbraw/zinc/62/95/17/553629517.db2.gz UOHFJEFUHCRUBD-XHCCPWGMSA-N 0 0 522.041 6.205 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1 ZINC000019892264 553630570 /nfs/dbraw/zinc/63/05/70/553630570.db2.gz ZQXNOIAHHQONPH-CCLHPLFOSA-N 0 0 525.642 5.501 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1 ZINC000019892268 553630597 /nfs/dbraw/zinc/63/05/97/553630597.db2.gz ZQXNOIAHHQONPH-NFQMXDRXSA-N 0 0 525.642 5.501 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019892419 553630831 /nfs/dbraw/zinc/63/08/31/553630831.db2.gz UTUYZVPYCPUDFJ-WRONEBCDSA-N 0 0 535.637 5.426 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000019892437 553630848 /nfs/dbraw/zinc/63/08/48/553630848.db2.gz IVULQKYFYDTKKT-UZTOHYMASA-N 0 0 525.642 5.501 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000019892526 553631116 /nfs/dbraw/zinc/63/11/16/553631116.db2.gz VZBTXNPAVDKOMJ-HRFSGMKKSA-N 0 0 510.030 6.062 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCC)c1 ZINC000019892630 553631144 /nfs/dbraw/zinc/63/11/44/553631144.db2.gz BOQCRGBWZZSERA-KPURRNSFSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCC ZINC000019892694 553631294 /nfs/dbraw/zinc/63/12/94/553631294.db2.gz MUHDAAQVPVEKAQ-LGGPFLRQSA-N 0 0 519.638 5.807 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCC ZINC000019892661 553631353 /nfs/dbraw/zinc/63/13/53/553631353.db2.gz COBTUHVYPXYGSR-ONOMSOESSA-N 0 0 535.637 5.044 50 30 KKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019913447 553633580 /nfs/dbraw/zinc/63/35/80/553633580.db2.gz NHWMWPROTMZVLV-SSEXGKCCSA-N 0 0 506.646 6.817 50 30 KKEARN C=C[C@@](C)(CO[C@@H]1CCCCO1)C[C@@H]1O[C@@H](Sc2ccccc2)[C@@]23[C@H](O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786301 553637082 /nfs/dbraw/zinc/63/70/82/553637082.db2.gz XKEBWYLKXGJFQW-VIMNRJFRSA-N 0 0 500.745 6.823 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](c3c(F)cccc3Cl)CC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020366153 553643236 /nfs/dbraw/zinc/64/32/36/553643236.db2.gz LMRYMSOADIBQTQ-OYHNWAKOSA-N 0 0 508.804 6.711 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](c3c(F)cccc3Cl)CC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000020366155 553643287 /nfs/dbraw/zinc/64/32/87/553643287.db2.gz LMRYMSOADIBQTQ-NYHFZMIOSA-N 0 0 508.804 6.711 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1[C@](c1ccc(OC)cc1)(C(F)(F)F)N=C(Nc1ccc(C)cc1)O2 ZINC000072136210 553644281 /nfs/dbraw/zinc/64/42/81/553644281.db2.gz RVWMLMKRZYXLHK-HHHXNRCGSA-N 0 0 536.510 5.452 50 30 KKEARN COc1c2c(cc3c1[C@@H](C#CCOc1ccc(-c4nnc(Cl)c5ccccc54)cc1)N(C)CC3)OCO2 ZINC000020410605 553646053 /nfs/dbraw/zinc/64/60/53/553646053.db2.gz XRBKGFKMKWDUBN-HSZRJFAPSA-N 0 0 513.981 5.299 50 30 biogenic KKEARN NC(=NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000020413191 553647456 /nfs/dbraw/zinc/64/74/56/553647456.db2.gz XDFODKUFIJBDHP-UHFFFAOYSA-N 0 0 500.747 5.442 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(C)s2)cc1OC ZINC000020418778 553647655 /nfs/dbraw/zinc/64/76/55/553647655.db2.gz BDHVEPWHTQRKKY-URAOTHONSA-N 0 0 528.674 6.382 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)c6ccc(C)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000072332825 553649938 /nfs/dbraw/zinc/64/99/38/553649938.db2.gz JZUNILPNXFWFNX-CPYKNHFOSA-N 0 0 624.928 8.900 50 30 biogenic KKEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079192552 553668584 /nfs/dbraw/zinc/66/85/84/553668584.db2.gz OFMYWHBYBLTYQF-XURYWTMJSA-N 0 0 548.632 6.279 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000079204014 553669297 /nfs/dbraw/zinc/66/92/97/553669297.db2.gz BCTSRFZIGSWYBF-DYYUUNLCSA-N 0 0 682.727 9.684 50 30 biogenic KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000079210050 553670243 /nfs/dbraw/zinc/67/02/43/553670243.db2.gz VGPDRXMMBPXTSF-XYTTWMLMSA-N 0 0 740.806 6.978 50 30 biogenic KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000020568757 553674000 /nfs/dbraw/zinc/67/40/00/553674000.db2.gz VDFYVKCSGKVSBI-NDEPHWFRSA-N 0 0 512.572 5.964 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(CCC1CCCCC1)=NC2(C(F)(F)F)C(F)(F)F ZINC000020069720 553676027 /nfs/dbraw/zinc/67/60/27/553676027.db2.gz YZXAZFPXIQOWOP-UHFFFAOYSA-N 0 0 514.554 7.768 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC ZINC000085848525 553687107 /nfs/dbraw/zinc/68/71/07/553687107.db2.gz YCZJVRCZIPDYHH-UHFFFAOYSA-N 0 0 530.834 10.622 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1 ZINC000020103737 553687869 /nfs/dbraw/zinc/68/78/69/553687869.db2.gz KIRREUZDSYPXTH-UHFFFAOYSA-N 0 0 511.559 7.735 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000085994167 553692856 /nfs/dbraw/zinc/69/28/56/553692856.db2.gz PBHFSZWKNHEKBL-MUUNZHRXSA-N 0 0 507.590 5.439 50 30 KKEARN O=C1/C(=C/c2ccc(Br)o2)CN(Cc2ccccc2)C/C1=C/c1ccc(Br)o1 ZINC000020115353 553696874 /nfs/dbraw/zinc/69/68/74/553696874.db2.gz MGTMFCDMSFRAJV-VRNBXGKJSA-N 0 0 503.190 5.950 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\CC(C(C)(C)C)C/C(=C\c2cc(OC)c(OC)cc2OC)C1=O ZINC000020115558 553697113 /nfs/dbraw/zinc/69/71/13/553697113.db2.gz ZSDQJTQITAVXKM-CLVAPQHMSA-N 0 0 510.627 6.230 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100594 553698990 /nfs/dbraw/zinc/69/89/90/553698990.db2.gz CVBBSSLKMTZZJG-GDBMZVCRSA-N 0 0 659.377 8.353 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000095100403 553698992 /nfs/dbraw/zinc/69/89/92/553698992.db2.gz NTBUAJUAUPVZRX-UHFFFAOYSA-N 0 0 653.224 7.373 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020842023 553699091 /nfs/dbraw/zinc/69/90/91/553699091.db2.gz YBOBSBJIGIACQE-UHFFFAOYSA-N 0 0 525.605 5.241 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100618 553699165 /nfs/dbraw/zinc/69/91/65/553699165.db2.gz WPNSMBKTSSLOGG-SCZZXKLOSA-N 0 0 616.180 6.406 50 30 KKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850005 553699715 /nfs/dbraw/zinc/69/97/15/553699715.db2.gz VJXQNPBLJWIJKH-QFIPXVFZSA-N 0 0 509.473 6.299 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000020850520 553699927 /nfs/dbraw/zinc/69/99/27/553699927.db2.gz AHFZYTXEAZOMRG-NRFANRHFSA-N 0 0 513.436 6.130 50 30 KKEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1OC ZINC000020850484 553699928 /nfs/dbraw/zinc/69/99/28/553699928.db2.gz IDUZQVUJHBQDJP-DEOSSOPVSA-N 0 0 508.619 5.775 50 30 KKEARN O=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095676809 553707427 /nfs/dbraw/zinc/70/74/27/553707427.db2.gz BSOLVVCARHZLMT-UHFFFAOYSA-N 0 0 740.159 8.657 50 30 KKEARN C=CC(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681683 553707605 /nfs/dbraw/zinc/70/76/05/553707605.db2.gz DAEIFBGPFDVHNR-RXMQYKEDSA-N 0 0 548.189 5.476 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 ZINC000095681878 553707981 /nfs/dbraw/zinc/70/79/81/553707981.db2.gz KVLHRMQNRDJRKW-VKHMYHEASA-N 0 0 576.140 7.055 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681856 553707985 /nfs/dbraw/zinc/70/79/85/553707985.db2.gz OBAVAMUHCSFDSY-UHFFFAOYSA-N 0 0 538.066 7.193 50 30 KKEARN CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707716 553709419 /nfs/dbraw/zinc/70/94/19/553709419.db2.gz UQZFWRDNDBASDI-UHFFFAOYSA-N 0 0 642.146 7.465 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000095725703 553710776 /nfs/dbraw/zinc/71/07/76/553710776.db2.gz RPKKROYKJWTCAO-IBGZPJMESA-N 0 0 560.413 5.279 50 30 KKEARN O=C(Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000095742552 553711804 /nfs/dbraw/zinc/71/18/04/553711804.db2.gz VCBJFXUEFYCAQR-UHFFFAOYSA-N 0 0 518.788 7.515 50 30 KKEARN CS(=O)(=O)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742674 553712205 /nfs/dbraw/zinc/71/22/05/553712205.db2.gz YLIKBXOCVAIPIP-UHFFFAOYSA-N 0 0 518.319 6.896 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@@H](C(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000096021784 553717934 /nfs/dbraw/zinc/71/79/34/553717934.db2.gz CVHRGKLMMRUABK-DZWLFIIDSA-N 0 0 637.758 6.599 50 30 KKEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C ZINC000096021957 553718739 /nfs/dbraw/zinc/71/87/39/553718739.db2.gz YDKLPCOPUWWDRF-AREMUKBSSA-N 0 0 610.618 5.539 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000096022134 553719689 /nfs/dbraw/zinc/71/96/89/553719689.db2.gz VVINEIJZILBOQS-UHFFFAOYSA-N 0 0 601.728 5.667 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@]2(C)C[C@H](NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC(C)(C)C2)c1 ZINC000096022273 553720391 /nfs/dbraw/zinc/72/03/91/553720391.db2.gz CELCMRJOAJIWCQ-JRYPVQGPSA-N 0 0 572.838 8.107 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@]2(C)C[C@H](NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC(C)(C)C2)c1 ZINC000096022274 553720392 /nfs/dbraw/zinc/72/03/92/553720392.db2.gz CELCMRJOAJIWCQ-GERKYKROSA-N 0 0 572.838 8.107 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@]2(C)C[C@@H](NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC(C)(C)C2)c1 ZINC000096022276 553720758 /nfs/dbraw/zinc/72/07/58/553720758.db2.gz CELCMRJOAJIWCQ-ARPOTICCSA-N 0 0 572.838 8.107 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CC=C ZINC000096022649 553722079 /nfs/dbraw/zinc/72/20/79/553722079.db2.gz GRQLQMMAPZWRCX-UHFFFAOYSA-N 0 0 654.864 7.389 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000096022825 553722749 /nfs/dbraw/zinc/72/27/49/553722749.db2.gz PFTYNKBMHOPLQK-IBGZPJMESA-N 0 0 524.282 8.504 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)cc1 ZINC000096287528 553738851 /nfs/dbraw/zinc/73/88/51/553738851.db2.gz LWZKEPCJULXLJM-RUZDIDTESA-N 0 0 524.086 6.243 50 30 KKEARN Cc1ccc(NC(=S)N/C(=N/c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccc(C)cc2)cc1 ZINC000096346320 553752643 /nfs/dbraw/zinc/75/26/43/553752643.db2.gz IBSSKDLTUNWSDZ-UHFFFAOYSA-N 0 0 518.711 8.159 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097939709 553760409 /nfs/dbraw/zinc/76/04/09/553760409.db2.gz ZMXCQPSKYTVKEP-QUGAMOGWSA-N 0 0 602.547 5.830 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097939710 553760486 /nfs/dbraw/zinc/76/04/86/553760486.db2.gz ZMXCQPSKYTVKEP-MRDQGFSESA-N 0 0 602.547 5.830 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000097939805 553761267 /nfs/dbraw/zinc/76/12/67/553761267.db2.gz VUZAVRPTVNABEB-JRPXNJEYSA-N 0 0 592.614 6.732 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939784 553761269 /nfs/dbraw/zinc/76/12/69/553761269.db2.gz WWRACAHLGJEBNK-DFXYEROKSA-N 0 0 611.757 5.778 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000097939800 553761312 /nfs/dbraw/zinc/76/13/12/553761312.db2.gz UMNQDRFZNBAWBB-NRUKRWIHSA-N 0 0 551.687 6.079 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939811 553761561 /nfs/dbraw/zinc/76/15/61/553761561.db2.gz LBPRBHXZWNQERK-KCEHZKJRSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000097939809 553761610 /nfs/dbraw/zinc/76/16/10/553761610.db2.gz WYLLWLSAMWOFKL-JQJBXXCASA-N 0 0 566.698 6.836 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000097939838 553761851 /nfs/dbraw/zinc/76/18/51/553761851.db2.gz TWOUPJHABJJSEE-JPZYQRIQSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000097939837 553761897 /nfs/dbraw/zinc/76/18/97/553761897.db2.gz GDJAXOKOIOJBTP-CHJDUVSTSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(C)c2)cc1 ZINC000097939898 553762154 /nfs/dbraw/zinc/76/21/54/553762154.db2.gz WADREBZJJRZYFX-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000097939892 553762160 /nfs/dbraw/zinc/76/21/60/553762160.db2.gz ZNRMISXICMWZJA-URAOTHONSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000097939910 553762480 /nfs/dbraw/zinc/76/24/80/553762480.db2.gz RBGWZPBVIJVHLZ-ROTAYESASA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000097939929 553762485 /nfs/dbraw/zinc/76/24/85/553762485.db2.gz WCAIJUBGMGIMCC-MNAQKMTRSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000097939931 553762516 /nfs/dbraw/zinc/76/25/16/553762516.db2.gz WCAIJUBGMGIMCC-KTBRYMIGSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939924 553762558 /nfs/dbraw/zinc/76/25/58/553762558.db2.gz WWIACQZUVKKUKA-GJBXTBEHSA-N 0 0 582.697 6.420 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939945 553762778 /nfs/dbraw/zinc/76/27/78/553762778.db2.gz IVZTYOILNKORQH-WYOOIXGGSA-N 0 0 598.696 6.120 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OCC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097939991 553762977 /nfs/dbraw/zinc/76/29/77/553762977.db2.gz DZVXTHJGINVNSW-URAOTHONSA-N 0 0 595.689 5.061 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OCC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097939992 553762980 /nfs/dbraw/zinc/76/29/80/553762980.db2.gz DZVXTHJGINVNSW-JRPXNJEYSA-N 0 0 595.689 5.061 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000097940001 553763351 /nfs/dbraw/zinc/76/33/51/553763351.db2.gz DAOSWNSGBIQSOY-DSSGHVNRSA-N 0 0 549.689 5.175 50 30 KKEARN FC(F)(F)C(Oc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000097940214 553763780 /nfs/dbraw/zinc/76/37/80/553763780.db2.gz UQVWQMUXDAUZHO-UHFFFAOYSA-N 0 0 510.279 5.360 50 30 KKEARN N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nsc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097940248 553764159 /nfs/dbraw/zinc/76/41/59/553764159.db2.gz QVQGVWAJDQNVAS-UHFFFAOYSA-N 0 0 576.569 6.514 50 30 KKEARN CCN(CC)c1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(N(CC)CC)cc3)c2C#N)cc1 ZINC000097940379 553764962 /nfs/dbraw/zinc/76/49/62/553764962.db2.gz ZGSRUIQRODUPTF-UHFFFAOYSA-N 0 0 582.821 6.169 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(Br)cc(Br)c2)c1-c1ccc(C#N)cc1 ZINC000097940447 553765151 /nfs/dbraw/zinc/76/51/51/553765151.db2.gz FAPULZRLDYKHAS-UHFFFAOYSA-N 0 0 581.308 7.594 50 30 KKEARN CSC(=N\N=C\c1ccccc1)/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097944559 553770081 /nfs/dbraw/zinc/77/00/81/553770081.db2.gz UKERFJCBDDAYLK-VLMYDXFLSA-N 0 0 532.698 7.809 50 30 KKEARN CN(C)c1ccc(/C=N/N=C2\SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)c(O)c1 ZINC000097944563 553770103 /nfs/dbraw/zinc/77/01/03/553770103.db2.gz AUUYACATBKNECZ-BSQBJAGSSA-N 0 0 518.646 6.862 50 30 KKEARN CCSC(=N\c1ccccc1)/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097944556 553770117 /nfs/dbraw/zinc/77/01/17/553770117.db2.gz QREJWBFICSGBRO-UEZWHIHDSA-N 0 0 519.699 8.497 50 30 KKEARN CSC(=N\c1ccccc1)/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097944555 553770194 /nfs/dbraw/zinc/77/01/94/553770194.db2.gz NUSGPWBKDFITLT-HXHOTZNRSA-N 0 0 505.672 8.107 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000097944915 553770342 /nfs/dbraw/zinc/77/03/42/553770342.db2.gz HFNQWOQFFVXKEO-YRRFOMBQSA-N 0 0 532.710 7.720 50 30 KKEARN CCCCCCCCCCOc1ccc(/C=C2/SC(=S)N(C3c4ccccc4Oc4ccccc43)C2=O)cc1 ZINC000097944963 553770357 /nfs/dbraw/zinc/77/03/57/553770357.db2.gz XFLZBXLXTMKBAZ-JJKYIXSRSA-N 0 0 557.781 9.303 50 30 KKEARN CC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(CC(C)C)CC(C)C ZINC000097945229 553770618 /nfs/dbraw/zinc/77/06/18/553770618.db2.gz PMMGHCWVJSJTFQ-UHFFFAOYSA-N 0 0 512.526 5.809 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097945618 553773600 /nfs/dbraw/zinc/77/36/00/553773600.db2.gz VWXYEYCOPUXSRN-MNNSJKJDSA-N 0 0 532.606 7.755 50 30 KKEARN Cc1ccc(C)c(S(=O)(=O)N=C2C=C(S/C(N=Nc3ccccc3)=N\Nc3ccccc3)C(=O)c3ccccc32)c1 ZINC000097945961 553775697 /nfs/dbraw/zinc/77/56/97/553775697.db2.gz DAAMLGHWDYQWNG-KGWPLYHKSA-N 0 0 579.707 7.462 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccs3)C2)cc1 ZINC000097946029 553776167 /nfs/dbraw/zinc/77/61/67/553776167.db2.gz FAKLVZSYEGABCR-URAOTHONSA-N 0 0 541.072 7.625 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946186 553777142 /nfs/dbraw/zinc/77/71/42/553777142.db2.gz DFWGLDMQBSRTKG-XNENXQGPSA-N 0 0 632.742 5.224 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097946293 553778153 /nfs/dbraw/zinc/77/81/53/553778153.db2.gz KZPBWTRQWVHPPQ-UBXIJNLVSA-N 0 0 704.805 5.458 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023444929 553779622 /nfs/dbraw/zinc/77/96/22/553779622.db2.gz HGLNJESKLZRRRX-PMERELPUSA-N 0 0 512.629 5.013 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445486 553779974 /nfs/dbraw/zinc/77/99/74/553779974.db2.gz OHJAKPDIZGQWMW-MHZLTWQESA-N 0 0 524.448 5.590 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)c(C)c1 ZINC000097946542 553780039 /nfs/dbraw/zinc/78/00/39/553780039.db2.gz CODJZHVOYVJAHZ-BRPDVVIDSA-N 0 0 575.694 5.880 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S ZINC000097946633 553780796 /nfs/dbraw/zinc/78/07/96/553780796.db2.gz KERFGXUCDLWORM-BWAHOGKJSA-N 0 0 523.699 7.249 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C(O)C=Cc4ccccc4)[C@H]3c3cccnc3)s2)cc1 ZINC000097946749 553781583 /nfs/dbraw/zinc/78/15/83/553781583.db2.gz AQIDXHJXZXUOFT-XIQMRYHBSA-N 0 0 526.643 5.716 50 30 KKEARN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)c1OC ZINC000097946871 553782178 /nfs/dbraw/zinc/78/21/78/553782178.db2.gz NUYDLDNJOSZLKZ-CCVNUDIWSA-N 0 0 571.884 6.942 50 30 KKEARN O=C(N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000023452700 553782740 /nfs/dbraw/zinc/78/27/40/553782740.db2.gz BIUBFZOUUHCAEP-UHFFFAOYSA-N 0 0 500.418 5.168 50 30 KKEARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@@H](C)O1 ZINC000097947330 553785535 /nfs/dbraw/zinc/78/55/35/553785535.db2.gz QMKFEVHPMXWHBC-PFSLMRJLSA-N 0 0 525.483 5.361 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097947472 553786533 /nfs/dbraw/zinc/78/65/33/553786533.db2.gz QAZHQXYVEHZTHK-IQPMGOHCSA-N 0 0 688.806 5.699 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000023989433 553787852 /nfs/dbraw/zinc/78/78/52/553787852.db2.gz MHOBKUHCMMOILC-UHFFFAOYSA-N 0 0 515.664 5.917 50 30 KKEARN CCOc1cc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccccc1 ZINC000097947723 553788358 /nfs/dbraw/zinc/78/83/58/553788358.db2.gz VVKKRFLXFZWJOH-UQQQWYQISA-N 0 0 565.622 7.255 50 30 KKEARN Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)n1 ZINC000097947803 553788833 /nfs/dbraw/zinc/78/88/33/553788833.db2.gz WJEVMFKGYHXKIC-UHFFFAOYSA-N 0 0 542.239 6.102 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097947818 553788839 /nfs/dbraw/zinc/78/88/39/553788839.db2.gz FLZOGKAAHVTOLP-GOOPYHEFSA-N 0 0 542.679 7.885 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OC)nnc1-c1ccc(N(C)C)cc1 ZINC000097947976 553790273 /nfs/dbraw/zinc/79/02/73/553790273.db2.gz DZOMRVNTQBHSKY-UHFFFAOYSA-N 0 0 547.706 5.751 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000097948120 553791235 /nfs/dbraw/zinc/79/12/35/553791235.db2.gz VPWWYTRFJBZEGV-VKGTZQKMSA-N 0 0 553.024 8.100 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(F)(F)F)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000097948310 553792812 /nfs/dbraw/zinc/79/28/12/553792812.db2.gz LFOLCOSIEXKAQA-JPQMRUPTSA-N 0 0 562.632 8.195 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000097948422 553793616 /nfs/dbraw/zinc/79/36/16/553793616.db2.gz SHMLAMTVWRCOHT-DHYKOVJISA-N 0 0 568.733 8.437 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)s1)[C@@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025144129 553794432 /nfs/dbraw/zinc/79/44/32/553794432.db2.gz LIWUTIJGZNPYPG-PIBNZJAFSA-N 0 0 504.602 6.626 50 30 KKEARN FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(-c3nc(-c4cccs4)cc(C(F)(F)F)n3)n2)cc1 ZINC000097948541 553794668 /nfs/dbraw/zinc/79/46/68/553794668.db2.gz HXOCJMNCPUKBSY-UHFFFAOYSA-N 0 0 580.485 7.946 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(Cc2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948572 553794981 /nfs/dbraw/zinc/79/49/81/553794981.db2.gz FLWSYWGXQYTHEH-XKWLHOGNSA-N 0 0 581.587 9.865 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3cccc4ccccc43)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025146110 553795065 /nfs/dbraw/zinc/79/50/65/553795065.db2.gz SRBRXEJUIWQKCO-HKBQPEDESA-N 0 0 505.618 5.436 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000097948745 553796317 /nfs/dbraw/zinc/79/63/17/553796317.db2.gz OCPAXRCCGYMFLW-XOAACPPSSA-N 0 0 601.747 7.764 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000097948747 553796386 /nfs/dbraw/zinc/79/63/86/553796386.db2.gz OCPAXRCCGYMFLW-AIJWEMPKSA-N 0 0 601.747 7.764 50 30 KKEARN N#Cc1cccc(C(=O)N2CCN(Cc3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)CC2)c1 ZINC000025152574 553797001 /nfs/dbraw/zinc/79/70/01/553797001.db2.gz NLIZWSYHLWDVPB-UHFFFAOYSA-N 0 0 517.511 5.252 50 30 KKEARN O=C(N[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(NN=C2C(=O)Nc3ccccc32)cc1 ZINC000025153973 553797605 /nfs/dbraw/zinc/79/76/05/553797605.db2.gz ADGOIYWPRQXXFC-VWLOTQADSA-N 0 0 514.507 5.993 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097949030 553798728 /nfs/dbraw/zinc/79/87/28/553798728.db2.gz KPNDUFPHUANICP-XZJHWRHTSA-N 0 0 633.188 8.937 50 30 KKEARN COc1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)n2)cc1 ZINC000097949038 553798788 /nfs/dbraw/zinc/79/87/88/553798788.db2.gz VPMIPVUCMQZTKL-UHFFFAOYSA-N 0 0 634.336 7.469 50 30 KKEARN O=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097949290 553801028 /nfs/dbraw/zinc/80/10/28/553801028.db2.gz JFFPXXAFKAINCD-UHFFFAOYSA-N 0 0 742.242 6.540 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3)C2)cc1 ZINC000097950332 553803995 /nfs/dbraw/zinc/80/39/95/553803995.db2.gz MZQADLLFFXIEQO-ZTOMLWHTSA-N 0 0 533.594 6.996 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C(=O)c3ccccc3)c2)c1-c1ccc(C#N)cc1 ZINC000025165021 553804296 /nfs/dbraw/zinc/80/42/96/553804296.db2.gz DCPVBATWAYSDOT-UHFFFAOYSA-N 0 0 527.624 7.300 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1NC(=O)c1ccc2ccccc2c1O ZINC000097950608 553805048 /nfs/dbraw/zinc/80/50/48/553805048.db2.gz UWZJOCBIODPHQJ-UHFFFAOYSA-N 0 0 531.781 10.438 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950759 553805510 /nfs/dbraw/zinc/80/55/10/553805510.db2.gz PFSGQJMYDUORRD-QFIPXVFZSA-N 0 0 589.817 8.607 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950764 553805549 /nfs/dbraw/zinc/80/55/49/553805549.db2.gz UWSCEKLINMNTBM-QFIPXVFZSA-N 0 0 648.910 8.481 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000097950819 553805740 /nfs/dbraw/zinc/80/57/40/553805740.db2.gz AMWYVOUNDINEBE-DEOSSOPVSA-N 0 0 580.066 7.835 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(N2C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950857 553805772 /nfs/dbraw/zinc/80/57/72/553805772.db2.gz PVTVKXXCRWNXGY-SECBINFHSA-N 0 0 547.218 5.370 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000097950906 553805999 /nfs/dbraw/zinc/80/59/99/553805999.db2.gz WOJFBBAMSJUISJ-QHCPKHFHSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951096 553807075 /nfs/dbraw/zinc/80/70/75/553807075.db2.gz TURCIZIYGOVBNP-MFMCTBQISA-N 0 0 505.058 7.940 50 30 KKEARN CCCCCCCCn1c2ccccc2nc1NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000097951290 553808113 /nfs/dbraw/zinc/80/81/13/553808113.db2.gz VAMOMITZODBMKI-UHFFFAOYSA-N 0 0 504.700 7.118 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000097951373 553808563 /nfs/dbraw/zinc/80/85/63/553808563.db2.gz SCUKFAUXEOFIKS-XDFJSJKPSA-N 0 0 533.112 8.720 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1c2ccccc2cc2ccccc21 ZINC000097951422 553808842 /nfs/dbraw/zinc/80/88/42/553808842.db2.gz JWDJQCZATQYZFR-UHFFFAOYSA-N 0 0 547.831 11.436 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000097951432 553808858 /nfs/dbraw/zinc/80/88/58/553808858.db2.gz BSAGYUOTFJHYHX-WJOKGBTCSA-N 0 0 535.744 9.194 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000097951401 553808875 /nfs/dbraw/zinc/80/88/75/553808875.db2.gz QMLRCYPFQIDCDO-UHFFFAOYSA-N 0 0 542.606 9.598 50 30 KKEARN COc1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(Br)cc3)cc2)c(OC)c1 ZINC000025558076 553809806 /nfs/dbraw/zinc/80/98/06/553809806.db2.gz CMPOBVPVQRQYEO-MKMNVTDBSA-N 0 0 503.370 5.130 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097951572 553809939 /nfs/dbraw/zinc/80/99/39/553809939.db2.gz HNNFPGASZYCWFD-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000025560493 553810086 /nfs/dbraw/zinc/81/00/86/553810086.db2.gz ASQBFXHHKDNDRX-UHFFFAOYSA-N 0 0 517.975 7.592 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000097951652 553810545 /nfs/dbraw/zinc/81/05/45/553810545.db2.gz OCNIZBRYRBPXJP-PMERELPUSA-N 0 0 503.727 8.746 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097951710 553810832 /nfs/dbraw/zinc/81/08/32/553810832.db2.gz XWHGPOJRRDAREM-HKBQPEDESA-N 0 0 546.667 7.045 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951813 553811487 /nfs/dbraw/zinc/81/14/87/553811487.db2.gz ABDULZNRKDORAP-JOCHJYFZSA-N 0 0 519.420 6.459 50 30 KKEARN N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025585384 553812225 /nfs/dbraw/zinc/81/22/25/553812225.db2.gz SMAUYRZONZNLJF-IAFJJVFGSA-N 0 0 514.545 6.886 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000025783297 553813872 /nfs/dbraw/zinc/81/38/72/553813872.db2.gz GTVJUSNDNWSBBX-XHCCPWGMSA-N 0 0 503.524 6.101 50 30 KKEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)c(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000025782798 553813877 /nfs/dbraw/zinc/81/38/77/553813877.db2.gz DSYATTUTTZVCHI-VUTHCHCSSA-N 0 0 501.608 5.256 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952284 553814518 /nfs/dbraw/zinc/81/45/18/553814518.db2.gz LHKBRLFQZACPHF-QFIPXVFZSA-N 0 0 519.420 6.404 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952286 553814809 /nfs/dbraw/zinc/81/48/09/553814809.db2.gz BLKJVNYTSRDRDJ-SANMLTNESA-N 0 0 544.629 6.058 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000097952324 553815038 /nfs/dbraw/zinc/81/50/38/553815038.db2.gz ZNJCIYNYZFQONI-PMERELPUSA-N 0 0 534.612 6.146 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000097952522 553816303 /nfs/dbraw/zinc/81/63/03/553816303.db2.gz OUHYDTKCLCJREC-HHHXNRCGSA-N 0 0 542.657 6.828 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000097952526 553816363 /nfs/dbraw/zinc/81/63/63/553816363.db2.gz KZNLBNCMLXRGFD-GDLZYMKVSA-N 0 0 537.616 5.448 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097952524 553816372 /nfs/dbraw/zinc/81/63/72/553816372.db2.gz TZEBVDMXQUJKHK-SSEXGKCCSA-N 0 0 533.628 5.814 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952587 553816973 /nfs/dbraw/zinc/81/69/73/553816973.db2.gz YGDWLQHLRDEHFA-LJAQVGFWSA-N 0 0 537.616 5.448 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097953076 553819055 /nfs/dbraw/zinc/81/90/55/553819055.db2.gz RHWRTWVGDUFXGD-SANMLTNESA-N 0 0 542.613 5.812 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953067 553819104 /nfs/dbraw/zinc/81/91/04/553819104.db2.gz AQRHPFGCYONOMP-VWLOTQADSA-N 0 0 544.585 5.258 50 30 KKEARN Oc1ccc(Br)cc1C(C[C@@H](NNc1ccccc1)c1ccc(F)cc1)=NNc1ccccc1 ZINC000026534192 553819416 /nfs/dbraw/zinc/81/94/16/553819416.db2.gz CRDLHLNGBKYTBY-OOCQWHAFSA-N 0 0 519.418 6.858 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097954016 553820683 /nfs/dbraw/zinc/82/06/83/553820683.db2.gz WMDAWCCLWSZCIF-WRONEBCDSA-N 0 0 542.632 5.761 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097954168 553821846 /nfs/dbraw/zinc/82/18/46/553821846.db2.gz CMQBZDACFWOFTQ-DFXYEROKSA-N 0 0 541.644 6.366 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1C ZINC000027019885 553823762 /nfs/dbraw/zinc/82/37/62/553823762.db2.gz KZDNKOWSOIFMJZ-IMRQLAEWSA-N 0 0 523.683 7.127 50 30 KKEARN CCCCCCCSc1nnc2n1-c1nnc(SCCCCCCC)n1-c1sc3c(c1-2)CC[C@H](C)C3 ZINC000097954562 553824133 /nfs/dbraw/zinc/82/41/33/553824133.db2.gz FTZYAPMSKRAIEU-IBGZPJMESA-N 0 0 544.860 8.140 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954745 553825398 /nfs/dbraw/zinc/82/53/98/553825398.db2.gz NPCUNQIFFLPHCZ-UVDDSOTQSA-N 0 0 531.608 6.368 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc21 ZINC000097954832 553825786 /nfs/dbraw/zinc/82/57/86/553825786.db2.gz YETPOCNHYAELQK-UHFFFAOYSA-N 0 0 529.685 6.746 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954999 553827130 /nfs/dbraw/zinc/82/71/30/553827130.db2.gz ZSTPJSPASHUBDN-OYLFLEFRSA-N 0 0 532.618 5.549 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955024 553827503 /nfs/dbraw/zinc/82/75/03/553827503.db2.gz HXKXCGDYAOBFQG-QMTYFTJSSA-N 0 0 545.060 7.179 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c2nc3ccccc3nc21 ZINC000097955052 553827804 /nfs/dbraw/zinc/82/78/04/553827804.db2.gz ZEFURWKTNVJGGL-DEOSSOPVSA-N 0 0 507.767 8.032 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955040 553828012 /nfs/dbraw/zinc/82/80/12/553828012.db2.gz KFSUTYYSYOISJL-CPJLOUKISA-N 0 0 546.645 5.939 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000097955096 553828300 /nfs/dbraw/zinc/82/83/00/553828300.db2.gz MUOTXTXHMXSLDV-SGANQWHYSA-N 0 0 528.586 5.507 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000097955095 553828334 /nfs/dbraw/zinc/82/83/34/553828334.db2.gz MUOTXTXHMXSLDV-ODCWNRFASA-N 0 0 528.586 5.507 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955085 553828367 /nfs/dbraw/zinc/82/83/67/553828367.db2.gz IOMDXLIZGUSVTP-XGCWNURASA-N 0 0 540.641 6.535 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955114 553828672 /nfs/dbraw/zinc/82/86/72/553828672.db2.gz IZJZSYDKKSZKQN-DXPJPUQTSA-N 0 0 542.632 6.839 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000027522325 553828719 /nfs/dbraw/zinc/82/87/19/553828719.db2.gz NBARFVLCFJWYFN-PGWWVJEZSA-N 0 0 521.614 5.354 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2ccccc2)cc1OC ZINC000027522316 553828781 /nfs/dbraw/zinc/82/87/81/553828781.db2.gz KAFNBKMBCMHXNY-OJEZVBBGSA-N 0 0 503.624 5.215 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955123 553828782 /nfs/dbraw/zinc/82/87/82/553828782.db2.gz XGMGPSDZBMMGRY-AKJBCIBTSA-N 0 0 542.613 5.734 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000027522502 553828982 /nfs/dbraw/zinc/82/89/82/553828982.db2.gz ZLNKRJADRGGKMK-DXWCKFLSSA-N 0 0 503.624 5.297 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522558 553829329 /nfs/dbraw/zinc/82/93/29/553829329.db2.gz XCZHYNUSFPSUBO-YRUIYKTESA-N 0 0 511.962 5.368 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955232 553830307 /nfs/dbraw/zinc/83/03/07/553830307.db2.gz REEXOHVOGRQKHE-GSTQUKTASA-N 0 0 648.737 7.389 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955259 553830374 /nfs/dbraw/zinc/83/03/74/553830374.db2.gz FSWZYYONRZLUSZ-XRHLQHRESA-N 0 0 538.625 6.276 50 30 KKEARN COc1ccc(C(=O)On2c(=O)c3ccccc3nc2-c2ccc(C(C)(C)C)cc2)cc1Br ZINC000027527705 553830502 /nfs/dbraw/zinc/83/05/02/553830502.db2.gz IEJTVOHIMCGPAN-UHFFFAOYSA-N 0 0 507.384 5.401 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097955588 553831496 /nfs/dbraw/zinc/83/14/96/553831496.db2.gz OBWWPUGFELGZCX-DXPJPUQTSA-N 0 0 542.613 5.810 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529810 553831544 /nfs/dbraw/zinc/83/15/44/553831544.db2.gz RZABXKTUVMYLIN-WNSKOXEYSA-N 0 0 505.596 5.132 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955601 553831637 /nfs/dbraw/zinc/83/16/37/553831637.db2.gz HHSAHDPRDVBNNE-IQMFZBJNSA-N 0 0 548.617 5.133 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955629 553832066 /nfs/dbraw/zinc/83/20/66/553832066.db2.gz ATCIFEOOTWDWKI-PKHCJMHPSA-N 0 0 604.684 6.990 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097955613 553832069 /nfs/dbraw/zinc/83/20/69/553832069.db2.gz RMWCCLOOBRJDTN-LGGPFLRQSA-N 0 0 535.600 5.667 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955687 553832677 /nfs/dbraw/zinc/83/26/77/553832677.db2.gz PYEUIRYLLVTZGS-MYYSRTQBSA-N 0 0 527.558 5.619 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955681 553832689 /nfs/dbraw/zinc/83/26/89/553832689.db2.gz OXBUWBPABFFGEW-MYUZEXMDSA-N 0 0 540.641 6.500 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955680 553832699 /nfs/dbraw/zinc/83/26/99/553832699.db2.gz OXBUWBPABFFGEW-XRHLQHRESA-N 0 0 540.641 6.500 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955691 553832710 /nfs/dbraw/zinc/83/27/10/553832710.db2.gz LBSUXIAXGXSGIQ-SGANQWHYSA-N 0 0 531.033 6.618 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955693 553832849 /nfs/dbraw/zinc/83/28/49/553832849.db2.gz AIEXQUWTZBIGOD-WNSKOXEYSA-N 0 0 532.618 5.468 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955728 553833103 /nfs/dbraw/zinc/83/31/03/553833103.db2.gz RAGZBCVUFQDARK-WEZXKFLESA-N 0 0 636.701 7.519 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955715 553833176 /nfs/dbraw/zinc/83/31/76/553833176.db2.gz XHABPQRVFHKLBF-ADSBAMQRSA-N 0 0 592.648 7.121 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955713 553833181 /nfs/dbraw/zinc/83/31/81/553833181.db2.gz XHABPQRVFHKLBF-HZAQMHFWSA-N 0 0 592.648 7.121 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955718 553833214 /nfs/dbraw/zinc/83/32/14/553833214.db2.gz CUFKJRYYJSMKSC-XRHLQHRESA-N 0 0 540.641 6.500 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000097955751 553833609 /nfs/dbraw/zinc/83/36/09/553833609.db2.gz HGYHCUIKPNFRTD-PMERELPUSA-N 0 0 533.628 5.814 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955749 553833629 /nfs/dbraw/zinc/83/36/29/553833629.db2.gz VCIJWGKXDIGZOC-CPJLOUKISA-N 0 0 541.585 5.928 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C4SC(CC(C)C)=NN4C3=N)cc2)c(OC)c1 ZINC000027549809 553834100 /nfs/dbraw/zinc/83/41/00/553834100.db2.gz NZZZJSRDWNSZNQ-UAJGQANVSA-N 0 0 518.639 5.547 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000027550925 553834381 /nfs/dbraw/zinc/83/43/81/553834381.db2.gz SFSASJUSQJUBDK-FQRUVTKNSA-N 0 0 515.704 6.482 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1)[C@@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000097955991 553835461 /nfs/dbraw/zinc/83/54/61/553835461.db2.gz BXASGWTXRFZPJC-UMJKEKGKSA-N 0 0 550.768 8.395 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956554 553839425 /nfs/dbraw/zinc/83/94/25/553839425.db2.gz FXSFLJYGLYTHIK-AKJBCIBTSA-N 0 0 542.588 6.107 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097956570 553839821 /nfs/dbraw/zinc/83/98/21/553839821.db2.gz JOYRKHIDEAISSM-LJJVSIPNSA-N 0 0 680.754 6.961 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000097956788 553841785 /nfs/dbraw/zinc/84/17/85/553841785.db2.gz CKUMKEFVYPGAHL-KMRXNPHXSA-N 0 0 543.758 7.126 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097956853 553842630 /nfs/dbraw/zinc/84/26/30/553842630.db2.gz AUSBMIBQPFLGCQ-QHCPKHFHSA-N 0 0 532.618 5.457 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956864 553842739 /nfs/dbraw/zinc/84/27/39/553842739.db2.gz PLXPISICNHCOHE-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097956880 553842945 /nfs/dbraw/zinc/84/29/45/553842945.db2.gz KOTKKWBOEHDFQG-NDEPHWFRSA-N 0 0 594.689 6.773 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956881 553843002 /nfs/dbraw/zinc/84/30/02/553843002.db2.gz SFHUZFFOARXPEK-XMMPIXPASA-N 0 0 560.628 5.459 50 30 KKEARN CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC(C)C)CC(C)C)C1 ZINC000029492052 553845408 /nfs/dbraw/zinc/84/54/08/553845408.db2.gz GIKUBILGXYMSLL-MVAKIDQKSA-N 0 0 614.813 5.428 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C2=N)S1 ZINC000097957791 553848350 /nfs/dbraw/zinc/84/83/50/553848350.db2.gz BHUHLMDQLYCHJM-SRZRYEEMSA-N 0 0 546.737 7.422 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000029747951 553849213 /nfs/dbraw/zinc/84/92/13/553849213.db2.gz BHCXWBVXWFKDBI-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000029747961 553849253 /nfs/dbraw/zinc/84/92/53/553849253.db2.gz BEOFNPMJUXRYNE-UKPGIYTDSA-N 0 0 568.626 5.441 50 30 KKEARN CCOc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000097957955 553849815 /nfs/dbraw/zinc/84/98/15/553849815.db2.gz AMMKGWBXQRWWKI-YQBCOLPVSA-N 0 0 537.601 5.234 50 30 KKEARN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C2=N)S1 ZINC000097957986 553850065 /nfs/dbraw/zinc/85/00/65/553850065.db2.gz FORPFITWODUXSC-CZBKRSFESA-N 0 0 585.427 5.170 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CCCC)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000097958057 553850806 /nfs/dbraw/zinc/85/08/06/553850806.db2.gz GVHLEUAZCGCKTC-NRKQKUOFSA-N 0 0 548.665 5.699 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2CCc2ccccc2F)cc1 ZINC000097958190 553852040 /nfs/dbraw/zinc/85/20/40/553852040.db2.gz BMLVGRYTGQDODE-TUIIRILJSA-N 0 0 554.043 5.859 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1cccc(C)c1 ZINC000097958279 553852670 /nfs/dbraw/zinc/85/26/70/553852670.db2.gz IHDWHOGBYYPQDK-UHFFFAOYSA-N 0 0 536.293 6.004 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000097958390 553853980 /nfs/dbraw/zinc/85/39/80/553853980.db2.gz RBLUYGBBDZNAGN-UHFFFAOYSA-N 0 0 586.737 6.261 50 30 KKEARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000097958454 553854733 /nfs/dbraw/zinc/85/47/33/553854733.db2.gz KALOZMKROXMTLG-UHFFFAOYSA-N 0 0 540.464 6.842 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1I ZINC000097958836 553858031 /nfs/dbraw/zinc/85/80/31/553858031.db2.gz HXDAWKPEFQUANC-RYOBIWAXSA-N 0 0 803.460 6.047 50 30 KKEARN COc1ccc(CN=Nc2nc(N=NCc3cccc(OC)c3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000097958869 553858310 /nfs/dbraw/zinc/85/83/10/553858310.db2.gz RGMKFRDXCVJQFW-VANQDGIVSA-N 0 0 604.671 6.268 50 30 KKEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000097958904 553858732 /nfs/dbraw/zinc/85/87/32/553858732.db2.gz HHCFRVCCOQONOH-VFPKNACXSA-N 0 0 526.061 7.090 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C4SC(C5CCCCC5)=NN4C3=N)cc2OCC)c(OC)c1 ZINC000097959199 553861765 /nfs/dbraw/zinc/86/17/65/553861765.db2.gz IIHLPEGUVHGGGN-WVPVPYGLSA-N 0 0 588.730 6.480 50 30 KKEARN CCC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000031902254 553862148 /nfs/dbraw/zinc/86/21/48/553862148.db2.gz WTMUXVDKPPSSBO-RKZRYHITSA-N 0 0 510.457 6.245 50 30 KKEARN Cc1cc(OCCOc2c(Cl)cc(Cl)cc2C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1Cl ZINC000097959444 553863962 /nfs/dbraw/zinc/86/39/62/553863962.db2.gz VFXAIKCOXQIVDU-KCSSXMTESA-N 0 0 589.955 6.849 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)c1 ZINC000097959705 553865441 /nfs/dbraw/zinc/86/54/41/553865441.db2.gz IBDBFSNYFBLSNC-HFJFZZAHSA-N 0 0 560.022 6.414 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000097959700 553865449 /nfs/dbraw/zinc/86/54/49/553865449.db2.gz DSERPIWISNAFMH-YICFVICHSA-N 0 0 580.106 6.118 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000032123421 553865535 /nfs/dbraw/zinc/86/55/35/553865535.db2.gz QDKVMYKHNIKGFM-YQYKVWLJSA-N 0 0 507.642 5.837 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(C#N)cc1 ZINC000097959800 553866080 /nfs/dbraw/zinc/86/60/80/553866080.db2.gz HDOVJMAKLADXSD-PMERELPUSA-N 0 0 548.643 5.784 50 30 KKEARN COc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c1OCC(=O)Nc1ccccc1 ZINC000097959825 553866367 /nfs/dbraw/zinc/86/63/67/553866367.db2.gz NXCQMUQIBLSZDN-DEDYPNTBSA-N 0 0 528.417 5.911 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000097959847 553866447 /nfs/dbraw/zinc/86/64/47/553866447.db2.gz KNHLQXDAFDLERJ-SSEXGKCCSA-N 0 0 665.028 7.945 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097960020 553867549 /nfs/dbraw/zinc/86/75/49/553867549.db2.gz PBWAOCFLQXGNPZ-UGOHAPBYSA-N 0 0 660.924 10.561 50 30 KKEARN C=CCc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000097960085 553868008 /nfs/dbraw/zinc/86/80/08/553868008.db2.gz JSXYQRNFVLWQOI-YUMHPJSZSA-N 0 0 550.615 5.104 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3cccc(C)c3C)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000097960146 553868556 /nfs/dbraw/zinc/86/85/56/553868556.db2.gz FSAHEYVQPFXARB-STBIYBPSSA-N 0 0 586.555 7.944 50 30 KKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(I)c(OC(C)C)c(OCC)c3)S2)cc1 ZINC000097960204 553868827 /nfs/dbraw/zinc/86/88/27/553868827.db2.gz ARCINEKYEZVSKO-MOSHPQCFSA-N 0 0 552.434 5.767 50 30 KKEARN Cc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)o2)c(Br)c1 ZINC000097960403 553871289 /nfs/dbraw/zinc/87/12/89/553871289.db2.gz YVIZMRCHEYNTAI-AHHHDHMGSA-N 0 0 519.420 7.415 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br ZINC000097960927 553874416 /nfs/dbraw/zinc/87/44/16/553874416.db2.gz WKRXSZLJKZWZFG-RGVLZGJSSA-N 0 0 537.207 6.644 50 30 KKEARN COc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3cc4c(cc3[nH]2)OCCO4)cc(OC)c1OC ZINC000032739805 553874503 /nfs/dbraw/zinc/87/45/03/553874503.db2.gz GNXUNRISCWGPOF-GRSHGNNSSA-N 0 0 511.534 5.265 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2OC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000097961052 553875059 /nfs/dbraw/zinc/87/50/59/553875059.db2.gz PQQNCOXAZNQWKI-HMNPYCRMSA-N 0 0 536.694 6.936 50 30 KKEARN CSC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc(Cl)cc1 ZINC000032818824 553875317 /nfs/dbraw/zinc/87/53/17/553875317.db2.gz CFJIGJNLHJCAFI-OAQYLSRUSA-N 0 0 514.390 6.630 50 30 KKEARN Cc1c(Cl)cccc1-n1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nnc1-c1ccncc1 ZINC000032910177 553875847 /nfs/dbraw/zinc/87/58/47/553875847.db2.gz XVVWVRDYCNLKOR-XYGWBWBKSA-N 0 0 516.070 6.264 50 30 KKEARN COc1cc(C(=O)Oc2cc3c4c(c2)[C@@H](C)CC(C)(C)N4C(=O)/C3=N/c2ccc(F)cc2)cc(OC)c1OC ZINC000097961721 553880342 /nfs/dbraw/zinc/88/03/42/553880342.db2.gz HOYZHNXJUSNBIV-OCMYEURWSA-N 0 0 532.568 5.824 50 30 KKEARN COc1ccc2[nH]cc(CCNC(=NC(=O)COc3ccc(Cl)cc3Cl)Nc3nc(C)cc(C)n3)c2c1 ZINC000097961808 553880819 /nfs/dbraw/zinc/88/08/19/553880819.db2.gz DJQWQJLPJMXGRQ-UHFFFAOYSA-N 0 0 541.439 5.096 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000097961889 553881412 /nfs/dbraw/zinc/88/14/12/553881412.db2.gz TVTCVKNNJFPZQV-HIWRWHBISA-N 0 0 589.412 7.683 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccccc2)cc1OC ZINC000097962009 553882269 /nfs/dbraw/zinc/88/22/69/553882269.db2.gz WHHMKURQLSFJDG-AXPYDQDRSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccccc2)cc1 ZINC000097962012 553882352 /nfs/dbraw/zinc/88/23/52/553882352.db2.gz REZJHHRLOFLOJE-YWYMDWNWSA-N 0 0 557.614 5.854 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccccc2)cc1 ZINC000097962013 553882354 /nfs/dbraw/zinc/88/23/54/553882354.db2.gz REZJHHRLOFLOJE-PZOLXMAOSA-N 0 0 557.614 5.854 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097962050 553882472 /nfs/dbraw/zinc/88/24/72/553882472.db2.gz URIXABPVXYAGQB-CTXJTIKKSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000097962029 553882494 /nfs/dbraw/zinc/88/24/94/553882494.db2.gz DVAILZWRCMTMQP-DTUGYKJQSA-N 0 0 573.609 6.140 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1OC ZINC000097962056 553882854 /nfs/dbraw/zinc/88/28/54/553882854.db2.gz HLLKSTQSNQFSLQ-XCKNBCKJSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097962064 553882858 /nfs/dbraw/zinc/88/28/58/553882858.db2.gz ULGUCBOOIYZYPL-XCKNBCKJSA-N 0 0 557.610 6.521 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C(=O)/C=C/c6ccccc6)c4)C5=O)cc3C2=O)c1 ZINC000097962186 553883577 /nfs/dbraw/zinc/88/35/77/553883577.db2.gz WSWVBMWETMBBHA-GJHDBBOXSA-N 0 0 720.737 8.872 50 30 KKEARN C=CCOc1c(Br)cc(C=C2SC(Nc3ccc(OCC)cc3)=NC2=O)cc1Br ZINC000097962642 553884935 /nfs/dbraw/zinc/88/49/35/553884935.db2.gz FJCABYVFLQLZST-LDADJPATSA-N 0 0 538.261 6.258 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(CC)C3)cc1 ZINC000097963407 553889845 /nfs/dbraw/zinc/88/98/45/553889845.db2.gz JFUWISNDDDCKAL-UHFFFAOYSA-N 0 0 578.785 6.018 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000097964012 553895739 /nfs/dbraw/zinc/89/57/39/553895739.db2.gz RKCVFYNXCCAPRA-IYALJGTRSA-N 0 0 548.133 7.816 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CCCCCCC)SC3=NC2=O)cc1OCC ZINC000097964053 553895903 /nfs/dbraw/zinc/89/59/03/553895903.db2.gz FTWDHCJZVPHQOT-QITZNMLQSA-N 0 0 574.747 7.251 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2cc(Br)ccc2O)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000097965396 553904511 /nfs/dbraw/zinc/90/45/11/553904511.db2.gz WUZMWORUHHVOCM-XAZZYMPDSA-N 0 0 615.417 6.845 50 30 KKEARN COc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c21 ZINC000097965898 553906178 /nfs/dbraw/zinc/90/61/78/553906178.db2.gz OSAAFHUCBSQOOW-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000097966194 553907362 /nfs/dbraw/zinc/90/73/62/553907362.db2.gz VAGVNQDPWQQZAA-UHFFFAOYSA-N 0 0 525.619 10.727 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000097966270 553907853 /nfs/dbraw/zinc/90/78/53/553907853.db2.gz WXFBPFWRBMGVPO-FJXAFNGESA-N 0 0 555.497 7.832 50 30 KKEARN CC1(C)C[C@@H](n2c(=O)c3c(nc2N/N=C/c2ccc(Br)cc2)-c2ccccc2CC32CCCCC2)CCO1 ZINC000097966366 553908429 /nfs/dbraw/zinc/90/84/29/553908429.db2.gz ZOOFONQWZORLEP-OPTGPXFYSA-N 0 0 575.551 7.007 50 30 KKEARN N#CC(C(=O)Nc1cccc(Cl)c1)=c1sc(=Cc2cn(Cc3ccccc3)c3ccccc23)c(=O)n1-c1ccccc1 ZINC000097966703 553909669 /nfs/dbraw/zinc/90/96/69/553909669.db2.gz UMQISBJFCJBMBV-NIKHNSCNSA-N 0 0 587.104 6.347 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097966843 553911041 /nfs/dbraw/zinc/91/10/41/553911041.db2.gz OGWCBFZVKWTKIE-BGOLNKOXSA-N 0 0 565.622 6.359 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966872 553911161 /nfs/dbraw/zinc/91/11/61/553911161.db2.gz XWAPJBABMACFLN-WJOKGBTCSA-N 0 0 578.750 8.663 50 30 KKEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000033154897 553911395 /nfs/dbraw/zinc/91/13/95/553911395.db2.gz BXEBIZIOZORDAY-RGFRMHDHSA-N 0 0 525.674 5.062 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097966900 553911434 /nfs/dbraw/zinc/91/14/34/553911434.db2.gz MVUTZBKMDTYKOT-HKBQPEDESA-N 0 0 554.687 5.437 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966905 553911959 /nfs/dbraw/zinc/91/19/59/553911959.db2.gz VVXUMKIXITZERC-YTTGMZPUSA-N 0 0 563.650 6.981 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000097966914 553911965 /nfs/dbraw/zinc/91/19/65/553911965.db2.gz HEEQRHZPHKVVPP-GDLZYMKVSA-N 0 0 544.623 5.014 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097967012 553912643 /nfs/dbraw/zinc/91/26/43/553912643.db2.gz PGTJNLXOATZFDX-URAOTHONSA-N 0 0 556.659 6.007 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967216 553915315 /nfs/dbraw/zinc/91/53/15/553915315.db2.gz ACDQGJAYPDPCRM-GHRAFVERSA-N 0 0 561.634 6.376 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967231 553915360 /nfs/dbraw/zinc/91/53/60/553915360.db2.gz AOTJTDZCRFGVMY-HMILPKGGSA-N 0 0 554.668 6.808 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967292 553916315 /nfs/dbraw/zinc/91/63/15/553916315.db2.gz ARSPPJOWCMRPOE-MYUZEXMDSA-N 0 0 596.661 5.923 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000097967333 553917227 /nfs/dbraw/zinc/91/72/27/553917227.db2.gz GCEBANXJHIPTKP-WXWRVKOQSA-N 0 0 564.210 9.799 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967386 553917635 /nfs/dbraw/zinc/91/76/35/553917635.db2.gz HAMPJURZEFITQN-PBBNMVCDSA-N 0 0 559.663 5.309 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967388 553917715 /nfs/dbraw/zinc/91/77/15/553917715.db2.gz HAMPJURZEFITQN-ONOMSOESSA-N 0 0 559.663 5.309 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967453 553918371 /nfs/dbraw/zinc/91/83/71/553918371.db2.gz AUVUHUUSWSYYMU-KEEVHDRGSA-N 0 0 598.721 7.226 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967440 553918527 /nfs/dbraw/zinc/91/85/27/553918527.db2.gz MDEUDPYMMFEUJI-XBBWARJSSA-N 0 0 582.678 6.675 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967472 553918900 /nfs/dbraw/zinc/91/89/00/553918900.db2.gz NMQJZRQLTASKJQ-HEIROHQZSA-N 0 0 593.680 5.853 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967599 553920627 /nfs/dbraw/zinc/92/06/27/553920627.db2.gz LMJKMAVCZXWNGS-QJWGWKRISA-N 0 0 628.747 7.379 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967646 553921309 /nfs/dbraw/zinc/92/13/09/553921309.db2.gz GQDBYZUWOKBZJV-QUGAMOGWSA-N 0 0 604.681 5.698 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967643 553921375 /nfs/dbraw/zinc/92/13/75/553921375.db2.gz GQDBYZUWOKBZJV-MRDQGFSESA-N 0 0 604.681 5.698 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967700 553921778 /nfs/dbraw/zinc/92/17/78/553921778.db2.gz ZQVMHQJFPSCQQG-SOKVYYICSA-N 0 0 586.666 6.045 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000097967712 553922365 /nfs/dbraw/zinc/92/23/65/553922365.db2.gz SXNVPCWBFHZHRR-SSEXGKCCSA-N 0 0 556.162 9.539 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967765 553922726 /nfs/dbraw/zinc/92/27/26/553922726.db2.gz QWTKHTQEXANXAI-SLQAJWMNSA-N 0 0 640.714 6.322 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967782 553922964 /nfs/dbraw/zinc/92/29/64/553922964.db2.gz ANYVRNIVOJHQBM-JXNPFXPLSA-N 0 0 662.764 7.779 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967818 553923680 /nfs/dbraw/zinc/92/36/80/553923680.db2.gz XQBAFDRHSSGQHK-PKHCJMHPSA-N 0 0 604.684 6.990 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000033353450 553925492 /nfs/dbraw/zinc/92/54/92/553925492.db2.gz NEVJFVZKAODIFW-GDLZYMKVSA-N 0 0 535.512 8.637 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967979 553925685 /nfs/dbraw/zinc/92/56/85/553925685.db2.gz BPKNZSOEMHGBBX-CBZJRKILSA-N 0 0 558.631 6.721 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]4c2ccccc2)cc1 ZINC000097967993 553926254 /nfs/dbraw/zinc/92/62/54/553926254.db2.gz NWXXHNOJFTUIFG-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000033353684 553926457 /nfs/dbraw/zinc/92/64/57/553926457.db2.gz FTROQAPDQOXVAQ-VTRQEKABSA-N 0 0 546.649 5.607 50 30 KKEARN CC(C)(C)c1cc(Cc2cc3c(cc2N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)OCCO3)cc(C(C)(C)C)c1O ZINC000033353817 553927076 /nfs/dbraw/zinc/92/70/76/553927076.db2.gz RYIGXDNFDSZKDG-UHFFFAOYSA-N 0 0 571.802 8.949 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000097968116 553928012 /nfs/dbraw/zinc/92/80/12/553928012.db2.gz DQKMCYZDIWFCDV-KMKLGREJSA-N 0 0 529.765 9.146 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968160 553928449 /nfs/dbraw/zinc/92/84/49/553928449.db2.gz WKWRSWGKHUOIBH-WGDIFIGCSA-N 0 0 560.672 6.329 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)[C@@H]3c3ccc(C)s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000033354215 553929009 /nfs/dbraw/zinc/92/90/09/553929009.db2.gz CLWNJLHIWGUREQ-TYHGNQNSSA-N 0 0 716.966 8.201 50 30 KKEARN CCOc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]23)cc1 ZINC000033354271 553929227 /nfs/dbraw/zinc/92/92/27/553929227.db2.gz SNZMYKOCJBYYBR-RRGMHWAFSA-N 0 0 542.635 6.437 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@@](F)(O[C@@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033354446 553929704 /nfs/dbraw/zinc/92/97/04/553929704.db2.gz KXJDIALQJFVHGQ-SCZZXKLOSA-N 0 0 650.079 7.260 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968302 553930319 /nfs/dbraw/zinc/93/03/19/553930319.db2.gz XRCQEQOVTRJSGM-WWOZWPLTSA-N 0 0 616.711 7.365 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000033354611 553930445 /nfs/dbraw/zinc/93/04/45/553930445.db2.gz BGDBXUBUMLJZRC-FSPSLNBNSA-N 0 0 522.788 6.142 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000033354613 553930553 /nfs/dbraw/zinc/93/05/53/553930553.db2.gz BGDBXUBUMLJZRC-GYRQNLHBSA-N 0 0 522.788 6.142 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968348 553930898 /nfs/dbraw/zinc/93/08/98/553930898.db2.gz QMZDGQSIGVMSPD-CBZJRKILSA-N 0 0 554.624 5.976 50 30 KKEARN C/N=C1\S/C(=C\c2cc(Cl)c(OCc3cccc(I)c3)c(OC)c2)C(=O)N1C ZINC000033354734 553931146 /nfs/dbraw/zinc/93/11/46/553931146.db2.gz UEJZKMITUKTHCL-PLISCHTNSA-N 0 0 528.799 5.064 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000033354988 553932684 /nfs/dbraw/zinc/93/26/84/553932684.db2.gz CDXRSUQFAPYXKQ-BIYCFNCWSA-N 0 0 652.641 6.380 50 30 KKEARN COc1cc(-c2ccc(NC(=O)c3sc4nc(N)c(C#N)cc4c3N)c(OC)c2)ccc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N ZINC000033355144 553933132 /nfs/dbraw/zinc/93/31/32/553933132.db2.gz UPGUZMSFZPFEJX-UHFFFAOYSA-N 0 0 676.744 5.167 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000033355180 553933447 /nfs/dbraw/zinc/93/34/47/553933447.db2.gz GDWRRQJYZYAPDD-WYOOIXGGSA-N 0 0 639.546 7.689 50 30 KKEARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000033355171 553933497 /nfs/dbraw/zinc/93/34/97/553933497.db2.gz GWIASPLCCZJSRZ-CFRMEGHHSA-N 0 0 539.440 7.079 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000097968588 553933536 /nfs/dbraw/zinc/93/35/36/553933536.db2.gz GDVOFFLZJXVMDB-NKPIAXQISA-N 0 0 580.062 5.464 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097968610 553933717 /nfs/dbraw/zinc/93/37/17/553933717.db2.gz HKJRVVTUXLVZJG-ZISNPVPXSA-N 0 0 546.806 7.844 50 30 KKEARN COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(-c2ccccc2)c1=O ZINC000097968758 553934324 /nfs/dbraw/zinc/93/43/24/553934324.db2.gz ZICGBHQDYOCADI-BANORVKISA-N 0 0 522.413 5.006 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O ZINC000097968952 553935168 /nfs/dbraw/zinc/93/51/68/553935168.db2.gz GEUIWUIWHYISIT-RWCITBPQSA-N 0 0 580.891 5.505 50 30 KKEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000033355504 553935252 /nfs/dbraw/zinc/93/52/52/553935252.db2.gz QXIQJOJRBUPZFV-UHFFFAOYSA-N 0 0 570.387 5.929 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000033355613 553935731 /nfs/dbraw/zinc/93/57/31/553935731.db2.gz IXJUEIWXJONNRM-QHRGSVBCSA-N 0 0 563.679 7.138 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969166 553937477 /nfs/dbraw/zinc/93/74/77/553937477.db2.gz LVGMFGYIHJAUCX-GKVSMKOHSA-N 0 0 574.655 5.689 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969180 553937537 /nfs/dbraw/zinc/93/75/37/553937537.db2.gz DZOSDCCNZQUXFW-WXTAPIANSA-N 0 0 590.698 6.159 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000097969213 553937794 /nfs/dbraw/zinc/93/77/94/553937794.db2.gz KVPSRJLHQPBXLF-PMERELPUSA-N 0 0 582.623 9.509 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969221 553938373 /nfs/dbraw/zinc/93/83/73/553938373.db2.gz QXRKLODPIHWLMY-OQRWROFFSA-N 0 0 591.085 6.853 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969316 553939749 /nfs/dbraw/zinc/93/97/49/553939749.db2.gz YUAOKSKFRFCXMM-RBSBEOHCSA-N 0 0 600.693 6.599 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@@H]3Sc4ccccc4N=C4c5ccccc5C(=O)C43)cc2)cc1 ZINC000033356355 553940947 /nfs/dbraw/zinc/94/09/47/553940947.db2.gz FEGYJKOGJSLQIM-PMERELPUSA-N 0 0 554.649 6.279 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969603 553942925 /nfs/dbraw/zinc/94/29/25/553942925.db2.gz OBKNOLUIEOMLTL-UZTOHYMASA-N 0 0 602.709 6.326 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969606 553942965 /nfs/dbraw/zinc/94/29/65/553942965.db2.gz OBKNOLUIEOMLTL-WINIVTDRSA-N 0 0 602.709 6.326 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969654 553943472 /nfs/dbraw/zinc/94/34/72/553943472.db2.gz PFNATTCVDSWBML-WENCNXQZSA-N 0 0 596.705 6.983 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969787 553945090 /nfs/dbraw/zinc/94/50/90/553945090.db2.gz QBRQTJXJXWANIU-NHOCJEJCSA-N 0 0 646.765 7.997 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969822 553945532 /nfs/dbraw/zinc/94/55/32/553945532.db2.gz CTEFDNGIPHSPPD-LBEKAKSKSA-N 0 0 600.693 6.599 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969852 553945847 /nfs/dbraw/zinc/94/58/47/553945847.db2.gz PZDCVIWSIFGELU-HZAQMHFWSA-N 0 0 614.720 6.989 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969956 553947232 /nfs/dbraw/zinc/94/72/32/553947232.db2.gz YGJCBRPRXSFJQS-NDEPHWFRSA-N 0 0 570.667 6.584 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969946 553947279 /nfs/dbraw/zinc/94/72/79/553947279.db2.gz GYCCKGAWHAJPDB-AKJBCIBTSA-N 0 0 570.623 5.588 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969986 553947695 /nfs/dbraw/zinc/94/76/95/553947695.db2.gz QYCCUQNGZKWEFR-KTBRYMIGSA-N 0 0 642.774 7.769 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969989 553947719 /nfs/dbraw/zinc/94/77/19/553947719.db2.gz WKRXHEUEUFIBGL-HZAQMHFWSA-N 0 0 614.720 6.845 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969990 553947783 /nfs/dbraw/zinc/94/77/83/553947783.db2.gz WKRXHEUEUFIBGL-WWOZWPLTSA-N 0 0 614.720 6.845 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969963 553947802 /nfs/dbraw/zinc/94/78/02/553947802.db2.gz XYXOGNMJLCCZBV-WRHNGFHOSA-N 0 0 580.662 6.339 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000097970013 553948150 /nfs/dbraw/zinc/94/81/50/553948150.db2.gz BYDHMMQIFBWTPU-URAOTHONSA-N 0 0 582.722 7.444 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970038 553948413 /nfs/dbraw/zinc/94/84/13/553948413.db2.gz WMQTYBYLZGXGMK-AKJBCIBTSA-N 0 0 574.655 5.724 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970025 553948441 /nfs/dbraw/zinc/94/84/41/553948441.db2.gz HDDYFAXHNWBCIC-IVCQMTBJSA-N 0 0 575.484 6.782 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970051 553948528 /nfs/dbraw/zinc/94/85/28/553948528.db2.gz MIZNNHGNNNFTBP-KEEVHDRGSA-N 0 0 598.721 7.370 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970107 553949494 /nfs/dbraw/zinc/94/94/94/553949494.db2.gz BWIBUNQXSIOJBN-MUUNZHRXSA-N 0 0 586.666 6.428 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970143 553949982 /nfs/dbraw/zinc/94/99/82/553949982.db2.gz IHLFPWCEMTYDJB-WRHNGFHOSA-N 0 0 570.667 6.427 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970158 553950501 /nfs/dbraw/zinc/95/05/01/553950501.db2.gz IMYGHNOCBHLWCD-AKJBCIBTSA-N 0 0 576.671 5.948 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000033357734 553950672 /nfs/dbraw/zinc/95/06/72/553950672.db2.gz RMPFRCRCXFLKPF-DFXYEROKSA-N 0 0 588.060 6.574 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970234 553951279 /nfs/dbraw/zinc/95/12/79/553951279.db2.gz DONRJXXMKFYYOL-ROTAYESASA-N 0 0 633.795 8.213 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970259 553951661 /nfs/dbraw/zinc/95/16/61/553951661.db2.gz SCCQWLJYDLEKDJ-JCOAXYOVSA-N 0 0 588.685 7.290 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970261 553951687 /nfs/dbraw/zinc/95/16/87/553951687.db2.gz SCCQWLJYDLEKDJ-ROTAYESASA-N 0 0 588.685 7.290 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970262 553951700 /nfs/dbraw/zinc/95/17/00/553951700.db2.gz SCCQWLJYDLEKDJ-UKPGIYTDSA-N 0 0 588.685 7.290 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970332 553952387 /nfs/dbraw/zinc/95/23/87/553952387.db2.gz NNGGFUBNPWOUDQ-JRPXNJEYSA-N 0 0 582.722 7.588 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970386 553953299 /nfs/dbraw/zinc/95/32/99/553953299.db2.gz KFECRSFUEKRBRF-XGCWNURASA-N 0 0 556.640 6.037 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970385 553953406 /nfs/dbraw/zinc/95/34/06/553953406.db2.gz KFECRSFUEKRBRF-SOKVYYICSA-N 0 0 556.640 6.037 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097970400 553953625 /nfs/dbraw/zinc/95/36/25/553953625.db2.gz DFQRKEUPRRUXJU-APYJYERMSA-N 0 0 576.649 6.161 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970466 553954604 /nfs/dbraw/zinc/95/46/04/553954604.db2.gz NKQAKJWBUKCAST-YMGMXPECSA-N 0 0 603.096 7.020 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000033358352 553954797 /nfs/dbraw/zinc/95/47/97/553954797.db2.gz RFXJAJMYMNVHHM-BWUCGBNQSA-N 0 0 649.938 6.165 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970500 553955104 /nfs/dbraw/zinc/95/51/04/553955104.db2.gz GLMUQGRYQABKGF-CRICUBBOSA-N 0 0 576.671 5.769 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000097970531 553955637 /nfs/dbraw/zinc/95/56/37/553955637.db2.gz AUVFAPRQAWUISR-WJOKGBTCSA-N 0 0 578.750 8.663 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970543 553955639 /nfs/dbraw/zinc/95/56/39/553955639.db2.gz BATUKNKMXGSKIR-MMTVBGGISA-N 0 0 597.762 7.369 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970580 553955931 /nfs/dbraw/zinc/95/59/31/553955931.db2.gz QULRYCOPLJCSQP-QTEAWJPNSA-N 0 0 612.704 6.765 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970567 553956014 /nfs/dbraw/zinc/95/60/14/553956014.db2.gz FSZLIGBAXAQBIQ-SLQAJWMNSA-N 0 0 584.694 6.899 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970612 553956232 /nfs/dbraw/zinc/95/62/32/553956232.db2.gz FEMQRVTYPGSWBZ-ROTAYESASA-N 0 0 588.685 7.812 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000097970596 553956356 /nfs/dbraw/zinc/95/63/56/553956356.db2.gz IQPBXCAOUUQFPI-VPUKRXIYSA-N 0 0 567.281 8.098 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc4c(c3)OCO4)c2C#N)cc(OC)c1OC ZINC000033358630 553957051 /nfs/dbraw/zinc/95/70/51/553957051.db2.gz APDSPNAJNXIWGM-UHFFFAOYSA-N 0 0 555.612 5.773 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nc4ccccc4s3)c2C#N)cc(OC)c1OC ZINC000033358631 553957107 /nfs/dbraw/zinc/95/71/07/553957107.db2.gz ZIIDPEAYJVJAAJ-UHFFFAOYSA-N 0 0 568.680 6.654 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)c(OC)c1 ZINC000097970963 553959744 /nfs/dbraw/zinc/95/97/44/553959744.db2.gz ZTJNHBCMYAKPGX-QYJJAPCQSA-N 0 0 567.379 5.491 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097971022 553960547 /nfs/dbraw/zinc/96/05/47/553960547.db2.gz QCJYYMFPYGRORH-ICACTRECSA-N 0 0 576.649 6.161 50 30 KKEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1c3c(nc4ccccc41)/C(=C\c1ccco1)CC3)CCCCC2 ZINC000033530030 553961789 /nfs/dbraw/zinc/96/17/89/553961789.db2.gz RITFLVXTHNBMCD-SDXDJHTJSA-N 0 0 523.614 6.312 50 30 KKEARN O=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)O/C(=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000097971821 553963074 /nfs/dbraw/zinc/96/30/74/553963074.db2.gz OTYOJSOJMPKSTA-ONNFQVAWSA-N 0 0 531.547 7.489 50 30 KKEARN Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c(F)c(F)c23)c(F)c1F ZINC000097972989 553967740 /nfs/dbraw/zinc/96/77/40/553967740.db2.gz ZOFLRJCGXJXQHI-UHFFFAOYSA-N 0 0 568.210 8.399 50 30 KKEARN C=CCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000033784015 553973489 /nfs/dbraw/zinc/97/34/89/553973489.db2.gz SCXFIQMRCBYWNH-PDGQHHTCSA-N 0 0 507.349 5.101 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097977049 553973611 /nfs/dbraw/zinc/97/36/11/553973611.db2.gz NUOVGQMIHMFYQI-KRWDZBQOSA-N 0 0 531.775 6.689 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000033930630 553977081 /nfs/dbraw/zinc/97/70/81/553977081.db2.gz IEPHVMGAFSULLF-AZVSZNIFSA-N 0 0 535.637 5.424 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000033930625 553977091 /nfs/dbraw/zinc/97/70/91/553977091.db2.gz ORBZVUZXLMPVFM-NYNMPNIZSA-N 0 0 535.637 5.424 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)O[C@@H](C)CC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000033930609 553977115 /nfs/dbraw/zinc/97/71/15/553977115.db2.gz UTYBJLHSLRKEDE-CFKWVFSZSA-N 0 0 519.638 5.806 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000033930700 553977395 /nfs/dbraw/zinc/97/73/95/553977395.db2.gz XDGRXALBRZJGSD-PGXOYOEPSA-N 0 0 510.030 6.061 50 30 KKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCCCC4)c(C)c1 ZINC000097979338 553978467 /nfs/dbraw/zinc/97/84/67/553978467.db2.gz BAABYNXBBKSRIJ-UHFFFAOYSA-N 0 0 663.891 6.315 50 30 KKEARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979759 553982015 /nfs/dbraw/zinc/98/20/15/553982015.db2.gz DUGAVNQQVMTHDT-UHFFFAOYSA-N 0 0 634.187 6.051 50 30 KKEARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979848 553983035 /nfs/dbraw/zinc/98/30/35/553983035.db2.gz GNWXHUPQLRNVIC-UHFFFAOYSA-N 0 0 630.579 5.674 50 30 KKEARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)C/C2=C\c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000097979885 553983276 /nfs/dbraw/zinc/98/32/76/553983276.db2.gz YQKOIRKFCOKMIQ-RJTXAHHWSA-N 0 0 584.160 7.925 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000034702263 553993075 /nfs/dbraw/zinc/99/30/75/553993075.db2.gz RSWRIVYNCPKDBZ-UHFFFAOYSA-N 0 0 505.442 6.360 50 30 KKEARN O=C1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CN(Cc2ccccc2)C/C1=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000097981393 553993500 /nfs/dbraw/zinc/99/35/00/553993500.db2.gz RUSZGEIGALJIOH-JYYJLMHASA-N 0 0 699.898 12.178 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)c3)cc2)CC1 ZINC000097981630 553995971 /nfs/dbraw/zinc/99/59/71/553995971.db2.gz OLVMGAVYBLIHSN-KGMKFKQSSA-N 0 0 660.858 6.320 50 30 KKEARN COc1cc([C@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000097982696 554004737 /nfs/dbraw/zinc/00/47/37/554004737.db2.gz FNJYOAYRRWUNES-PMERELPUSA-N 0 0 588.535 8.276 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097983021 554006907 /nfs/dbraw/zinc/00/69/07/554006907.db2.gz RLECKIJDKLTKKW-SANMLTNESA-N 0 0 579.122 9.355 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097983032 554007253 /nfs/dbraw/zinc/00/72/53/554007253.db2.gz YHTBPLXFGAIPIH-SANMLTNESA-N 0 0 595.121 9.056 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000097983061 554007355 /nfs/dbraw/zinc/00/73/55/554007355.db2.gz COHPGUJLXBCVRN-VWLOTQADSA-N 0 0 540.447 9.826 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097983069 554007395 /nfs/dbraw/zinc/00/73/95/554007395.db2.gz IXBKKIXFHMVAOI-SANMLTNESA-N 0 0 536.028 9.181 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097983070 554007422 /nfs/dbraw/zinc/00/74/22/554007422.db2.gz IXBKKIXFHMVAOI-AREMUKBSSA-N 0 0 536.028 9.181 50 30 KKEARN CC1(C)CC(=O)C(Sc2ccc(Cl)cc2)=C(OC(=O)/C=C/C(=O)OC2=C(Sc3ccc(Cl)cc3)C(=O)CC(C)(C)C2)C1 ZINC000097983241 554008220 /nfs/dbraw/zinc/00/82/20/554008220.db2.gz OKXFNYCQTQIJDQ-BUHFOSPRSA-N 0 0 645.626 8.722 50 30 KKEARN N#Cc1ccc(-c2csc(NP(=O)(/C=C(\Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 ZINC000097983717 554011230 /nfs/dbraw/zinc/01/12/30/554011230.db2.gz CGPSOWDXSNDFBR-KHFFFTKUSA-N 0 0 522.397 8.847 50 30 KKEARN O=C1/C(=C\c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC/C1=C/c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000097983745 554011312 /nfs/dbraw/zinc/01/13/12/554011312.db2.gz WHWPUJSXZFIKQD-RSSRHXQMSA-N 0 0 615.524 8.319 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCCCCCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)sc2C1 ZINC000097983750 554011713 /nfs/dbraw/zinc/01/17/13/554011713.db2.gz KFHRLXXFVIQLLV-WOJBJXKFSA-N 0 0 550.794 7.501 50 30 KKEARN CN(C)c1ccc(C(=NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)c2ccc(N(C)C)cc2)cc1 ZINC000097983969 554013124 /nfs/dbraw/zinc/01/31/24/554013124.db2.gz UQHHDIXADMMAOF-UHFFFAOYSA-N 0 0 549.680 8.678 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000097984765 554018232 /nfs/dbraw/zinc/01/82/32/554018232.db2.gz OKGKOUHLRWBFOG-NWCCKKEMSA-N 0 0 528.859 6.425 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1C(c1ccccc1)c1ccccc1 ZINC000097987846 554027515 /nfs/dbraw/zinc/02/75/15/554027515.db2.gz HILQLYDKNMUIPQ-UHFFFAOYSA-N 0 0 555.704 6.562 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)CCCCCCCCCCC)c1 ZINC000097990135 554028447 /nfs/dbraw/zinc/02/84/47/554028447.db2.gz IMVDLCUHIXXXPD-UHFFFAOYSA-N 0 0 517.755 9.314 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(Oc3cccc(Oc4ccc(/N=C/c5ccc(OCCCCCCCC)cc5)cc4)c3)cc2)cc1 ZINC000097996997 554039269 /nfs/dbraw/zinc/03/92/69/554039269.db2.gz DRRPIXVZORCMFT-RLJCTPROSA-N 0 0 724.986 14.251 50 30 KKEARN CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1/N=C\c1cc(OC)c(OC)c(OC)c1 ZINC000097997080 554039544 /nfs/dbraw/zinc/03/95/44/554039544.db2.gz ZITIMMJZBFALIZ-YBKKDVTGSA-N 0 0 541.442 5.468 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccc(OC)c(OC)c4OC)C(=O)O3)cc2)cc1 ZINC000097998394 554041159 /nfs/dbraw/zinc/04/11/59/554041159.db2.gz GPYJWUOTCWSXOZ-SLMZUGIISA-N 0 0 527.661 7.627 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000097998521 554041743 /nfs/dbraw/zinc/04/17/43/554041743.db2.gz YCSLJNFKTYRYQL-UHFFFAOYSA-N 0 0 503.735 7.708 50 30 KKEARN CCCCCCCCOC(=O)c1c(N)n(-c2ccc(C(=O)OCCC)cc2)c2nc3ccccc3nc21 ZINC000097998500 554041791 /nfs/dbraw/zinc/04/17/91/554041791.db2.gz ORNIZCRHYUIQCN-UHFFFAOYSA-N 0 0 502.615 6.240 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000097999544 554043726 /nfs/dbraw/zinc/04/37/26/554043726.db2.gz IDPKDGBAJUXDRI-UHFFFAOYSA-N 0 0 616.916 10.239 50 30 KKEARN COc1ccc(/C=N/N2C(=O)[C@H]3Cc4c([nH]c5ccccc54)CN3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000035361891 554044658 /nfs/dbraw/zinc/04/46/58/554044658.db2.gz UBFUERLDUUKILE-VYFDOHQRSA-N 0 0 515.411 5.241 50 30 biogenic KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000097999652 554044982 /nfs/dbraw/zinc/04/49/82/554044982.db2.gz WOGUDUCWUZWKQH-IANOAQMISA-N 0 0 593.079 7.350 50 30 KKEARN CCCCCCCCNc1ccc2nc(-c3ccc(-c4ccc(CCCCCCCC)cc4)cc3)nc3c2c1C(=O)c1ccccc1-3 ZINC000098000147 554048748 /nfs/dbraw/zinc/04/87/48/554048748.db2.gz PHVKQYFRFHTMEZ-UHFFFAOYSA-N 0 0 623.885 11.851 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5cccc6ccccc65)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098000283 554049873 /nfs/dbraw/zinc/04/98/73/554049873.db2.gz OXSPPTPQXCQUPB-MUUNZHRXSA-N 0 0 562.626 6.041 50 30 KKEARN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000098000318 554050173 /nfs/dbraw/zinc/05/01/73/554050173.db2.gz ZONZGPCOAPCOMI-XBBWARJSSA-N 0 0 563.868 8.454 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000098000439 554051250 /nfs/dbraw/zinc/05/12/50/554051250.db2.gz BRSSBCOAXACMIP-PMERELPUSA-N 0 0 686.271 10.560 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000098001149 554051544 /nfs/dbraw/zinc/05/15/44/554051544.db2.gz DTZLMLORPZAYTR-MWGIVGCISA-N 0 0 528.483 7.306 50 30 KKEARN N#C[C@@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccccc2)[C@H]2C=Cc3cc(I)ccc3N21 ZINC000098001169 554051579 /nfs/dbraw/zinc/05/15/79/554051579.db2.gz WMKOBBDOOLIQTJ-HIQYAUPDSA-N 0 0 527.365 5.575 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)c(I)c1 ZINC000098001177 554051603 /nfs/dbraw/zinc/05/16/03/554051603.db2.gz BZJFOANMULJHSE-UHFFFAOYSA-N 0 0 601.922 7.646 50 30 KKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001197 554051886 /nfs/dbraw/zinc/05/18/86/554051886.db2.gz GTTITKHSRXWWBD-QGZVFWFLSA-N 0 0 560.404 6.751 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(C(C)=O)cc4)sc3c2)cc1 ZINC000098002594 554053740 /nfs/dbraw/zinc/05/37/40/554053740.db2.gz GLJZSTXSEBJYBY-UHFFFAOYSA-N 0 0 617.837 9.002 50 30 KKEARN CCCCCCCN=C(Nc1ccc(OC)cc1)S[C@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000098003554 554055152 /nfs/dbraw/zinc/05/51/52/554055152.db2.gz SVDFXGYCKITSEW-QFIPXVFZSA-N 0 0 554.059 6.667 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000098003656 554055647 /nfs/dbraw/zinc/05/56/47/554055647.db2.gz BMXZJXFLGGNFJG-HFOCTHEHSA-N 0 0 689.639 10.186 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000098003653 554055678 /nfs/dbraw/zinc/05/56/78/554055678.db2.gz DIGWGDPLQSYITM-MJVKXCJRSA-N 0 0 627.568 8.892 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2ccccc2Cl)cc1 ZINC000098003644 554055824 /nfs/dbraw/zinc/05/58/24/554055824.db2.gz XAVGEGVDXFOCSG-GMWXTNTRSA-N 0 0 625.121 7.589 50 30 KKEARN N#Cc1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nsc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000098003700 554056018 /nfs/dbraw/zinc/05/60/18/554056018.db2.gz HTKWDLQJJOSFPU-UHFFFAOYSA-N 0 0 721.763 10.165 50 30 KKEARN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(Oc3nccc(Nc4ccc(OC)cc4)c3C#N)cc21 ZINC000098006293 554061175 /nfs/dbraw/zinc/06/11/75/554061175.db2.gz HKHDMFWFELQCEI-UHFFFAOYSA-N 0 0 548.599 6.935 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nsc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000098007939 554064799 /nfs/dbraw/zinc/06/47/99/554064799.db2.gz ALJGCCMCAJSQKZ-UHFFFAOYSA-N 0 0 608.567 6.274 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008042 554065702 /nfs/dbraw/zinc/06/57/02/554065702.db2.gz QJAFTRLYXVEQFF-OSOCVKALSA-N 0 0 537.584 5.745 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000098009733 554070759 /nfs/dbraw/zinc/07/07/59/554070759.db2.gz AZGNEZBTXZIWJL-UHFFFAOYSA-N 0 0 615.205 8.362 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000035770663 554072765 /nfs/dbraw/zinc/07/27/65/554072765.db2.gz LOKUFDIQGUGACH-WJOKGBTCSA-N 0 0 514.735 6.982 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(CCCC)cc1 ZINC000035770827 554073139 /nfs/dbraw/zinc/07/31/39/554073139.db2.gz DGZYGJGSGWOFJX-HKBQPEDESA-N 0 0 528.762 7.191 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)c1ccc(Cl)cc1 ZINC000035798122 554075238 /nfs/dbraw/zinc/07/52/38/554075238.db2.gz XXHBLJPQVVCFIT-UHFFFAOYSA-N 0 0 527.086 5.627 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000098016738 554103441 /nfs/dbraw/zinc/10/34/41/554103441.db2.gz OGZCHHMWLYIMNU-UHFFFAOYSA-N 0 0 526.656 7.006 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccco1 ZINC000098016907 554104755 /nfs/dbraw/zinc/10/47/55/554104755.db2.gz UQPKRIDWCDCCCL-UHFFFAOYSA-N 0 0 572.725 8.160 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000098017131 554106305 /nfs/dbraw/zinc/10/63/05/554106305.db2.gz LBKZGSYQLKCOKU-PMERELPUSA-N 0 0 564.817 6.694 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1)C(C)C ZINC000098017405 554107998 /nfs/dbraw/zinc/10/79/98/554107998.db2.gz IRSRNNHVAUIZKI-UHFFFAOYSA-N 0 0 547.759 7.582 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000098017762 554110292 /nfs/dbraw/zinc/11/02/92/554110292.db2.gz VEJQNBZFLDNENX-DEOSSOPVSA-N 0 0 555.936 6.059 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000098018005 554111653 /nfs/dbraw/zinc/11/16/53/554111653.db2.gz MDTQDQZQJZQHFQ-UHFFFAOYSA-N 0 0 553.788 5.933 50 30 KKEARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000098019443 554112482 /nfs/dbraw/zinc/11/24/82/554112482.db2.gz MXOOSLTYFZSQMB-UHFFFAOYSA-N 0 0 534.682 5.459 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1ccccc1Br ZINC000098019898 554115345 /nfs/dbraw/zinc/11/53/45/554115345.db2.gz GHAUFXYUBRGNQG-UHFFFAOYSA-N 0 0 574.475 6.113 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000098019988 554115981 /nfs/dbraw/zinc/11/59/81/554115981.db2.gz MHQSRZZGCFOHPX-UHFFFAOYSA-N 0 0 604.015 5.249 50 30 KKEARN CCCCCCCCCC(=O)N(CCC(C)C)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000098020009 554116140 /nfs/dbraw/zinc/11/61/40/554116140.db2.gz UJIWTGISMFSKQQ-UHFFFAOYSA-N 0 0 564.742 7.476 50 30 KKEARN CC(C)(C)c1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098042702 554121398 /nfs/dbraw/zinc/12/13/98/554121398.db2.gz CMFKIEJWHRJNTF-HHHXNRCGSA-N 0 0 550.980 6.498 50 30 KKEARN O=C(C=C1OC(=CC(=O)c2ccc(Cl)cc2)OC(=CC(=O)c2ccc(Cl)cc2)O1)c1ccc(Cl)cc1 ZINC000098043791 554128563 /nfs/dbraw/zinc/12/85/63/554128563.db2.gz AIUJJVWWJSTQBX-UHFFFAOYSA-N 0 0 541.770 7.183 50 30 KKEARN O=C(CN1C(C(=O)c2ccccc2)=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000098044788 554129785 /nfs/dbraw/zinc/12/97/85/554129785.db2.gz DGPYBCRPIGCLNH-UHFFFAOYSA-N 0 0 539.569 5.146 50 30 KKEARN CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1 ZINC000098044969 554129998 /nfs/dbraw/zinc/12/99/98/554129998.db2.gz GJVFPXBDZTWODC-QFIPXVFZSA-N 0 0 622.622 8.335 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OCC)c(OC)c1 ZINC000098044972 554130095 /nfs/dbraw/zinc/13/00/95/554130095.db2.gz IJCTXLJYNYLNST-UHFFFAOYSA-N 0 0 532.662 6.124 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000098045012 554130285 /nfs/dbraw/zinc/13/02/85/554130285.db2.gz VCLFCRQKXIGSCR-UZTOHYMASA-N 0 0 539.985 6.869 50 30 KKEARN O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000098045059 554130286 /nfs/dbraw/zinc/13/02/86/554130286.db2.gz LQWJUMCIPQNTBI-INIZCTEOSA-N 0 0 513.207 5.221 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000098045627 554132949 /nfs/dbraw/zinc/13/29/49/554132949.db2.gz RGTMYMRKOIYSKR-UHFFFAOYSA-N 0 0 541.574 10.026 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046453 554138893 /nfs/dbraw/zinc/13/88/93/554138893.db2.gz HXMPTFVDWYGAFX-NDEPHWFRSA-N 0 0 599.778 7.916 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046611 554141579 /nfs/dbraw/zinc/14/15/79/554141579.db2.gz PSQARSYRQYYXFZ-VWLOTQADSA-N 0 0 561.059 6.801 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046622 554141607 /nfs/dbraw/zinc/14/16/07/554141607.db2.gz LXJRWIGZIRQUKE-MUUNZHRXSA-N 0 0 570.667 6.728 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098046669 554142444 /nfs/dbraw/zinc/14/24/44/554142444.db2.gz NRZQRSVEKZQKDM-HHHXNRCGSA-N 0 0 582.678 6.607 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C(=O)c1cccc(Cl)c1 ZINC000036030579 554143328 /nfs/dbraw/zinc/14/33/28/554143328.db2.gz BAOWELFUQCVAAP-UHFFFAOYSA-N 0 0 512.075 5.844 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1cccc(Cl)c1 ZINC000036030643 554143566 /nfs/dbraw/zinc/14/35/66/554143566.db2.gz OWMHUFBQIVUBTA-UHFFFAOYSA-N 0 0 526.102 6.152 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098046909 554145088 /nfs/dbraw/zinc/14/50/88/554145088.db2.gz OBJPNCARSURACS-UHFFFAOYSA-N 0 0 557.638 7.502 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=S)Nc1ccc(F)cc1 ZINC000036032022 554145457 /nfs/dbraw/zinc/14/54/57/554145457.db2.gz QKNVSNAMGVMIQI-UHFFFAOYSA-N 0 0 500.665 5.037 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000098046977 554145745 /nfs/dbraw/zinc/14/57/45/554145745.db2.gz LZUUOBULGSNDLQ-JOCHJYFZSA-N 0 0 512.499 6.172 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1C ZINC000098047085 554146320 /nfs/dbraw/zinc/14/63/20/554146320.db2.gz PDMYIBVVDATPRH-UHFFFAOYSA-N 0 0 567.686 6.330 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1cccc(Cl)c1 ZINC000036039687 554147373 /nfs/dbraw/zinc/14/73/73/554147373.db2.gz HHKGOSRLMIRVQE-UHFFFAOYSA-N 0 0 500.064 5.303 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccc(F)cc1 ZINC000036040461 554149282 /nfs/dbraw/zinc/14/92/82/554149282.db2.gz XFVUCIRZHZYNPM-UHFFFAOYSA-N 0 0 521.536 5.178 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCc1ccccc1Cl ZINC000098047444 554150930 /nfs/dbraw/zinc/15/09/30/554150930.db2.gz GOTKNPQVJWOPKV-UHFFFAOYSA-N 0 0 528.958 8.303 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098047671 554154437 /nfs/dbraw/zinc/15/44/37/554154437.db2.gz XPTKQHHOQUBYJE-DEOSSOPVSA-N 0 0 546.645 5.983 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000098047672 554154555 /nfs/dbraw/zinc/15/45/55/554154555.db2.gz ABBXRMXVJXUQHN-XMMPIXPASA-N 0 0 562.644 5.683 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1cccc(OC)c1 ZINC000036049696 554156033 /nfs/dbraw/zinc/15/60/33/554156033.db2.gz KPHABLSDKXNCAL-UHFFFAOYSA-N 0 0 518.976 5.607 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047794 554156236 /nfs/dbraw/zinc/15/62/36/554156236.db2.gz NIPXSFKTGHYOHZ-PMERELPUSA-N 0 0 637.783 7.907 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048032 554158790 /nfs/dbraw/zinc/15/87/90/554158790.db2.gz LDIYODTUFLGRMW-SXBQZSJRSA-N 0 0 546.576 5.646 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048045 554158866 /nfs/dbraw/zinc/15/88/66/554158866.db2.gz OZNGOBIQYISKGV-KWMCUTETSA-N 0 0 572.658 7.111 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048044 554158942 /nfs/dbraw/zinc/15/89/42/554158942.db2.gz OZNGOBIQYISKGV-JMQGSBJISA-N 0 0 572.658 7.111 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1cccs1 ZINC000036058166 554160059 /nfs/dbraw/zinc/16/00/59/554160059.db2.gz HOQPATGDUGUPFV-UHFFFAOYSA-N 0 0 511.434 6.175 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048179 554160245 /nfs/dbraw/zinc/16/02/45/554160245.db2.gz WVSXOSJTLOYNNM-MRDQGFSESA-N 0 0 563.676 5.776 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccccc2C(F)(F)F)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000098048496 554161781 /nfs/dbraw/zinc/16/17/81/554161781.db2.gz SPQUMDWJVFVIPY-UHFFFAOYSA-N 0 0 666.725 8.818 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050111 554172047 /nfs/dbraw/zinc/17/20/47/554172047.db2.gz KMLZQBLESGYYQZ-HHHXNRCGSA-N 0 0 553.571 5.305 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000098050337 554174096 /nfs/dbraw/zinc/17/40/96/554174096.db2.gz JFNAWINUBDSSKT-DEOSSOPVSA-N 0 0 546.645 6.018 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CCCCCCC)cc3)nc3ccc(C)cc32)cc1 ZINC000098050380 554174412 /nfs/dbraw/zinc/17/44/12/554174412.db2.gz IFBSUMDIPOYEJI-UHFFFAOYSA-N 0 0 577.809 10.276 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(CC)cc3)c3cc(C)ccc3n2)cc1 ZINC000098050378 554174436 /nfs/dbraw/zinc/17/44/36/554174436.db2.gz FUWYHICZFVWEAA-UHFFFAOYSA-N 0 0 507.674 8.325 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000098050473 554174937 /nfs/dbraw/zinc/17/49/37/554174937.db2.gz KZBSIQYRHUYJBS-XMYZDWSOSA-N 0 0 642.634 8.668 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000036116033 554180417 /nfs/dbraw/zinc/18/04/17/554180417.db2.gz PCGDVJSRTSTURJ-XMMPIXPASA-N 0 0 511.043 5.243 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1 ZINC000100014425 554181295 /nfs/dbraw/zinc/18/12/95/554181295.db2.gz SAMRUMKYXPVKPA-IECRIWKTSA-N 0 0 565.796 5.615 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccc(OC)cc1 ZINC000036116368 554181534 /nfs/dbraw/zinc/18/15/34/554181534.db2.gz FKNVQQZZIYTMOD-RUZDIDTESA-N 0 0 525.070 5.552 50 30 KKEARN c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCOC[C@H]2CO2)cc1)c1ccc(OCCOC[C@H]2CO2)cc1 ZINC000100022397 554182172 /nfs/dbraw/zinc/18/21/72/554182172.db2.gz QWPTZLOWXIETLI-KYJUHHDHSA-N 0 0 550.651 5.638 50 30 KKEARN CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000100025537 554183668 /nfs/dbraw/zinc/18/36/68/554183668.db2.gz PIZDIZMDWUJDBN-UHFFFAOYSA-N 0 0 605.347 7.325 50 30 KKEARN COc1ccc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000100028295 554184142 /nfs/dbraw/zinc/18/41/42/554184142.db2.gz RCQKSQTXRZCAPU-AFUMVMLFSA-N 0 0 535.362 5.484 50 30 KKEARN Fc1ccc(-c2ccc(/C=N/c3ccc(Cc4ccc(/N=C/c5ccc(-c6ccc(F)cc6)o5)cc4)cc3)o2)cc1 ZINC000100036064 554190349 /nfs/dbraw/zinc/19/03/49/554190349.db2.gz DUDRWFVZPMWHQE-FXBANDFYSA-N 0 0 542.585 9.577 50 30 KKEARN CCc1ccc2oc(-c3cc(/N=C\c4cc(Br)cc(Br)c4[O-])ccc3[O-])nc2c1 ZINC000100042594 554192691 /nfs/dbraw/zinc/19/26/91/554192691.db2.gz WEXUENQDAWWVFW-GATIEOLUSA-N 0 0 516.189 6.744 50 30 KKEARN CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F ZINC000100045737 554193502 /nfs/dbraw/zinc/19/35/02/554193502.db2.gz AKSQGOCADLNWLZ-UHFFFAOYSA-N 0 0 558.131 6.126 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)Nc1ccc(C)cc1 ZINC000036122299 554193589 /nfs/dbraw/zinc/19/35/89/554193589.db2.gz UZOHCRUAAMQXGX-HHHXNRCGSA-N 0 0 517.695 6.405 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000100052796 554195103 /nfs/dbraw/zinc/19/51/03/554195103.db2.gz PGPUJUYHRXGRHJ-HZAQMHFWSA-N 0 0 540.019 7.548 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000100052801 554195167 /nfs/dbraw/zinc/19/51/67/554195167.db2.gz PGPUJUYHRXGRHJ-QTEAWJPNSA-N 0 0 540.019 7.548 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000100052793 554195170 /nfs/dbraw/zinc/19/51/70/554195170.db2.gz PGPUJUYHRXGRHJ-ADSBAMQRSA-N 0 0 540.019 7.548 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000036123844 554195363 /nfs/dbraw/zinc/19/53/63/554195363.db2.gz AMBYOPOCLPARDJ-QHCPKHFHSA-N 0 0 514.022 5.766 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000100054592 554195629 /nfs/dbraw/zinc/19/56/29/554195629.db2.gz MAPBFFXMJXGEKL-BWAHOGKJSA-N 0 0 552.515 7.041 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OC(=O)c4ccc(OC)cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 ZINC000100055009 554195868 /nfs/dbraw/zinc/19/58/68/554195868.db2.gz WZOGWDYHFBLUAU-LTTYKRRRSA-N 0 0 598.524 5.412 50 30 KKEARN Cc1c(Cl)cccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100056760 554196775 /nfs/dbraw/zinc/19/67/75/554196775.db2.gz RGHLGWFSAQHTCE-SPPUDYPESA-N 0 0 547.998 6.510 50 30 KKEARN Cc1c(Cl)cccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100056756 554196786 /nfs/dbraw/zinc/19/67/86/554196786.db2.gz RGHLGWFSAQHTCE-NXGUDREKSA-N 0 0 547.998 6.510 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3s2)cc1OC ZINC000100057866 554197073 /nfs/dbraw/zinc/19/70/73/554197073.db2.gz GNGVJGWNIYRITM-VTNSRFBWSA-N 0 0 557.697 6.374 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3s2)cc1OC ZINC000100057556 554197108 /nfs/dbraw/zinc/19/71/08/554197108.db2.gz PMUCOZSXLIQPOD-IPPBACCNSA-N 0 0 586.533 5.983 50 30 KKEARN COc1c(I)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1I ZINC000100058656 554197312 /nfs/dbraw/zinc/19/73/12/554197312.db2.gz GNADMKARWVHKMT-ZVBGSRNCSA-N 0 0 548.187 5.467 50 30 KKEARN Cc1cc(C)cc(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1 ZINC000100058221 554197336 /nfs/dbraw/zinc/19/73/36/554197336.db2.gz KGDKDELAEQSGNA-UHFFFAOYSA-N 0 0 605.347 7.379 50 30 KKEARN CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5c6ccccc6cc6ccccc65)cc4s3)cc2s1 ZINC000100062684 554199246 /nfs/dbraw/zinc/19/92/46/554199246.db2.gz BVPAWUKIBQJBNP-ATZGPIRCSA-N 0 0 606.823 9.416 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000100066283 554199841 /nfs/dbraw/zinc/19/98/41/554199841.db2.gz JIUCMOFQPPNNPR-IYMJQMKMSA-N 0 0 519.000 6.302 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100076620 554204482 /nfs/dbraw/zinc/20/44/82/554204482.db2.gz CIZHBHLDOQFAAS-IQGLISFBSA-N 0 0 540.454 5.868 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000100078084 554205526 /nfs/dbraw/zinc/20/55/26/554205526.db2.gz QAITUAFBLRIOCC-XRHLQHRESA-N 0 0 568.464 5.747 50 30 KKEARN Clc1ccc(Cl)c(CSc2nc3ccc(/N=C/c4ccc(I)cc4)cc3s2)c1 ZINC000100078769 554205532 /nfs/dbraw/zinc/20/55/32/554205532.db2.gz QNVKJRWOXATCDW-OPEKNORGSA-N 0 0 555.293 8.251 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100079605 554206060 /nfs/dbraw/zinc/20/60/60/554206060.db2.gz RTRRAEQXNATUSI-DJUQAAIZSA-N 0 0 588.498 6.571 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100079939 554206478 /nfs/dbraw/zinc/20/64/78/554206478.db2.gz PJIHGRNVAHJACS-FWUCURJTSA-N 0 0 559.659 5.867 50 30 KKEARN C=CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302524 554212332 /nfs/dbraw/zinc/21/23/32/554212332.db2.gz FYQXAYOJGYBSQP-DEOSSOPVSA-N 0 0 503.599 5.140 50 30 KKEARN Cc1ccc(N2C(=O)C[C@H](SC(=NCCc3ccccc3)Nc3ccc(OC(F)(F)Cl)cc3)C2=O)c(C)c1 ZINC000100092298 554212595 /nfs/dbraw/zinc/21/25/95/554212595.db2.gz VSYDXTCZUVFPLJ-DEOSSOPVSA-N 0 0 558.050 6.547 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000100098911 554219585 /nfs/dbraw/zinc/21/95/85/554219585.db2.gz SCUNBVHHZNQKMM-JGCGQSQUSA-N 0 0 548.683 7.041 50 30 KKEARN COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)c1 ZINC000100105676 554220502 /nfs/dbraw/zinc/22/05/02/554220502.db2.gz VZHBWUDSYIVHGV-QPRQTZNDSA-N 0 0 545.995 6.024 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000100109944 554221186 /nfs/dbraw/zinc/22/11/86/554221186.db2.gz FWIODRQTOLXIMU-VEPGCPFFSA-N 0 0 568.717 8.396 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000100110070 554221190 /nfs/dbraw/zinc/22/11/90/554221190.db2.gz GMYVIMNYUQORLQ-QPRSDEFVSA-N 0 0 601.659 7.226 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000100110079 554221231 /nfs/dbraw/zinc/22/12/31/554221231.db2.gz GMYVIMNYUQORLQ-FIZZJZAHSA-N 0 0 601.659 7.226 50 30 KKEARN CCOc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OCC ZINC000100112534 554222206 /nfs/dbraw/zinc/22/22/06/554222206.db2.gz AROLHOIOZJMNIW-YOXYEXBHSA-N 0 0 570.086 6.480 50 30 KKEARN COc1ccc(C2=C[C@](O)(c3ccc(OC)cc3)[C@@H](C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000036367809 554224066 /nfs/dbraw/zinc/22/40/66/554224066.db2.gz WRBYXBXOFDTHRD-IACXWYQSSA-N 0 0 516.637 7.061 50 30 biogenic KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142332 554228314 /nfs/dbraw/zinc/22/83/14/554228314.db2.gz CNFARUUEYVRVET-YYCIKHPBSA-N 0 0 594.089 5.854 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2)cc1 ZINC000100142414 554228552 /nfs/dbraw/zinc/22/85/52/554228552.db2.gz VWZSNHZLXLKXMM-AZTNMLBSSA-N 0 0 531.634 5.075 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccccc2)cc1 ZINC000100142430 554228588 /nfs/dbraw/zinc/22/85/88/554228588.db2.gz RWEANZPJCXXVEZ-KOHVVVGESA-N 0 0 570.498 6.373 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000100144017 554229732 /nfs/dbraw/zinc/22/97/32/554229732.db2.gz ABXABJVNAUHHBO-TXBHVNISSA-N 0 0 541.595 6.655 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100144563 554230097 /nfs/dbraw/zinc/23/00/97/554230097.db2.gz UFBICEYDXVVFSP-AZTNMLBSSA-N 0 0 547.633 5.041 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151382 554231617 /nfs/dbraw/zinc/23/16/17/554231617.db2.gz RGXNJCRAUUOLNA-RZDMPUFOSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151406 554231775 /nfs/dbraw/zinc/23/17/75/554231775.db2.gz ONAYFLBFDMXOEG-VYCLJVNGSA-N 0 0 572.608 5.492 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100156012 554232879 /nfs/dbraw/zinc/23/28/79/554232879.db2.gz WBNUCMRLEYQNKV-ZKMPZPQNSA-N 0 0 594.561 5.592 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000100155853 554232900 /nfs/dbraw/zinc/23/29/00/554232900.db2.gz DIVFRPOIEQMGFV-DNRSQYFGSA-N 0 0 591.035 5.235 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159336 554234055 /nfs/dbraw/zinc/23/40/55/554234055.db2.gz OVSDUIFOXDCQMD-WVQWTBLQSA-N 0 0 537.678 5.641 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000100160511 554234590 /nfs/dbraw/zinc/23/45/90/554234590.db2.gz SFZAADYGRHRXBF-DNRSQYFGSA-N 0 0 624.587 5.600 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160349 554234602 /nfs/dbraw/zinc/23/46/02/554234602.db2.gz HCBCYLJNWCSAPY-DMTNHVFBSA-N 0 0 591.035 5.235 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccccc2)cc1 ZINC000100161469 554234946 /nfs/dbraw/zinc/23/49/46/554234946.db2.gz FNTVYQMLXZNHKR-LKIAPMPTSA-N 0 0 536.053 5.720 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160694 554234968 /nfs/dbraw/zinc/23/49/68/554234968.db2.gz KDQLWFKNMHCOCZ-FPNNDXFKSA-N 0 0 619.089 6.015 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cccc(Br)c4)C(=O)O3)cc2)cc1 ZINC000100166096 554236794 /nfs/dbraw/zinc/23/67/94/554236794.db2.gz HXBLVYVOCSGHAL-HFTWOUSFSA-N 0 0 516.479 8.364 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cc(Br)cs4)C(=O)O3)cc2)cc1 ZINC000100166102 554236797 /nfs/dbraw/zinc/23/67/97/554236797.db2.gz LHXLHKLKIHRENI-ITYLOYPMSA-N 0 0 522.508 8.425 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100167051 554237123 /nfs/dbraw/zinc/23/71/23/554237123.db2.gz FWPNIMJEROQPPR-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1cccc(O)c1)N1CCOCC1 ZINC000100167187 554237374 /nfs/dbraw/zinc/23/73/74/554237374.db2.gz HCMDPOXZHKCKNA-DQSJHHFOSA-N 0 0 509.757 5.787 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172222 554238784 /nfs/dbraw/zinc/23/87/84/554238784.db2.gz KEELLPFJOYQDOD-IEZKXTBUSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100172943 554239351 /nfs/dbraw/zinc/23/93/51/554239351.db2.gz XCTHBCGREULSSM-RFLWCCGPSA-N 0 0 609.119 6.376 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100173558 554239562 /nfs/dbraw/zinc/23/95/62/554239562.db2.gz FCIUIFVNXFMSJY-NKKJXINNSA-N 0 0 612.535 5.977 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000100173511 554239567 /nfs/dbraw/zinc/23/95/67/554239567.db2.gz MZQITWVNWNYJCH-XRODADMRSA-N 0 0 612.626 5.523 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100173565 554239647 /nfs/dbraw/zinc/23/96/47/554239647.db2.gz FCIUIFVNXFMSJY-FGCOXFRFSA-N 0 0 612.535 5.977 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000100173508 554239656 /nfs/dbraw/zinc/23/96/56/554239656.db2.gz MZQITWVNWNYJCH-ZWSUVBHBSA-N 0 0 612.626 5.523 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000037397776 554240093 /nfs/dbraw/zinc/24/00/93/554240093.db2.gz XMSZKHNEXGDNNS-UHFFFAOYSA-N 0 0 503.559 5.401 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100174547 554240140 /nfs/dbraw/zinc/24/01/40/554240140.db2.gz PETXMXIXQPSQJR-RIEVBORMSA-N 0 0 596.627 5.693 50 30 KKEARN CCCCOc1c(Cl)cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OCCCC)c(OC)c3)C2=O)cc1OC ZINC000100177745 554240942 /nfs/dbraw/zinc/24/09/42/554240942.db2.gz BYPOAFDGMIEFCS-HOFJZWJUSA-N 0 0 547.519 8.588 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100179357 554241498 /nfs/dbraw/zinc/24/14/98/554241498.db2.gz SUPOTKFPUMDACT-CKUXNOBLSA-N 0 0 582.600 5.514 50 30 KKEARN CCCOc1c(Cl)cc(/C=C2/CCC/C(=C/c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000100182850 554242207 /nfs/dbraw/zinc/24/22/07/554242207.db2.gz JDIHBTRLMQLRJQ-VMTNTFKOSA-N 0 0 547.519 8.588 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100185218 554242551 /nfs/dbraw/zinc/24/25/51/554242551.db2.gz IUEZLCVTYUBOCK-ODUZYHDNSA-N 0 0 615.674 6.714 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000100193211 554245518 /nfs/dbraw/zinc/24/55/18/554245518.db2.gz MRBCUBIEUXHIGS-OYKKKHCWSA-N 0 0 523.452 6.545 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100193115 554245527 /nfs/dbraw/zinc/24/55/27/554245527.db2.gz VWEHZJCJJJPRDS-MXAYSNPKSA-N 0 0 527.473 7.480 50 30 KKEARN CCN1c2cc(OC)ccc2S/C1=C1\S/C(=N\c2cc([N+](=O)[O-])ccc2C)N(Cc2ccccc2)C1=O ZINC000100200394 554246778 /nfs/dbraw/zinc/24/67/78/554246778.db2.gz RUHDCOIJTIXULP-GZCDXWOBSA-N 0 0 532.647 6.476 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000100215250 554249778 /nfs/dbraw/zinc/24/97/78/554249778.db2.gz ZNXZYHGPPFBJDB-XMMPIXPASA-N 0 0 580.862 6.432 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100216874 554250669 /nfs/dbraw/zinc/25/06/69/554250669.db2.gz SFHLLDCWQNDGRU-FEEXRDNLSA-N 0 0 556.471 6.331 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100217222 554250962 /nfs/dbraw/zinc/25/09/62/554250962.db2.gz QULZJDPQUSCNMN-IMEPGBNMSA-N 0 0 591.686 5.092 50 30 KKEARN CCCCCCCc1ccc(-c2cn3c4c(nc3n2-c2ccc(Cl)cc2)n(C)c(=O)n(C)c4=O)cc1 ZINC000100225024 554252667 /nfs/dbraw/zinc/25/26/67/554252667.db2.gz LJAFUTVRJNLCNS-UHFFFAOYSA-N 0 0 504.034 5.509 50 30 KKEARN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc(Br)cc1 ZINC000100235046 554258101 /nfs/dbraw/zinc/25/81/01/554258101.db2.gz ZHYXNLWYVFJEIB-OPEKNORGSA-N 0 0 597.207 5.781 50 30 KKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100241705 554260723 /nfs/dbraw/zinc/26/07/23/554260723.db2.gz CKOVNHQXOXCNQX-OBGMXFBLSA-N 0 0 504.380 6.030 50 30 KKEARN N#Cc1c2c(sc1N1c3nc(N)c(C#N)c(N)c3[C@H](c3cccc(Br)c3)C3=C1CCCC3=O)CCCC2 ZINC000100247484 554261278 /nfs/dbraw/zinc/26/12/78/554261278.db2.gz VQOVTCOHXVBZQL-JOCHJYFZSA-N 0 0 571.504 5.983 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CCC)C2=O)cc1OC ZINC000100260162 554265243 /nfs/dbraw/zinc/26/52/43/554265243.db2.gz QFAJARKGNDAVOX-SYUAUQEVSA-N 0 0 564.445 5.887 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000038143154 554265417 /nfs/dbraw/zinc/26/54/17/554265417.db2.gz KTJPWDKOKGANNX-SANMLTNESA-O 0 0 537.743 6.219 50 30 in-vitro KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C4CCCCC4)cc3)c(OC)c2)SC1=S ZINC000100268578 554268138 /nfs/dbraw/zinc/26/81/38/554268138.db2.gz UOCUGLJXJWGQQI-BWAHOGKJSA-N 0 0 544.138 7.241 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000100268653 554268144 /nfs/dbraw/zinc/26/81/44/554268144.db2.gz JVGMEYJHUDDSQO-JWGURIENSA-N 0 0 609.551 6.442 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000038154831 554273576 /nfs/dbraw/zinc/27/35/76/554273576.db2.gz XIZNUTPRUXDUDV-POTDNYQPSA-N 0 0 543.406 5.371 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C#N ZINC000100277650 554275820 /nfs/dbraw/zinc/27/58/20/554275820.db2.gz JNNMCPGWFZOOLB-IPBVOBEMSA-N 0 0 534.241 6.502 50 30 KKEARN CC(C)(C)c1cc(Br)cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1O ZINC000100291188 554284227 /nfs/dbraw/zinc/28/42/27/554284227.db2.gz NUHITCRRDQLGEP-OAQYLSRUSA-N 0 0 519.476 6.311 50 30 KKEARN COc1cc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)ccc1O ZINC000100297676 554289151 /nfs/dbraw/zinc/28/91/51/554289151.db2.gz YLOTVTIMTLLIML-XCBPRYKJSA-N 0 0 553.352 5.188 50 30 KKEARN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)c(Br)c1OC ZINC000100301036 554291124 /nfs/dbraw/zinc/29/11/24/554291124.db2.gz WGTNGLZZIIKVHP-XYOKQWHBSA-N 0 0 569.249 6.633 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2cccc(Cl)c2)cc1OC ZINC000100307578 554296150 /nfs/dbraw/zinc/29/61/50/554296150.db2.gz KBHSKCDMSCTWKD-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC ZINC000043352736 554298369 /nfs/dbraw/zinc/29/83/69/554298369.db2.gz MLKLDGSYMHFAOC-AREMUKBSSA-O 0 0 566.737 6.563 50 30 in-vitro KKEARN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000100311482 554300921 /nfs/dbraw/zinc/30/09/21/554300921.db2.gz GNSQAXAYHLIVSU-LGJNPRDNSA-N 0 0 529.847 6.120 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000100322143 554306436 /nfs/dbraw/zinc/30/64/36/554306436.db2.gz WOLIUWGJOWOLEZ-FYJGNVAPSA-N 0 0 529.843 6.582 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)c(OC)c1 ZINC000100331883 554314053 /nfs/dbraw/zinc/31/40/53/554314053.db2.gz NDRIKWDYFCQXPW-AJQOZTQRSA-N 0 0 567.379 5.491 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049605243 554323991 /nfs/dbraw/zinc/32/39/91/554323991.db2.gz JNCYFBTYCCIXKB-DHRITJCHSA-N 0 0 551.361 5.190 50 30 KKEARN COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000049762486 554325130 /nfs/dbraw/zinc/32/51/30/554325130.db2.gz KYWAOSYDNLSUNS-UHFFFAOYSA-N 0 0 554.514 7.901 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000050860271 554327557 /nfs/dbraw/zinc/32/75/57/554327557.db2.gz KPWATXRUZREARK-IWIPYMOSSA-N 0 0 523.441 5.950 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348037 554330595 /nfs/dbraw/zinc/33/05/95/554330595.db2.gz HWQBOWAIKUHWKC-OJEZVBBGSA-N 0 0 554.068 5.569 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291355 554331435 /nfs/dbraw/zinc/33/14/35/554331435.db2.gz UEYPUZXGCMBSNA-DEOSSOPVSA-N 0 0 543.557 5.375 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000053306012 554333155 /nfs/dbraw/zinc/33/31/55/554333155.db2.gz WKKFGKWBGNWVIW-UMSFTDKQSA-N 0 0 552.715 7.998 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000053306136 554333540 /nfs/dbraw/zinc/33/35/40/554333540.db2.gz GALRISVLVRGGEU-VWLOTQADSA-N 0 0 536.422 5.561 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306336 554333927 /nfs/dbraw/zinc/33/39/27/554333927.db2.gz XRVKIGIYXWDWRI-SANMLTNESA-N 0 0 528.630 6.610 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053306782 554334185 /nfs/dbraw/zinc/33/41/85/554334185.db2.gz WVMKZACDBFACGN-HHHXNRCGSA-N 0 0 556.640 6.256 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053307023 554334711 /nfs/dbraw/zinc/33/47/11/554334711.db2.gz ZWCUKDWTKZHKFP-AREMUKBSSA-N 0 0 558.612 5.566 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319143 554336178 /nfs/dbraw/zinc/33/61/78/554336178.db2.gz WXUREQIPKUCOFT-QHCPKHFHSA-N 0 0 532.574 5.114 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319227 554336788 /nfs/dbraw/zinc/33/67/88/554336788.db2.gz LLTHEJJZKISHMK-JOCHJYFZSA-N 0 0 519.420 6.459 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053319234 554336942 /nfs/dbraw/zinc/33/69/42/554336942.db2.gz BMTLFIBQJUPEDI-CLYVBNDRSA-N 0 0 538.625 6.276 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000053319406 554337905 /nfs/dbraw/zinc/33/79/05/554337905.db2.gz MUOTXTXHMXSLDV-MQNRADLISA-N 0 0 528.586 5.507 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053319473 554338269 /nfs/dbraw/zinc/33/82/69/554338269.db2.gz JCGYBDPBRZBXCE-VWLOTQADSA-N 0 0 528.630 6.394 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000100357850 554338448 /nfs/dbraw/zinc/33/84/48/554338448.db2.gz YQLCJBLXTPLRHT-HFBYFEGMSA-N 0 0 527.568 6.183 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000053332064 554338558 /nfs/dbraw/zinc/33/85/58/554338558.db2.gz QDKWPZAMUKLLLI-GOXGLGGOSA-N 0 0 529.596 7.118 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319533 554338709 /nfs/dbraw/zinc/33/87/09/554338709.db2.gz SPKSJKUFLQCGSW-MUUNZHRXSA-N 0 0 570.667 6.728 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000053333536 554339334 /nfs/dbraw/zinc/33/93/34/554339334.db2.gz VZHSGBIUCMPMSO-AKJBCIBTSA-N 0 0 542.613 5.815 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053332856 554339381 /nfs/dbraw/zinc/33/93/81/554339381.db2.gz FPOLTNCYAIRVQD-SANMLTNESA-N 0 0 558.612 5.484 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053333876 554339756 /nfs/dbraw/zinc/33/97/56/554339756.db2.gz UUQHZQJXSWIVSX-RUZDIDTESA-N 0 0 530.602 5.809 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334132 554340192 /nfs/dbraw/zinc/34/01/92/554340192.db2.gz DCXWAQAXIJPFOJ-AREMUKBSSA-N 0 0 558.612 5.648 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000053335084 554340563 /nfs/dbraw/zinc/34/05/63/554340563.db2.gz YGTDKUJUBKRPCM-HKBQPEDESA-N 0 0 563.606 5.824 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000053336014 554341493 /nfs/dbraw/zinc/34/14/93/554341493.db2.gz BATUKNKMXGSKIR-WTYVLRPYSA-N 0 0 597.762 7.369 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000053339168 554343091 /nfs/dbraw/zinc/34/30/91/554343091.db2.gz IMQXVDFAEYSWIE-UXCMTWRGSA-N 0 0 578.753 8.252 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053339016 554343278 /nfs/dbraw/zinc/34/32/78/554343278.db2.gz XGOVKCLNTFDQAJ-MUUNZHRXSA-N 0 0 586.666 6.346 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053339606 554343537 /nfs/dbraw/zinc/34/35/37/554343537.db2.gz WKHDPUCKQSJOJS-PBUKZNKTSA-N 0 0 585.531 8.951 50 30 KKEARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000053339406 554343582 /nfs/dbraw/zinc/34/35/82/554343582.db2.gz MWGLRRBODNUVTG-WJOKGBTCSA-N 0 0 590.189 7.829 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053340413 554344163 /nfs/dbraw/zinc/34/41/63/554344163.db2.gz HSOIHINZNUROPX-AREMUKBSSA-N 0 0 542.657 6.784 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccccc1C#N ZINC000100361365 554345067 /nfs/dbraw/zinc/34/50/67/554345067.db2.gz BECZKBNLJHDLKH-WYMPLXKRSA-N 0 0 525.413 6.689 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000053359634 554345313 /nfs/dbraw/zinc/34/53/13/554345313.db2.gz CRVCAZUSXJBDTC-KCEHZKJRSA-N 0 0 563.525 8.483 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000053360145 554345581 /nfs/dbraw/zinc/34/55/81/554345581.db2.gz RBLNOGDDPSHGLU-GUNSETOZSA-N 0 0 595.490 6.472 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000100361708 554345599 /nfs/dbraw/zinc/34/55/99/554345599.db2.gz RUCWVMQJDOJQQL-FZWCJVCJSA-N 0 0 554.068 5.569 50 30 KKEARN Cc1ccc(-c2c(C#N)c(SCC(=O)c3cc4ccccc4oc3=O)nc(C)c2C(=O)Nc2ccccc2C)o1 ZINC000056683783 554351077 /nfs/dbraw/zinc/35/10/77/554351077.db2.gz LGUCGTKUHGQJFJ-UHFFFAOYSA-N 0 0 549.608 6.472 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc23)SC1=S ZINC000100391674 554367057 /nfs/dbraw/zinc/36/70/57/554367057.db2.gz FUQUXQBQTVPKRK-KEBDBYFISA-N 0 0 536.000 6.339 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100414680 554379574 /nfs/dbraw/zinc/37/95/74/554379574.db2.gz JSRLIVBRIJBJPL-DUKYEPHGSA-N 0 0 546.849 6.402 50 30 KKEARN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000059192670 554384059 /nfs/dbraw/zinc/38/40/59/554384059.db2.gz JJBNIWJRFSJLDX-UHFFFAOYSA-N 0 0 557.901 6.651 50 30 KKEARN CC(C)(C)C1=CC(=NNC(=N)C(=N)NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000059192696 554384394 /nfs/dbraw/zinc/38/43/94/554384394.db2.gz PXGDJPILXFRYRQ-UHFFFAOYSA-N 0 0 520.722 5.468 50 30 KKEARN N#Cc1ccccc1Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000100437116 554393030 /nfs/dbraw/zinc/39/30/30/554393030.db2.gz BDDGUMZNPLVPKP-PEMLLDSZSA-N 0 0 516.670 7.498 50 30 KKEARN O=C1/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100436909 554393043 /nfs/dbraw/zinc/39/30/43/554393043.db2.gz ZAUZYARNHCGTEH-VDFFJDIQSA-N 0 0 527.693 8.389 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)c(Cl)c1 ZINC000100440141 554393377 /nfs/dbraw/zinc/39/33/77/554393377.db2.gz LPDDAJNOUUYKDX-OCSSWDANSA-N 0 0 550.450 5.784 50 30 KKEARN [O-]c1c(Br)cc(Br)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000100454528 554395650 /nfs/dbraw/zinc/39/56/50/554395650.db2.gz VEXZJACTADLPES-WGARJPEWSA-N 0 0 524.216 6.487 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000100455068 554395963 /nfs/dbraw/zinc/39/59/63/554395963.db2.gz PMYKMKWQXAZFAQ-VOCPSOEZSA-N 0 0 525.317 5.613 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000059503813 554400155 /nfs/dbraw/zinc/40/01/55/554400155.db2.gz RHVCVYFBYZFDTP-JRPXNJEYSA-N 0 0 592.614 6.732 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000059503815 554400290 /nfs/dbraw/zinc/40/02/90/554400290.db2.gz RHVCVYFBYZFDTP-DFXYEROKSA-N 0 0 592.614 6.732 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100476402 554400910 /nfs/dbraw/zinc/40/09/10/554400910.db2.gz OCNHRYLAQWCQRZ-PLUIPBISSA-N 0 0 530.005 7.181 50 30 KKEARN CCCCCCCCOP(=O)(CNc1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O)OCCCCCCCC ZINC000100479571 554401537 /nfs/dbraw/zinc/40/15/37/554401537.db2.gz IGHGJNVNSZEYKG-UHFFFAOYSA-N 0 0 606.744 9.957 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000059523748 554405229 /nfs/dbraw/zinc/40/52/29/554405229.db2.gz YFPDYFHTYVTSCG-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000059530942 554406872 /nfs/dbraw/zinc/40/68/72/554406872.db2.gz RQIAAEOJMBLDDC-JPZYQRIQSA-N 0 0 570.711 6.435 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000059587115 554407741 /nfs/dbraw/zinc/40/77/41/554407741.db2.gz GBVIOVMRLAXHNM-PVRZRQTBSA-N 0 0 588.520 5.612 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000059587124 554407764 /nfs/dbraw/zinc/40/77/64/554407764.db2.gz GBVIOVMRLAXHNM-KRXBEKAOSA-N 0 0 588.520 5.612 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)c(OC)cc1Br ZINC000059596016 554408633 /nfs/dbraw/zinc/40/86/33/554408633.db2.gz YCBDKRQXCXWNPC-PVRZRQTBSA-N 0 0 572.452 5.143 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000059603021 554409426 /nfs/dbraw/zinc/40/94/26/554409426.db2.gz FVXLBLQUPPLQDO-VWLOTQADSA-N 0 0 549.697 5.196 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000059603586 554410228 /nfs/dbraw/zinc/41/02/28/554410228.db2.gz ZXGLJVVOZYJQSK-ROTAYESASA-N 0 0 568.626 5.441 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)nc(Nc3ccccc3)n2)cc1 ZINC000100530819 554410523 /nfs/dbraw/zinc/41/05/23/554410523.db2.gz KFROMQJQNLMZAS-UXHLAJHPSA-N 0 0 577.561 6.722 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000059608118 554410754 /nfs/dbraw/zinc/41/07/54/554410754.db2.gz RHUKWFRXLNVWIG-QFIPXVFZSA-N 0 0 543.049 5.192 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000059608115 554410807 /nfs/dbraw/zinc/41/08/07/554410807.db2.gz RHUKWFRXLNVWIG-JOCHJYFZSA-N 0 0 543.049 5.192 50 30 KKEARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)n[nH]2)c1 ZINC000059616909 554413007 /nfs/dbraw/zinc/41/30/07/554413007.db2.gz IPYUQNFMCNDEEB-UHFFFAOYSA-N 0 0 537.601 6.018 50 30 KKEARN O=C[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100542851 554413395 /nfs/dbraw/zinc/41/33/95/554413395.db2.gz JTHTXXXGELTKKN-HKBQPEDESA-N 0 0 594.711 6.981 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059626401 554414553 /nfs/dbraw/zinc/41/45/53/554414553.db2.gz BGSMAGNMSBVXCM-HUOGWEQVSA-N 0 0 560.046 5.839 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100550798 554414642 /nfs/dbraw/zinc/41/46/42/554414642.db2.gz QLBKATVESTXVBE-PZGXJGMVSA-N 0 0 548.466 6.977 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100551072 554414695 /nfs/dbraw/zinc/41/46/95/554414695.db2.gz RMQWLSHWSJRQQQ-NYFMKLKXSA-N 0 0 567.682 6.468 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100552001 554415054 /nfs/dbraw/zinc/41/50/54/554415054.db2.gz SENXPGNKPBIHRC-GTYOFVGBSA-N 0 0 574.073 6.428 50 30 KKEARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000059626867 554415151 /nfs/dbraw/zinc/41/51/51/554415151.db2.gz OWDLPSRNKGTWDB-UHFFFAOYSA-N 0 0 522.586 6.665 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100556713 554416311 /nfs/dbraw/zinc/41/63/11/554416311.db2.gz WOFLXKHCJHZUJA-YKGWIAGDSA-N 0 0 542.031 6.216 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100556449 554416325 /nfs/dbraw/zinc/41/63/25/554416325.db2.gz AIEMBPNUZVCPNN-NYFMKLKXSA-N 0 0 581.665 6.124 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100556450 554416368 /nfs/dbraw/zinc/41/63/68/554416368.db2.gz AIEMBPNUZVCPNN-UTONBFNKSA-N 0 0 581.665 6.124 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557291 554416609 /nfs/dbraw/zinc/41/66/09/554416609.db2.gz VJUKUZJRVPGNJL-CRYYWNKWSA-N 0 0 540.443 6.570 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100557274 554416702 /nfs/dbraw/zinc/41/67/02/554416702.db2.gz HIZAMXNIMXASKP-LXFBAYGMSA-N 0 0 528.446 6.554 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100558826 554417301 /nfs/dbraw/zinc/41/73/01/554417301.db2.gz DNIRRBBWXQNACS-PIKZIKFNSA-N 0 0 556.124 6.405 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000100559108 554417497 /nfs/dbraw/zinc/41/74/97/554417497.db2.gz IBBPXOSLUYBARN-QNLPTKCRSA-N 0 0 572.101 7.113 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100559726 554417582 /nfs/dbraw/zinc/41/75/82/554417582.db2.gz ZMEQXLUJCKPEBE-IPBJYNAHSA-N 0 0 602.525 6.614 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561889 554418328 /nfs/dbraw/zinc/41/83/28/554418328.db2.gz KFSXTXBQKBPDCH-RHJMBEETSA-N 0 0 538.084 6.841 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Br ZINC000100564373 554419194 /nfs/dbraw/zinc/41/91/94/554419194.db2.gz FNBWEXNJYGFLEB-CJAUYULYSA-N 0 0 560.941 6.760 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Br ZINC000100564375 554419224 /nfs/dbraw/zinc/41/92/24/554419224.db2.gz FNBWEXNJYGFLEB-BVZFJXPGSA-N 0 0 560.941 6.760 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100564885 554419381 /nfs/dbraw/zinc/41/93/81/554419381.db2.gz BYWFUOMQBBBQDB-WVXBCFDCSA-N 0 0 602.525 6.701 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2Br)cc1 ZINC000100564713 554419394 /nfs/dbraw/zinc/41/93/94/554419394.db2.gz RTZQWLIKJKVEMP-DIBXZPPDSA-N 0 0 593.518 7.327 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100564802 554419412 /nfs/dbraw/zinc/41/94/12/554419412.db2.gz NAVVCAFGVXOQBK-NDOVKIIASA-N 0 0 563.694 7.122 50 30 KKEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000059652509 554419788 /nfs/dbraw/zinc/41/97/88/554419788.db2.gz BUSWVSGRRXAERI-UHFFFAOYSA-N 0 0 551.974 5.109 50 30 KKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1Cl ZINC000100570171 554421861 /nfs/dbraw/zinc/42/18/61/554421861.db2.gz HHNVFRQJLVYHCN-GSFTWEQGSA-N 0 0 575.996 6.556 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100574764 554422469 /nfs/dbraw/zinc/42/24/69/554422469.db2.gz OEKHYMITKWDPSF-UZTOHYMASA-N 0 0 566.492 6.401 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100575829 554423067 /nfs/dbraw/zinc/42/30/67/554423067.db2.gz GQVXBPXINIRPHX-NSYGIPOTSA-N 0 0 530.448 6.411 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000100575931 554423443 /nfs/dbraw/zinc/42/34/43/554423443.db2.gz SWVPUIXWWBFFLM-NSYGIPOTSA-N 0 0 562.515 6.366 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100578653 554424507 /nfs/dbraw/zinc/42/45/07/554424507.db2.gz WKPDYGDGBFXPSA-KCWXNJEJSA-N 0 0 580.519 6.704 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100581351 554424739 /nfs/dbraw/zinc/42/47/39/554424739.db2.gz PYKONKJTINWJNF-CHJDUVSTSA-N 0 0 549.664 5.672 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000100581370 554424798 /nfs/dbraw/zinc/42/47/98/554424798.db2.gz ZBXSGHDRJZGBNX-UZTOHYMASA-N 0 0 542.097 6.015 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100581871 554425028 /nfs/dbraw/zinc/42/50/28/554425028.db2.gz KUGJLGNERNTKLS-NSYGIPOTSA-N 0 0 606.966 6.475 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100581539 554425031 /nfs/dbraw/zinc/42/50/31/554425031.db2.gz MDOUEPTWXUHIKX-CCLHPLFOSA-N 0 0 542.097 6.015 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000059706442 554426279 /nfs/dbraw/zinc/42/62/79/554426279.db2.gz YVPJEJAIOCYVNG-XDBZFTIUSA-N 0 0 554.470 6.960 50 30 KKEARN CN(C)c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000059727560 554426792 /nfs/dbraw/zinc/42/67/92/554426792.db2.gz MOZGZPPNCXFJIP-UHFFFAOYSA-N 0 0 560.183 5.787 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100588066 554427447 /nfs/dbraw/zinc/42/74/47/554427447.db2.gz WAEHNUKRJZEBLH-IIMAJNMQSA-N 0 0 547.648 5.656 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100588176 554427639 /nfs/dbraw/zinc/42/76/39/554427639.db2.gz ZYYMUUKTKOCKRO-MYUZEXMDSA-N 0 0 586.479 5.026 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588320 554427997 /nfs/dbraw/zinc/42/79/97/554427997.db2.gz VVTUBRHOWYGXQR-QUGAMOGWSA-N 0 0 586.479 5.408 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100588362 554428003 /nfs/dbraw/zinc/42/80/03/554428003.db2.gz MFSXIDMJISWXGE-NRUKRWIHSA-N 0 0 569.654 5.566 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100593445 554429401 /nfs/dbraw/zinc/42/94/01/554429401.db2.gz YEBULHLZEGWWME-HZPZFAMDSA-N 0 0 584.507 6.178 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100593364 554429446 /nfs/dbraw/zinc/42/94/46/554429446.db2.gz UWEVPHGZEHMWST-QUGAMOGWSA-N 0 0 586.479 5.495 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597634 554430445 /nfs/dbraw/zinc/43/04/45/554430445.db2.gz PGZJUWUHDAQRNF-YKGWIAGDSA-N 0 0 563.647 5.341 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100597841 554430679 /nfs/dbraw/zinc/43/06/79/554430679.db2.gz IXAQNDHRFOVVDJ-UDNBHOFDSA-N 0 0 585.653 5.402 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597879 554431024 /nfs/dbraw/zinc/43/10/24/554431024.db2.gz NSXSKOJPXCCJJU-JRPXNJEYSA-N 0 0 547.648 5.656 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC ZINC000059824076 554431818 /nfs/dbraw/zinc/43/18/18/554431818.db2.gz KBDCIXJBYBEZAW-XSFVSMFZSA-N 0 0 567.470 5.317 50 30 KKEARN CCCCCCCCOc1ccc(CNn2c(=O)c3ccccc3nc2-c2ccc(Br)cc2)cc1 ZINC000100647472 554436566 /nfs/dbraw/zinc/43/65/66/554436566.db2.gz HAOJXEBOQHLCJQ-UHFFFAOYSA-N 0 0 534.498 7.309 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100650290 554437129 /nfs/dbraw/zinc/43/71/29/554437129.db2.gz HCNCCZSHZRIWIN-VWLOTQADSA-N 0 0 537.502 5.933 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000100650543 554437136 /nfs/dbraw/zinc/43/71/36/554437136.db2.gz POEVVOAOYSCLKC-SANMLTNESA-N 0 0 530.422 6.243 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650559 554437147 /nfs/dbraw/zinc/43/71/47/554437147.db2.gz SUVHLSGGZRPDHU-MHZLTWQESA-N 0 0 558.476 6.879 50 30 KKEARN O=C(Nc1nc2ccccc2n1Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100658712 554438179 /nfs/dbraw/zinc/43/81/79/554438179.db2.gz RGZQFGMYWACYLE-UHFFFAOYSA-N 0 0 569.321 6.762 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000100661939 554439375 /nfs/dbraw/zinc/43/93/75/554439375.db2.gz GECDFUBQQQGIQV-GJKZIJEQSA-N 0 0 629.178 6.158 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000100668529 554440456 /nfs/dbraw/zinc/44/04/56/554440456.db2.gz YYVLATHVNYNJOY-URNDWHGUSA-N 0 0 559.685 7.886 50 30 KKEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(Cn4nnc5ccccc54)c3)C2=O)cc1Cn1nnc2ccccc21 ZINC000100668639 554440514 /nfs/dbraw/zinc/44/05/14/554440514.db2.gz ZNTZRRGXXJQGCR-BFNWXZRRSA-N 0 0 596.691 6.510 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669450 554440683 /nfs/dbraw/zinc/44/06/83/554440683.db2.gz ZTCJSNNBQMAOMF-DCFHFQCYSA-N 0 0 581.432 7.468 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC ZINC000100669478 554440708 /nfs/dbraw/zinc/44/07/08/554440708.db2.gz MRCJHRJWKAXLPW-PIKZIKFNSA-N 0 0 539.632 5.416 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100669819 554440984 /nfs/dbraw/zinc/44/09/84/554440984.db2.gz QNRIIRXYVLYNGM-RBTNQOKQSA-N 0 0 548.630 7.428 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000100669949 554440996 /nfs/dbraw/zinc/44/09/96/554440996.db2.gz PHMNRUGBJPFQNZ-MHZLTWQESA-N 0 0 552.980 7.758 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669935 554441004 /nfs/dbraw/zinc/44/10/04/554441004.db2.gz CMHWAJYPIONBKQ-JOCHJYFZSA-N 0 0 523.382 7.255 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000100669930 554441035 /nfs/dbraw/zinc/44/10/35/554441035.db2.gz WJROOLPAWRQLHE-OAQYLSRUSA-N 0 0 539.779 6.728 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000100671737 554441522 /nfs/dbraw/zinc/44/15/22/554441522.db2.gz BFPPSYYVZSMNFP-KRWDZBQOSA-N 0 0 609.795 6.413 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674103 554442593 /nfs/dbraw/zinc/44/25/93/554442593.db2.gz URNFQEMZFRRMRL-ZIINUWHCSA-N 0 0 625.718 5.997 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000100678358 554444988 /nfs/dbraw/zinc/44/49/88/554444988.db2.gz CZYJWNRGPUWWBJ-LJAQVGFWSA-N 0 0 536.584 5.456 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000100678373 554445066 /nfs/dbraw/zinc/44/50/66/554445066.db2.gz JTWGXPOVFVLUBZ-HHHXNRCGSA-N 0 0 532.593 5.065 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100681098 554447196 /nfs/dbraw/zinc/44/71/96/554447196.db2.gz GGUHJXNZORSMFN-DEOSSOPVSA-N 0 0 562.688 6.497 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681200 554447589 /nfs/dbraw/zinc/44/75/89/554447589.db2.gz UXBLYKJFFKLMDY-ABYGYWHVSA-N 0 0 551.680 6.056 50 30 KKEARN Cc1ccc2cc(/C=C/C(=O)c3c(C)nc4ccc(Br)cc4c3-c3ccccc3)c(Cl)nc2c1 ZINC000100682112 554447850 /nfs/dbraw/zinc/44/78/50/554447850.db2.gz HTEARJURCRRPPI-JLHYYAGUSA-N 0 0 527.849 8.379 50 30 KKEARN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000100683613 554448360 /nfs/dbraw/zinc/44/83/60/554448360.db2.gz PYFZFALAOCQJED-CSJROMOCSA-N 0 0 597.133 5.202 50 30 KKEARN CCCCCCCCCCCCCCCCCCSCCNC(=O)/C=C/c1c(C)nc(OC)nc1OC ZINC000100686067 554449340 /nfs/dbraw/zinc/44/93/40/554449340.db2.gz VJOBJOFSGDIFMK-QURGRASLSA-N 0 0 535.839 7.926 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100691566 554450158 /nfs/dbraw/zinc/45/01/58/554450158.db2.gz OBBARAORXXPLLL-WINIVTDRSA-N 0 0 572.123 6.111 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100693420 554450518 /nfs/dbraw/zinc/45/05/18/554450518.db2.gz MDTZOECWIUFTTP-VWLOTQADSA-N 0 0 589.497 9.188 50 30 KKEARN O=C(NC(NN/C(=N/c1ccc(F)cc1F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1F ZINC000100696979 554451083 /nfs/dbraw/zinc/45/10/83/554451083.db2.gz ZUBLHXFICLPSIC-UHFFFAOYSA-N 0 0 526.281 5.041 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000100702093 554452274 /nfs/dbraw/zinc/45/22/74/554452274.db2.gz RCCTVJDTQDRAKX-SFHVURJKSA-N 0 0 527.902 5.843 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(CC(C)C)=NN3C2=N)cc1OCC ZINC000100711584 554453890 /nfs/dbraw/zinc/45/38/90/554453890.db2.gz DADPCZMVRPLFGJ-VBQKCMTDSA-N 0 0 532.666 5.937 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000100719129 554454905 /nfs/dbraw/zinc/45/49/05/554454905.db2.gz HXSZXIPKCOEJFC-VWLOTQADSA-N 0 0 559.047 8.640 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100726872 554457419 /nfs/dbraw/zinc/45/74/19/554457419.db2.gz YYVFJONRZYFKRD-QHCPKHFHSA-N 0 0 582.038 8.175 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000100726796 554457521 /nfs/dbraw/zinc/45/75/21/554457521.db2.gz PPLRSLMQZMFUMB-HSZRJFAPSA-N 0 0 571.486 8.920 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100726870 554457550 /nfs/dbraw/zinc/45/75/50/554457550.db2.gz YYVFJONRZYFKRD-HSZRJFAPSA-N 0 0 582.038 8.175 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@@H](O)C[S@](=O)Cc1ccccc1 ZINC000100728477 554458474 /nfs/dbraw/zinc/45/84/74/554458474.db2.gz UIJDLOUTLRCUGU-COOREUGTSA-N 0 0 563.542 6.452 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728418 554458493 /nfs/dbraw/zinc/45/84/93/554458493.db2.gz WOFXBVOAKRZCRZ-CZTRJMPPSA-N 0 0 533.118 6.651 50 30 KKEARN N#Cc1c(SC[C@@H](O)C[S@](=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728658 554458772 /nfs/dbraw/zinc/45/87/72/554458772.db2.gz RGZHNYDWZIRYGD-IFXFPORBSA-N 0 0 525.120 6.404 50 30 KKEARN CC(C)(C)c1ccc([S@](=O)C[C@@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728678 554458812 /nfs/dbraw/zinc/45/88/12/554458812.db2.gz RVCQWJNMBDEEOW-YMLFONJDSA-N 0 0 532.756 6.907 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732484 554460230 /nfs/dbraw/zinc/46/02/30/554460230.db2.gz GFPALQJHYIMBPL-FTBPSBKWSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100732412 554460284 /nfs/dbraw/zinc/46/02/84/554460284.db2.gz PNMHLOUFUSRSFJ-DJBQJLJGSA-N 0 0 625.718 5.997 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 ZINC000100738132 554461477 /nfs/dbraw/zinc/46/14/77/554461477.db2.gz PAEKVROYLRIXTH-UHFFFAOYSA-N 0 0 545.639 6.386 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000100738442 554462186 /nfs/dbraw/zinc/46/21/86/554462186.db2.gz KUKCVZXRTXRHKQ-UHFFFAOYSA-N 0 0 565.199 7.989 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000100738978 554462208 /nfs/dbraw/zinc/46/22/08/554462208.db2.gz CKHGCIMCAMKJPA-UHFFFAOYSA-N 0 0 619.765 7.395 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Cl)c1 ZINC000100741008 554462891 /nfs/dbraw/zinc/46/28/91/554462891.db2.gz ZWQYETRVYMUQCM-UHFFFAOYSA-N 0 0 560.050 5.895 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5n[nH]cc5C[C@]43C)[C@H]2C1 ZINC000100743728 554463690 /nfs/dbraw/zinc/46/36/90/554463690.db2.gz SIJVNGBTVXITIK-GFNHXPBMSA-N 0 0 506.731 6.577 50 30 biogenic KKEARN CCCCCCOc1ccc(OCCOc2c(Br)cc(/C=N/n3cnnc3)cc2OCC)cc1 ZINC000100756110 554466960 /nfs/dbraw/zinc/46/69/60/554466960.db2.gz GTKJQAJFWJLKPH-STBIYBPSSA-N 0 0 531.451 5.738 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000100756024 554467014 /nfs/dbraw/zinc/46/70/14/554467014.db2.gz LOHXOMHSVFUQNP-MEFGMAGPSA-N 0 0 533.763 7.890 50 30 KKEARN COc1cccc(-n2c(=O)c3c(nc2N/N=C/c2ccc4c(c2)OCO4)-c2ccccc2CC32CCCCC2)c1 ZINC000100789010 554472700 /nfs/dbraw/zinc/47/27/00/554472700.db2.gz XQDUUIDEACEMDV-HNSNBQBZSA-N 0 0 534.616 5.841 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OCC ZINC000100814982 554476141 /nfs/dbraw/zinc/47/61/41/554476141.db2.gz DULDRSLYHZOQNB-WROFDHFLSA-N 0 0 595.581 8.875 50 30 KKEARN CCCCCCCCCCOc1ccc(C=Nn2c(=O)[nH]c3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc1 ZINC000100820117 554479027 /nfs/dbraw/zinc/47/90/27/554479027.db2.gz DTMZRNNKUYBDSQ-NDZAJKAJSA-N 0 0 520.630 5.590 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000100833806 554483190 /nfs/dbraw/zinc/48/31/90/554483190.db2.gz RLWFXSKFFBTRMC-XOVJRCOKSA-N 0 0 558.494 5.603 50 30 KKEARN CC1(C)CC(=O)C(C(c2nc(-c3ccc(Cl)cc3)n3ccccc23)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100835007 554483472 /nfs/dbraw/zinc/48/34/72/554483472.db2.gz CHSBMKIBBGMPFC-SANMLTNESA-N 0 0 519.041 6.514 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)SC1=S ZINC000100836766 554483797 /nfs/dbraw/zinc/48/37/97/554483797.db2.gz JENKDTDWABEAEQ-VHXPQNKSSA-N 0 0 575.678 6.623 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000100838598 554486171 /nfs/dbraw/zinc/48/61/71/554486171.db2.gz NTABRPFJWVCRSX-SWKFRHMKSA-N 0 0 575.844 8.834 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000100838900 554486735 /nfs/dbraw/zinc/48/67/35/554486735.db2.gz RNGTTYDLYNPKJI-SXBRIOAWSA-N 0 0 581.807 8.680 50 30 KKEARN COC(=O)N1S/C(=N\C(=N\c2ccc(C)cc2)c2ccccc2)N(c2ccc(OC)cc2)[C@@H]1C(Cl)(Cl)Cl ZINC000100846401 554491215 /nfs/dbraw/zinc/49/12/15/554491215.db2.gz KJNUNBMJMKHNLS-KGWYSVTHSA-N 0 0 577.921 7.371 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000100871502 554499590 /nfs/dbraw/zinc/49/95/90/554499590.db2.gz KRCFDUGKKXMFQO-VNYPMVQGSA-N 0 0 544.626 7.448 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000100871500 554499639 /nfs/dbraw/zinc/49/96/39/554499639.db2.gz KRCFDUGKKXMFQO-WWCBJALISA-N 0 0 544.626 7.448 50 30 KKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CCCCCC)cc3)cc2)cc1 ZINC000060272658 554504706 /nfs/dbraw/zinc/50/47/06/554504706.db2.gz AYYWUKWHSHVSLJ-MUUNZHRXSA-N 0 0 558.759 9.828 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000100878665 554505832 /nfs/dbraw/zinc/50/58/32/554505832.db2.gz RXFSEMMNUXFBIR-PWDIZTEBSA-N 0 0 579.392 8.796 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000100885251 554508436 /nfs/dbraw/zinc/50/84/36/554508436.db2.gz YUGDMPDPOSZMCT-HXUWFJFHSA-N 0 0 526.014 5.003 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000100885244 554508446 /nfs/dbraw/zinc/50/84/46/554508446.db2.gz YUGDMPDPOSZMCT-FQEVSTJZSA-N 0 0 526.014 5.003 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000100885115 554508456 /nfs/dbraw/zinc/50/84/56/554508456.db2.gz YEBJOIBAVCAUHG-OAQYLSRUSA-N 0 0 537.613 5.125 50 30 KKEARN CN1CCN([C@H]2/C(=N/C3CCCCC3)N(c3cccc(C(F)(F)F)c3)C(=S)C23CCCCC3)CC1 ZINC000063600587 554510079 /nfs/dbraw/zinc/51/00/79/554510079.db2.gz JKRBNIXKSDXGTD-SXBMZLNQSA-N 0 0 506.682 6.151 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000100894200 554513489 /nfs/dbraw/zinc/51/34/89/554513489.db2.gz FDPLPCVWOXCIOS-UZYVYHOESA-N 0 0 509.722 6.407 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100916742 554520030 /nfs/dbraw/zinc/52/00/30/554520030.db2.gz FTROQAPDQOXVAQ-LVGDFUMNSA-N 0 0 546.649 5.607 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100916739 554520035 /nfs/dbraw/zinc/52/00/35/554520035.db2.gz FTROQAPDQOXVAQ-IABYKIDSSA-N 0 0 546.649 5.607 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100929278 554525845 /nfs/dbraw/zinc/52/58/45/554525845.db2.gz OHRRWZZYRZXFNZ-UHFFFAOYSA-N 0 0 504.264 5.439 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100934296 554528930 /nfs/dbraw/zinc/52/89/30/554528930.db2.gz GRGJEXQVGSGBME-MHZLTWQESA-N 0 0 530.543 5.042 50 30 KKEARN COc1ccc(CCN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000100934767 554529092 /nfs/dbraw/zinc/52/90/92/554529092.db2.gz JLLHSGWFNMJMBB-LJAQVGFWSA-N 0 0 564.645 5.510 50 30 KKEARN N=C(NOC(=O)c1cccnc1Oc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100937524 554531287 /nfs/dbraw/zinc/53/12/87/554531287.db2.gz FWARHIGTFCVSEN-UHFFFAOYSA-N 0 0 528.874 6.211 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100964520 554542975 /nfs/dbraw/zinc/54/29/75/554542975.db2.gz BDCXYTKFWFQHPQ-NFMXCSJRSA-N 0 0 547.633 5.373 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100964525 554542987 /nfs/dbraw/zinc/54/29/87/554542987.db2.gz BDCXYTKFWFQHPQ-XDNZSQCXSA-N 0 0 547.633 5.373 50 30 KKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100969865 554543619 /nfs/dbraw/zinc/54/36/19/554543619.db2.gz KSYZCRJODFWSSC-UHFFFAOYSA-N 0 0 573.284 10.081 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1cccc2ccccc21 ZINC000100989308 554549807 /nfs/dbraw/zinc/54/98/07/554549807.db2.gz SGEVFQPKKFICAX-UHFFFAOYSA-N 0 0 600.091 7.735 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S ZINC000101011520 554558051 /nfs/dbraw/zinc/55/80/51/554558051.db2.gz QXMKMGSJOVWVCT-MOHJPFBDSA-N 0 0 542.815 7.193 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000101020788 554561544 /nfs/dbraw/zinc/56/15/44/554561544.db2.gz IHPGGUZGCADJFL-VFLNYLIXSA-N 0 0 546.863 7.834 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000101022777 554562199 /nfs/dbraw/zinc/56/21/99/554562199.db2.gz YTIJUBYAJYJSFI-KKMKTNMSSA-N 0 0 543.388 6.699 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000101022846 554562204 /nfs/dbraw/zinc/56/22/04/554562204.db2.gz AGZVXEICESGNBJ-UHFFFAOYSA-N 0 0 628.897 9.288 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccccc1)c(-c1ccccc1)c3-c1ccccc1)c1ccccc1 ZINC000101034678 554565319 /nfs/dbraw/zinc/56/53/19/554565319.db2.gz OXDPPAJJLARDDB-SBWWSWLISA-N 0 0 548.650 7.402 50 30 KKEARN C/C(=N\c1nn2c(nc(C)c/c2=N/c2ccc(Cl)cc2[N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000101062763 554570625 /nfs/dbraw/zinc/57/06/25/554570625.db2.gz HJYVZKFUZGGFBY-XUFSTYSMSA-N 0 0 517.796 5.796 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000101062629 554570708 /nfs/dbraw/zinc/57/07/08/554570708.db2.gz VAALXLODCWUHSS-AYWGPLOBSA-N 0 0 523.427 6.484 50 30 KKEARN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000101069771 554574106 /nfs/dbraw/zinc/57/41/06/554574106.db2.gz AIOTWXVWIGBFRG-QKJBWNOYSA-N 0 0 558.432 5.182 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1OC ZINC000101090661 554581928 /nfs/dbraw/zinc/58/19/28/554581928.db2.gz KVDBNZFVZUAQBR-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101100182 554586843 /nfs/dbraw/zinc/58/68/43/554586843.db2.gz XXWNHTXNIFEWLG-MOBKVPTQSA-N 0 0 519.420 6.302 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101137 554588064 /nfs/dbraw/zinc/58/80/64/554588064.db2.gz VICIDITZSZLAQX-WGGXKBPPSA-N 0 0 605.529 5.481 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101652 554638770 /nfs/dbraw/zinc/63/87/70/554638770.db2.gz LWNPYKKVOQDGHN-IAMBOQNYSA-N 0 0 519.420 6.302 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5ccc(C)cc5)nc4c32)cc1 ZINC000101117291 554643327 /nfs/dbraw/zinc/64/33/27/554643327.db2.gz JMWZOHDPLXDKMT-HPKVOAPZSA-N 0 0 541.611 6.821 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)CC1S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000101125323 554644869 /nfs/dbraw/zinc/64/48/69/554644869.db2.gz BJYWUQQZKAREHD-ZUSALWDXSA-N 0 0 519.648 5.578 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128358 554646720 /nfs/dbraw/zinc/64/67/20/554646720.db2.gz RGKSTJBSTKZPIO-KMBIYUNPSA-N 0 0 581.477 5.540 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1C ZINC000101130101 554649116 /nfs/dbraw/zinc/64/91/16/554649116.db2.gz MPWQOOHCQCPLND-RTJYLNGCSA-N 0 0 537.710 7.375 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000101130065 554649134 /nfs/dbraw/zinc/64/91/34/554649134.db2.gz IDAYUKCHZNLAKM-VFCFBJKWSA-N 0 0 537.710 6.856 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000101134333 554651007 /nfs/dbraw/zinc/65/10/07/554651007.db2.gz SHFSMXFAGLLVIG-IDPOGUJKSA-N 0 0 527.584 6.513 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1OC ZINC000101140112 554652778 /nfs/dbraw/zinc/65/27/78/554652778.db2.gz PZKMGCGFFLXUQV-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101169443 554661481 /nfs/dbraw/zinc/66/14/81/554661481.db2.gz ONJYLSORVRLCDB-MHZLTWQESA-N 0 0 533.650 5.057 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 ZINC000101185053 554668980 /nfs/dbraw/zinc/66/89/80/554668980.db2.gz HBEMEJOGUMBQDL-UHFFFAOYSA-N 0 0 528.907 8.537 50 30 KKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101184991 554668982 /nfs/dbraw/zinc/66/89/82/554668982.db2.gz GWOWKFOSJZPMBB-UHFFFAOYSA-N 0 0 554.514 7.901 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000101194587 554671863 /nfs/dbraw/zinc/67/18/63/554671863.db2.gz BLAYSRDLQMWOLT-RCRUUEGKSA-N 0 0 549.664 5.432 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2C)cc1OC ZINC000101194640 554671865 /nfs/dbraw/zinc/67/18/65/554671865.db2.gz FAJGJBUIKWZWIV-NLGDKJDOSA-N 0 0 537.656 6.160 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204465 554674342 /nfs/dbraw/zinc/67/43/42/554674342.db2.gz OEHWHLHVFIKCRH-SFRLIIPVSA-N 0 0 581.709 6.988 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204473 554674346 /nfs/dbraw/zinc/67/43/46/554674346.db2.gz OEHWHLHVFIKCRH-JKFCTSDTSA-N 0 0 581.709 6.988 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101204524 554674580 /nfs/dbraw/zinc/67/45/80/554674580.db2.gz RCZNHGCSIJHFET-VKGTZQKMSA-N 0 0 600.506 5.416 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101204780 554674943 /nfs/dbraw/zinc/67/49/43/554674943.db2.gz DVCFZRYMEBUMPV-UTONBFNKSA-N 0 0 567.682 6.598 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204820 554674950 /nfs/dbraw/zinc/67/49/50/554674950.db2.gz QCNTUMCXBXJXGV-OGVWKLGRSA-N 0 0 567.682 6.598 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208970 554678063 /nfs/dbraw/zinc/67/80/63/554678063.db2.gz MWUKGFOGJKHTBI-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209551 554678216 /nfs/dbraw/zinc/67/82/16/554678216.db2.gz BIMTXWRMAHXMSM-UHFFFAOYSA-N 0 0 547.486 7.236 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209805 554678504 /nfs/dbraw/zinc/67/85/04/554678504.db2.gz CUGGBMYDQVMWKZ-UHFFFAOYSA-N 0 0 528.996 5.497 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1cccc(Br)c1 ZINC000101209962 554678710 /nfs/dbraw/zinc/67/87/10/554678710.db2.gz VLPQFDRMSBTKFH-QHCPKHFHSA-N 0 0 543.458 5.483 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212792 554679976 /nfs/dbraw/zinc/67/99/76/554679976.db2.gz KDMYLNMBVCMKRT-OOOSNSGVSA-N 0 0 583.681 5.834 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212791 554679988 /nfs/dbraw/zinc/67/99/88/554679988.db2.gz KDMYLNMBVCMKRT-NYFMKLKXSA-N 0 0 583.681 5.834 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212767 554680011 /nfs/dbraw/zinc/68/00/11/554680011.db2.gz CMTQCZLIILEZRM-CYFIQEHSSA-N 0 0 593.720 7.130 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212828 554680018 /nfs/dbraw/zinc/68/00/18/554680018.db2.gz WDPFPEUMDRCXGU-XVODIUIHSA-N 0 0 607.747 7.520 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212906 554680229 /nfs/dbraw/zinc/68/02/29/554680229.db2.gz BYFAUIUQQWPRQU-IOPIDLMNSA-N 0 0 628.560 6.577 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000101215738 554681626 /nfs/dbraw/zinc/68/16/26/554681626.db2.gz KLRRGIVHNUYSDM-UHFFFAOYSA-N 0 0 571.046 5.437 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218217 554685261 /nfs/dbraw/zinc/68/52/61/554685261.db2.gz OLEOOCSRPJRCNO-KYPAFFJZSA-N 0 0 581.709 6.986 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101218334 554685481 /nfs/dbraw/zinc/68/54/81/554685481.db2.gz WTALXVWVVHEWKK-OLILMLBXSA-N 0 0 614.533 5.805 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218550 554685640 /nfs/dbraw/zinc/68/56/40/554685640.db2.gz RQCMAQLFZPGHAM-JPQMRUPTSA-N 0 0 585.653 5.402 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000101218581 554685682 /nfs/dbraw/zinc/68/56/82/554685682.db2.gz OUOFPMDRCMXSST-FWUCURJTSA-N 0 0 555.627 5.393 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218766 554685898 /nfs/dbraw/zinc/68/58/98/554685898.db2.gz YBGSEYKGBDRFOX-UHFFFAOYSA-N 0 0 535.069 5.625 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218700 554685913 /nfs/dbraw/zinc/68/59/13/554685913.db2.gz CCMOKFFNNRDMRI-XMMPIXPASA-N 0 0 531.099 5.092 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219304 554686118 /nfs/dbraw/zinc/68/61/18/554686118.db2.gz OFPGAMLDESNITQ-UHFFFAOYSA-N 0 0 571.486 5.670 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220662 554686544 /nfs/dbraw/zinc/68/65/44/554686544.db2.gz ZISCNSCBDFMPAA-KWMCUTETSA-N 0 0 616.505 5.035 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220759 554686825 /nfs/dbraw/zinc/68/68/25/554686825.db2.gz YCVNKPFUCPWEJB-GJBXTBEHSA-N 0 0 589.729 6.739 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220741 554686858 /nfs/dbraw/zinc/68/68/58/554686858.db2.gz LXSVSLNPPCLZHL-SLQAJWMNSA-N 0 0 630.532 5.425 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220785 554686888 /nfs/dbraw/zinc/68/68/88/554686888.db2.gz GSCNDKAEGJUECQ-JIYROHSKSA-N 0 0 575.702 6.349 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220788 554686892 /nfs/dbraw/zinc/68/68/92/554686892.db2.gz GSCNDKAEGJUECQ-HEIROHQZSA-N 0 0 575.702 6.349 50 30 KKEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccc(Oc3ccccc3)cc2)C1=O ZINC000101231386 554689440 /nfs/dbraw/zinc/68/94/40/554689440.db2.gz AQCLLKQXONPIMG-BLCKFSMSSA-N 0 0 589.743 5.123 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101237108 554691625 /nfs/dbraw/zinc/69/16/25/554691625.db2.gz OEPQKWRIRQMFHC-SAIUNTKASA-N 0 0 634.733 5.371 50 30 KKEARN C=CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)[C@H](c2cccc(Cl)c2)NC1=O ZINC000101238661 554692795 /nfs/dbraw/zinc/69/27/95/554692795.db2.gz SBDNBLDNINBHPF-MHZLTWQESA-N 0 0 528.996 5.120 50 30 KKEARN COc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1Br ZINC000101256642 554697069 /nfs/dbraw/zinc/69/70/69/554697069.db2.gz HVNPWSLTPWCRBB-VNIJRHKQSA-N 0 0 535.276 5.989 50 30 KKEARN COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(Cn4nc(C)cc4C)c3)C2=O)cc1Cn1nc(C)cc1C ZINC000101257841 554697073 /nfs/dbraw/zinc/69/70/73/554697073.db2.gz OOVWKBZIRUSPSP-RKMZGRCJSA-N 0 0 564.730 6.893 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101267053 554699509 /nfs/dbraw/zinc/69/95/09/554699509.db2.gz AKNMBDAHQFZXLP-RETWFDOMSA-N 0 0 548.006 6.108 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccco2)cc1 ZINC000101273543 554701876 /nfs/dbraw/zinc/70/18/76/554701876.db2.gz WHICVGKEUWUGOU-QAJWAAMASA-N 0 0 547.575 5.447 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000101276757 554702867 /nfs/dbraw/zinc/70/28/67/554702867.db2.gz ZRMGULIZLKLAGO-ZHHPLPSFSA-N 0 0 548.617 5.136 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276802 554703219 /nfs/dbraw/zinc/70/32/19/554703219.db2.gz WWZXNUYCGMYIBV-NGAXIMOQSA-N 0 0 602.709 6.169 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276809 554703254 /nfs/dbraw/zinc/70/32/54/554703254.db2.gz MMAKXGFXONHFFK-QBCYBHDASA-N 0 0 622.699 6.323 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277738 554704261 /nfs/dbraw/zinc/70/42/61/554704261.db2.gz UAGWFEVOYNZJES-SBXHHDGASA-N 0 0 560.628 5.315 50 30 KKEARN CCOc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1OC ZINC000101287766 554706586 /nfs/dbraw/zinc/70/65/86/554706586.db2.gz LKGVOKWIBACIHT-WJOKGBTCSA-N 0 0 605.720 7.322 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@@H](c3ccccc3[N+](=O)[O-])C12 ZINC000101287931 554706662 /nfs/dbraw/zinc/70/66/62/554706662.db2.gz MXMZMNUPJVSHQT-NDEPHWFRSA-N 0 0 576.638 6.823 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293937 554710340 /nfs/dbraw/zinc/71/03/40/554710340.db2.gz VSMLCPOIJYZEBV-NPJIAGGLSA-N 0 0 531.033 6.703 50 30 KKEARN COc1cc(OC)c([C@@H]2c3c([nH]nc3-c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101293942 554710357 /nfs/dbraw/zinc/71/03/57/554710357.db2.gz ODLWXGGPACJERK-QFIPXVFZSA-N 0 0 538.442 6.066 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294082 554710643 /nfs/dbraw/zinc/71/06/43/554710643.db2.gz WPODKPCVNNRLGQ-UUALVTFQSA-N 0 0 540.641 6.449 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294083 554710686 /nfs/dbraw/zinc/71/06/86/554710686.db2.gz WPODKPCVNNRLGQ-ONQGDUAMSA-N 0 0 540.641 6.449 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294250 554710979 /nfs/dbraw/zinc/71/09/79/554710979.db2.gz DQQNPDMITVQYGI-QBTYMPIYSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294343 554711298 /nfs/dbraw/zinc/71/12/98/554711298.db2.gz VXAAZGPQXPUKCD-CJJGVWJISA-N 0 0 556.596 5.267 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000101298606 554712740 /nfs/dbraw/zinc/71/27/40/554712740.db2.gz PQOAZSPPSJHZMF-VEZPTTSMSA-N 0 0 535.596 6.354 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310213 554716995 /nfs/dbraw/zinc/71/69/95/554716995.db2.gz CSDLTQKYWIWAJG-DNNDWWBDSA-N 0 0 525.601 5.595 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310198 554717092 /nfs/dbraw/zinc/71/70/92/554717092.db2.gz VGWOQQFMNLPLFT-GSYBUTJLSA-N 0 0 539.628 5.638 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310259 554717335 /nfs/dbraw/zinc/71/73/35/554717335.db2.gz JJASZBMSRDAAFW-HWTUVFLMSA-N 0 0 582.678 6.518 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310426 554717871 /nfs/dbraw/zinc/71/78/71/554717871.db2.gz IANPYJQIUFGAPJ-DFXXOVSGSA-N 0 0 600.649 5.666 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312886 554721060 /nfs/dbraw/zinc/72/10/60/554721060.db2.gz AQZJVQCZOOMNBR-JWXXLELASA-N 0 0 596.639 5.962 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313901 554722513 /nfs/dbraw/zinc/72/25/13/554722513.db2.gz DWWUSAYEPIEKOY-XXASTYAFSA-N 0 0 554.624 5.875 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316571 554723563 /nfs/dbraw/zinc/72/35/63/554723563.db2.gz UYCHDWNIUWOMOU-WKUSSTJHSA-N 0 0 568.651 6.210 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316431 554723606 /nfs/dbraw/zinc/72/36/06/554723606.db2.gz FOVUMZIZTFEANM-MWCANZRFSA-N 0 0 572.639 5.309 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316574 554723859 /nfs/dbraw/zinc/72/38/59/554723859.db2.gz VGUJWRBRMFJYAD-ONQGDUAMSA-N 0 0 570.623 5.657 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318654 554725952 /nfs/dbraw/zinc/72/59/52/554725952.db2.gz KVUJWPMSFGUUSH-UMKORLBGSA-N 0 0 596.639 5.962 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000101322358 554728468 /nfs/dbraw/zinc/72/84/68/554728468.db2.gz NIUXOQDLWVMUEM-UHFFFAOYSA-N 0 0 523.850 9.537 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000101327632 554729503 /nfs/dbraw/zinc/72/95/03/554729503.db2.gz GWSHTAZLPMYZMN-UHFFFAOYSA-N 0 0 553.566 6.280 50 30 KKEARN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000101341761 554735865 /nfs/dbraw/zinc/73/58/65/554735865.db2.gz GQMJIKODALVQEH-IMRQLAEWSA-N 0 0 609.611 7.627 50 30 KKEARN CCCc1nnc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@H]2c2ccc(CC)cc2)s1 ZINC000101344545 554736926 /nfs/dbraw/zinc/73/69/26/554736926.db2.gz NZQHTEODMYBTGX-JOCHJYFZSA-N 0 0 530.675 6.268 50 30 KKEARN Cc1c2cc3c(cc2o/c(=N/OC(=O)CCCNC(=O)OC(C)(C)C)c1Cc1ccccc1)OC1(CCCCC1)CC3 ZINC000101344927 554737080 /nfs/dbraw/zinc/73/70/80/554737080.db2.gz AHKOADBSMCNNAQ-XKMRCYARSA-N 0 0 574.718 7.024 50 30 KKEARN Cc1nc(Sc2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000101346064 554737436 /nfs/dbraw/zinc/73/74/36/554737436.db2.gz AAIIJPUKZHAXRI-HSZRJFAPSA-N 0 0 570.136 5.557 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCCCC)cc2)nnc1-c1cc(Br)ccc1O ZINC000101349871 554738094 /nfs/dbraw/zinc/73/80/94/554738094.db2.gz WGEJZRNOFPERSU-UHFFFAOYSA-N 0 0 545.459 5.287 50 30 KKEARN C=CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000101363842 554743497 /nfs/dbraw/zinc/74/34/97/554743497.db2.gz ILKRRIURJHWAPP-UHFFFAOYSA-N 0 0 526.687 7.008 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccccc1 ZINC000101362764 554743527 /nfs/dbraw/zinc/74/35/27/554743527.db2.gz UTIVHWRGNKJPEC-FQLXRVMXSA-N 0 0 531.759 6.620 50 30 KKEARN C=CCn1c(SCc2c(F)ccc(F)c2Cl)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367782 554743940 /nfs/dbraw/zinc/74/39/40/554743940.db2.gz PYUAALZMEHNTKD-UHFFFAOYSA-N 0 0 595.071 7.596 50 30 KKEARN C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367775 554743982 /nfs/dbraw/zinc/74/39/82/554743982.db2.gz SEULJYYTGAETFO-UHFFFAOYSA-N 0 0 614.596 7.360 50 30 KKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367822 554744197 /nfs/dbraw/zinc/74/41/97/554744197.db2.gz VZOXYDNFEZQKMM-UHFFFAOYSA-N 0 0 603.542 7.427 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3cc(Br)c4c(c3)OCCO4)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000101372547 554744823 /nfs/dbraw/zinc/74/48/23/554744823.db2.gz UKFSWOCLRDGDNR-IBGZPJMESA-N 0 0 552.465 5.877 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376332 554746387 /nfs/dbraw/zinc/74/63/87/554746387.db2.gz CXOAZCIPBACRNH-JOCHJYFZSA-N 0 0 538.069 5.933 50 30 KKEARN CCCCCCCCCC[C@H](O)[C@@H]1CC=C2C(=O)N(c3ccccc3)C(=O)[C@@H]2N1Nc1ccc([N+](=O)[O-])cc1 ZINC000101387667 554753418 /nfs/dbraw/zinc/75/34/18/554753418.db2.gz KVHGJAKTBPFFNV-WXIAYYLYSA-N 0 0 534.657 5.612 50 30 in-vitro KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccc(F)c(Cl)c1)cn2CC ZINC000101391239 554754774 /nfs/dbraw/zinc/75/47/74/554754774.db2.gz SDVNYFXUGGVGDS-JFLMPSFJSA-N 0 0 538.114 5.585 50 30 KKEARN Cc1ccc(Sc2nn3c(c2NC(=O)c2ccccc2)N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000101411019 554763738 /nfs/dbraw/zinc/76/37/38/554763738.db2.gz FTNNHPBTEJAUCW-MUUNZHRXSA-N 0 0 569.130 7.907 50 30 KKEARN CC(C)(C)OC(=O)N[C@@H](C(=O)O/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3)c1ccccc1 ZINC000101478869 554783193 /nfs/dbraw/zinc/78/31/93/554783193.db2.gz YGDDFMVDHPKDRK-ALHZMYRWSA-N 0 0 572.702 6.964 50 30 KKEARN CCOc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(OC(C)=O)c(OCC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000101532882 554795330 /nfs/dbraw/zinc/79/53/30/554795330.db2.gz YABNCXKMLZUVIP-JTMCVSSMSA-N 0 0 547.431 6.861 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3N2)cc1OC ZINC000101555461 554796907 /nfs/dbraw/zinc/79/69/07/554796907.db2.gz MNYLKNJCPQYLIF-VNMLXUOPSA-N 0 0 545.587 5.871 50 30 KKEARN CCOCCN1C(=O)/C(=C\c2cc(OCC)c(OCC(=O)OCC)cc2Br)S/C1=N/c1ccccc1 ZINC000101633318 554812088 /nfs/dbraw/zinc/81/20/88/554812088.db2.gz YTHGQNAGQYYRCI-XNMVVWAFSA-N 0 0 577.497 5.430 50 30 KKEARN CC(C)(C)c1ccc(COc2coc(CN3CCCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC3)cc2=O)cc1 ZINC000101757154 554835763 /nfs/dbraw/zinc/83/57/63/554835763.db2.gz DNHWBGPHVPPWAQ-UHFFFAOYSA-N 0 0 566.514 5.384 50 30 KKEARN CCCCCCCCC1(CCCCCCCC)c2cc(-c3cccs3)ccc2-c2ccc(-c3cccs3)cc21 ZINC000101772706 554837614 /nfs/dbraw/zinc/83/76/14/554837614.db2.gz HGAWLLXSUXWDFN-UHFFFAOYSA-N 0 0 554.909 12.911 50 30 KKEARN COc1cc(Br)cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000101855724 554843606 /nfs/dbraw/zinc/84/36/06/554843606.db2.gz MLIGBCKOBCSVCV-LKDLRLLFSA-N 0 0 509.425 5.836 50 30 KKEARN CCCCCCCCCCCCCCCCNC(=O)c1cc(OCCOCCO)c2ccccc2c1O ZINC000101904922 554848363 /nfs/dbraw/zinc/84/83/63/554848363.db2.gz CKSLVGVAULEYDY-UHFFFAOYSA-N 0 0 515.735 7.144 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]23)cc1 ZINC000101909079 554849134 /nfs/dbraw/zinc/84/91/34/554849134.db2.gz QEYZTSBBFRRISY-GPZXWDIKSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3N2)cc1OC ZINC000101958254 554853357 /nfs/dbraw/zinc/85/33/57/554853357.db2.gz PWNONGKAAGCGHV-SRMJIJMDSA-N 0 0 545.587 5.871 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000102051011 554871186 /nfs/dbraw/zinc/87/11/86/554871186.db2.gz BHQURDSBWVRBDD-IADCTJSHSA-N 0 0 545.664 6.764 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102051701 554871404 /nfs/dbraw/zinc/87/14/04/554871404.db2.gz BTIOSNAEMIVIJM-IIMAJNMQSA-N 0 0 568.630 5.307 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc(OC)c1OC ZINC000102051686 554871411 /nfs/dbraw/zinc/87/14/11/554871411.db2.gz RKOUFMYWFOYDAV-ONOMSOESSA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000102051855 554871457 /nfs/dbraw/zinc/87/14/57/554871457.db2.gz GITFAFDJDMMGTP-SLQAJWMNSA-N 0 0 586.486 6.624 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc(OC)c1OC ZINC000102051315 554871515 /nfs/dbraw/zinc/87/15/15/554871515.db2.gz UOWDGRGWKVKIKG-OLILMLBXSA-N 0 0 556.062 6.818 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000102051924 554871526 /nfs/dbraw/zinc/87/15/26/554871526.db2.gz OGCDCQAKQZHZTK-IIMAJNMQSA-N 0 0 568.630 5.307 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000102052813 554871994 /nfs/dbraw/zinc/87/19/94/554871994.db2.gz KRZXQJHRIMCNHK-GKVSMKOHSA-N 0 0 562.453 6.448 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076820 554875088 /nfs/dbraw/zinc/87/50/88/554875088.db2.gz VLQNBEZUFZVMMW-DFXXOVSGSA-N 0 0 570.667 6.427 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076781 554875150 /nfs/dbraw/zinc/87/51/50/554875150.db2.gz HGXYRFXDNVVVOH-IQKFOVTFSA-N 0 0 584.694 6.736 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076762 554875168 /nfs/dbraw/zinc/87/51/68/554875168.db2.gz HINXIMGUQRQBTO-DFXXOVSGSA-N 0 0 513.590 5.505 50 30 KKEARN O=[N+]([O-])c1cccc(/C=N\c2ccc(-c3nnc(-c4ccc(/N=C\c5cccc([N+](=O)[O-])c5)cc4)o3)cc2)c1 ZINC000102110257 554882336 /nfs/dbraw/zinc/88/23/36/554882336.db2.gz ARTGIJYTYZWSOG-LZUTUTKMSA-N 0 0 518.489 6.721 50 30 KKEARN CCCCCCCCCCCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000102112858 554882916 /nfs/dbraw/zinc/88/29/16/554882916.db2.gz RGVATEQXKGDQLJ-UHFFFAOYSA-N 0 0 604.616 8.798 50 30 KKEARN O=C(Nc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1)c1ccco1 ZINC000102131366 554885483 /nfs/dbraw/zinc/88/54/83/554885483.db2.gz UFMJYZOXJIFQAG-HMAPJEAMSA-N 0 0 523.567 5.219 50 30 KKEARN N[P@@](=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc1ccccc1 ZINC000102141894 554888665 /nfs/dbraw/zinc/88/86/65/554888665.db2.gz SIMOKGGNPKIWBK-WJOKGBTCSA-N 0 0 505.167 5.888 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(CCc3ccccc3)C1=O)S2 ZINC000102143647 554888946 /nfs/dbraw/zinc/88/89/46/554888946.db2.gz UUBRTLPVPWSPAG-XTUVAWEBSA-N 0 0 523.683 7.065 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(Br)c3)N(CCc3ccccc3)C1=O)S2 ZINC000102145112 554889306 /nfs/dbraw/zinc/88/93/06/554889306.db2.gz LPMJAXJROYRGFB-CNPBBGJZSA-N 0 0 552.519 6.675 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168914 554890919 /nfs/dbraw/zinc/89/09/19/554890919.db2.gz HNPJSUSXEXTXKE-TXTDGAROSA-N 0 0 512.650 6.344 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175173 554891657 /nfs/dbraw/zinc/89/16/57/554891657.db2.gz RARFDBCVNPMDLG-IUKMQXEJSA-N 0 0 525.432 6.354 50 30 KKEARN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCOCC1 ZINC000102221923 554899379 /nfs/dbraw/zinc/89/93/79/554899379.db2.gz JEQHNZYICXDGKT-BOUAKLMYSA-N 0 0 505.650 5.947 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102257683 554904713 /nfs/dbraw/zinc/90/47/13/554904713.db2.gz ALXXBSYENOTPNR-NDEPHWFRSA-N 0 0 515.679 6.163 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(C)cc1C ZINC000102258667 554904945 /nfs/dbraw/zinc/90/49/45/554904945.db2.gz IJGPLKZZAOSNMP-HHHXNRCGSA-N 0 0 501.652 5.656 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000102274552 554906090 /nfs/dbraw/zinc/90/60/90/554906090.db2.gz QHFDXZQXXYIFSM-UHFFFAOYSA-N 0 0 540.487 5.403 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1csc(-c2cccc(Br)c2)n1 ZINC000102275414 554906326 /nfs/dbraw/zinc/90/63/26/554906326.db2.gz YAJOMHSCRJNRKD-UHFFFAOYSA-N 0 0 555.567 7.653 50 30 KKEARN CCCCCCCCCC/C(=N/N=C(/CCCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000102302302 554908645 /nfs/dbraw/zinc/90/86/45/554908645.db2.gz LCQKZVWUSKMSJT-JXPYRENWSA-N 0 0 548.856 10.959 50 30 KKEARN Cc1nc(NC(=S)NC(=O)c2cccc(Br)c2)sc1C(=O)/C=C/c1cccc(Br)c1 ZINC000102308634 554909487 /nfs/dbraw/zinc/90/94/87/554909487.db2.gz QDYUAZPBNLZIHG-CMDGGOBGSA-N 0 0 565.312 5.999 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000102335294 554912638 /nfs/dbraw/zinc/91/26/38/554912638.db2.gz BYFAUIUQQWPRQU-QHBODZGPSA-N 0 0 628.560 6.577 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000102336323 554912827 /nfs/dbraw/zinc/91/28/27/554912827.db2.gz KXRJSSADARZKCG-IKJLVAISSA-N 0 0 549.664 5.814 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102450352 554931533 /nfs/dbraw/zinc/93/15/33/554931533.db2.gz RLWDGICRUMATSI-POTDNYQPSA-N 0 0 577.851 6.025 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102482201 554937353 /nfs/dbraw/zinc/93/73/53/554937353.db2.gz ASIDBJZYENHVAF-QJGFIUGVSA-N 0 0 545.632 6.049 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102482884 554937395 /nfs/dbraw/zinc/93/73/95/554937395.db2.gz SMYPQYOMLIECNM-WYNCGZBVSA-N 0 0 528.605 5.214 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102483574 554937626 /nfs/dbraw/zinc/93/76/26/554937626.db2.gz KGHTVLIMUQJLJO-ZHHPLPSFSA-N 0 0 549.446 6.392 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102483851 554937688 /nfs/dbraw/zinc/93/76/88/554937688.db2.gz SOYUDVXGWWMOBB-HOGKFDNTSA-N 0 0 504.633 6.290 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102485522 554938245 /nfs/dbraw/zinc/93/82/45/554938245.db2.gz SNHPLTDNFDAGEC-IAMBOQNYSA-N 0 0 504.564 5.458 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102485436 554938325 /nfs/dbraw/zinc/93/83/25/554938325.db2.gz GCISIQMRDSUNFR-TXTDGAROSA-N 0 0 581.496 5.635 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102485444 554938346 /nfs/dbraw/zinc/93/83/46/554938346.db2.gz GCISIQMRDSUNFR-DFXXOVSGSA-N 0 0 581.496 5.635 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102491878 554939291 /nfs/dbraw/zinc/93/92/91/554939291.db2.gz AXPFYEWZKZTJND-SZYGQJGOSA-N 0 0 600.712 5.125 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102491868 554939378 /nfs/dbraw/zinc/93/93/78/554939378.db2.gz AXPFYEWZKZTJND-KFLIVHAJSA-N 0 0 600.712 5.125 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491855 554939427 /nfs/dbraw/zinc/93/94/27/554939427.db2.gz NOLZDABCOQMCLG-NXLSWJSLSA-N 0 0 546.601 5.347 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102495115 554940357 /nfs/dbraw/zinc/94/03/57/554940357.db2.gz WFCYLEYMDSWMGB-DHJMZRGKSA-N 0 0 526.658 6.846 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102498794 554941490 /nfs/dbraw/zinc/94/14/90/554941490.db2.gz SOVWXUHQTPCFSB-DFXXOVSGSA-N 0 0 559.449 6.898 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499324 554941892 /nfs/dbraw/zinc/94/18/92/554941892.db2.gz AYZRKHQRBMDQFR-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503347 554944009 /nfs/dbraw/zinc/94/40/09/554944009.db2.gz NTCXMFSNKCWINS-ZZIWUOEGSA-N 0 0 548.592 5.704 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102504750 554944369 /nfs/dbraw/zinc/94/43/69/554944369.db2.gz KGVPGJOWSHCUQJ-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507498 554944907 /nfs/dbraw/zinc/94/49/07/554944907.db2.gz XKWOVWVUTFEWJS-COUQNMRISA-N 0 0 533.005 5.979 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102507960 554945223 /nfs/dbraw/zinc/94/52/23/554945223.db2.gz HROKQQDCPQZYMV-MOBKVPTQSA-N 0 0 500.382 5.101 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102513158 554946980 /nfs/dbraw/zinc/94/69/80/554946980.db2.gz PEKOSTQMVCLJQZ-DZTJFIFISA-N 0 0 513.590 5.429 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102515017 554947624 /nfs/dbraw/zinc/94/76/24/554947624.db2.gz FSIPXBWSDATHEI-NPJIAGGLSA-N 0 0 525.432 6.498 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1OC ZINC000102514504 554947640 /nfs/dbraw/zinc/94/76/40/554947640.db2.gz FMPNKBXCSZWBOU-MIOXIQPJSA-N 0 0 545.632 5.440 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102515680 554947969 /nfs/dbraw/zinc/94/79/69/554947969.db2.gz CWOLWVBQOAVROD-ZZIWUOEGSA-N 0 0 514.603 5.865 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F ZINC000102517715 554948778 /nfs/dbraw/zinc/94/87/78/554948778.db2.gz OTDFZIROVCZWGW-QMMFTLRZSA-N 0 0 600.613 9.491 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102521592 554949638 /nfs/dbraw/zinc/94/96/38/554949638.db2.gz GYXMAQUDPLMOLY-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524402 554951134 /nfs/dbraw/zinc/95/11/34/554951134.db2.gz FYMLMCAZJKFKBA-IUKMQXEJSA-N 0 0 570.623 5.974 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102528079 554952721 /nfs/dbraw/zinc/95/27/21/554952721.db2.gz ZDXCHCNXIAKOEM-IUKMQXEJSA-N 0 0 514.603 6.028 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102532469 554954359 /nfs/dbraw/zinc/95/43/59/554954359.db2.gz ZMJWDWWDHBXDTB-HOGKFDNTSA-N 0 0 544.833 5.210 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102533596 554954832 /nfs/dbraw/zinc/95/48/32/554954832.db2.gz IZKBPPGLCPMLBM-NSOCNUKWSA-N 0 0 517.578 5.412 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102535453 554955385 /nfs/dbraw/zinc/95/53/85/554955385.db2.gz KYZBGBZPQQZZMD-DFXXOVSGSA-N 0 0 561.631 5.058 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102537069 554955927 /nfs/dbraw/zinc/95/59/27/554955927.db2.gz NMFSFGDIUDVWTE-DFXXOVSGSA-N 0 0 506.558 5.813 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)C=Cc1ccccc1 ZINC000102538558 554956523 /nfs/dbraw/zinc/95/65/23/554956523.db2.gz JRXMEKUHXKDWEB-XTZYZTJQSA-N 0 0 552.324 5.382 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102540897 554957434 /nfs/dbraw/zinc/95/74/34/554957434.db2.gz KAVDMLRTYUTWSR-YVFJIHQOSA-N 0 0 592.733 5.122 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102544958 554958793 /nfs/dbraw/zinc/95/87/93/554958793.db2.gz SKTQMKMYCHQCCF-SZYGQJGOSA-N 0 0 577.633 5.710 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546491 554959345 /nfs/dbraw/zinc/95/93/45/554959345.db2.gz IYHXMZSUDCZHGI-SBXHHDGASA-N 0 0 565.047 6.164 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102547367 554959994 /nfs/dbraw/zinc/95/99/94/554959994.db2.gz YQGVPOXGPYWRII-DHJMZRGKSA-N 0 0 574.655 5.882 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102550173 554961271 /nfs/dbraw/zinc/96/12/71/554961271.db2.gz XXCKYHABQAHDNN-PDZZUNKHSA-N 0 0 586.666 6.052 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102550165 554961285 /nfs/dbraw/zinc/96/12/85/554961285.db2.gz XXCKYHABQAHDNN-JOMJOIQHSA-N 0 0 586.666 6.052 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102549926 554961301 /nfs/dbraw/zinc/96/13/01/554961301.db2.gz DTHIODGYPLTDIV-FLJNSMSWSA-N 0 0 600.693 6.442 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102550007 554961323 /nfs/dbraw/zinc/96/13/23/554961323.db2.gz RHGCYTDVJKCSHW-IUKMQXEJSA-N 0 0 576.627 5.274 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102551881 554962491 /nfs/dbraw/zinc/96/24/91/554962491.db2.gz LNHZPCFIJGPVSW-WYNCGZBVSA-N 0 0 554.668 6.733 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102553808 554963396 /nfs/dbraw/zinc/96/33/96/554963396.db2.gz UVZJCMZPIMCJNB-AIKCTZLLSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102557462 554965257 /nfs/dbraw/zinc/96/52/57/554965257.db2.gz BXBOPXKYVOKMOI-QOISPNJLSA-N 0 0 525.645 6.243 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102558223 554965689 /nfs/dbraw/zinc/96/56/89/554965689.db2.gz HAHPEXHKRBPKDI-XXAHXYPMSA-N 0 0 628.747 7.222 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102560497 554967510 /nfs/dbraw/zinc/96/75/10/554967510.db2.gz XHDKUQWGJSGNFG-IQKFOVTFSA-N 0 0 584.694 6.880 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102560354 554967535 /nfs/dbraw/zinc/96/75/35/554967535.db2.gz DGHFKCVJCFLMKK-SHNFKWPTSA-N 0 0 584.694 6.660 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000102561206 554968266 /nfs/dbraw/zinc/96/82/66/554968266.db2.gz LDRGPWZXXUGKHN-QMMFTLRZSA-N 0 0 556.162 9.382 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102569638 554970288 /nfs/dbraw/zinc/97/02/88/554970288.db2.gz AVHYVSJRHSXRKN-CKXNDDTFSA-N 0 0 574.630 6.183 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102578594 554971805 /nfs/dbraw/zinc/97/18/05/554971805.db2.gz LJAHZAUTEZQPBL-ZDZPXDOOSA-N 0 0 558.612 5.359 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000102586096 554973192 /nfs/dbraw/zinc/97/31/92/554973192.db2.gz LAEVDSQBUHLKGT-VEZPTTSMSA-N 0 0 521.717 8.729 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102594674 554975659 /nfs/dbraw/zinc/97/56/59/554975659.db2.gz LFRPZBAZTLZEQP-XCSSDTEYSA-N 0 0 524.598 5.672 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102603843 554978114 /nfs/dbraw/zinc/97/81/14/554978114.db2.gz JSYGJJPIIMUTJU-WNQPQFFOSA-N 0 0 560.672 6.173 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606130 554978706 /nfs/dbraw/zinc/97/87/06/554978706.db2.gz WDJFNRFVGKJLCP-OWJWWREXSA-N 0 0 535.622 5.140 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606095 554978767 /nfs/dbraw/zinc/97/87/67/554978767.db2.gz USXVVIXRXQXFSV-IVCQMTBJSA-N 0 0 549.649 5.530 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102611787 554981665 /nfs/dbraw/zinc/98/16/65/554981665.db2.gz YJDFPBYARIURRS-ONQGDUAMSA-N 0 0 514.578 5.044 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4cc5ccccc5s4)CC3)cc2=O)cc1 ZINC000102612044 554981685 /nfs/dbraw/zinc/98/16/85/554981685.db2.gz PTCGZLHTFVXEFR-UHFFFAOYSA-N 0 0 561.663 5.930 50 30 KKEARN Cc1ccc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)c(F)c1F ZINC000102611800 554981688 /nfs/dbraw/zinc/98/16/88/554981688.db2.gz BUPGUSPMJCJWAC-UHFFFAOYSA-N 0 0 555.581 5.302 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000102620161 554986552 /nfs/dbraw/zinc/98/65/52/554986552.db2.gz AJQBISYDSXYVBG-UHFFFAOYSA-N 0 0 612.448 8.664 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102620262 554986592 /nfs/dbraw/zinc/98/65/92/554986592.db2.gz PHIBLTKXJSFJQB-UJWLLDLUSA-N 0 0 542.613 5.653 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102622246 554987398 /nfs/dbraw/zinc/98/73/98/554987398.db2.gz WPZQWTYEYPJIMH-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000102644641 554991670 /nfs/dbraw/zinc/99/16/70/554991670.db2.gz NSOAVZRCCLGUQM-HZHRSRAPSA-N 0 0 537.996 5.920 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102645474 554991956 /nfs/dbraw/zinc/99/19/56/554991956.db2.gz PEKOSTQMVCLJQZ-VMFRQMAUSA-N 0 0 513.590 5.429 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)n(Cc2ccccc2)c(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000102646744 554992895 /nfs/dbraw/zinc/99/28/95/554992895.db2.gz NDEKHBHALJZBMY-QNHWSJEBSA-N 0 0 578.676 7.411 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102649707 554995115 /nfs/dbraw/zinc/99/51/15/554995115.db2.gz KAVDMLRTYUTWSR-MXGWOCHPSA-N 0 0 592.733 5.122 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102650040 554995273 /nfs/dbraw/zinc/99/52/73/554995273.db2.gz FTRJYXWMXGRAKY-DNNDWWBDSA-N 0 0 545.632 6.193 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651759 554996106 /nfs/dbraw/zinc/99/61/06/554996106.db2.gz RVHBXHZTVNQCNK-CZNAVJSXSA-N 0 0 558.612 5.491 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102652229 554996515 /nfs/dbraw/zinc/99/65/15/554996515.db2.gz GBZCFLCEYJTHQB-HTUFKCTLSA-N 0 0 526.614 5.817 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102652917 554996926 /nfs/dbraw/zinc/99/69/26/554996926.db2.gz GDEFPYYRNZMRIY-RXDXAXPSSA-N 0 0 554.668 6.608 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102653467 554997098 /nfs/dbraw/zinc/99/70/98/554997098.db2.gz DHXKNXVICQBAHG-ONQGDUAMSA-N 0 0 598.677 6.151 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102653934 554997437 /nfs/dbraw/zinc/99/74/37/554997437.db2.gz PLMMJNOPBRXDEX-XKNZNLGKSA-N 0 0 570.667 6.434 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102653670 554997499 /nfs/dbraw/zinc/99/74/99/554997499.db2.gz BOOHOOQDZFWIQN-XKNZNLGKSA-N 0 0 589.113 7.468 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102655459 554998214 /nfs/dbraw/zinc/99/82/14/554998214.db2.gz HEBCWFCQRZLVNH-LOOKCOSASA-N 0 0 554.668 6.733 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102655748 554998685 /nfs/dbraw/zinc/99/86/85/554998685.db2.gz ASSWTIKYSWKHEJ-WKUSSTJHSA-N 0 0 583.666 5.774 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102657976 554999626 /nfs/dbraw/zinc/99/96/26/554999626.db2.gz NJBLRTBZKKKBCY-WKUSSTJHSA-N 0 0 570.667 6.434 50 30 KKEARN CCOC(=O)c1c(/N=C\c2cc(Br)ccc2OC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000102658845 554999810 /nfs/dbraw/zinc/99/98/10/554999810.db2.gz GTWMCSVMRFTCAU-CAQPMQTCSA-N 0 0 574.496 7.813 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102660070 555000092 /nfs/dbraw/zinc/00/00/92/555000092.db2.gz JNLZAFHFFATULK-NYFCFKJUSA-N 0 0 578.621 7.177 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102661698 555000780 /nfs/dbraw/zinc/00/07/80/555000780.db2.gz LJAHZAUTEZQPBL-FZIUWASMSA-N 0 0 558.612 5.359 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000102666927 555001682 /nfs/dbraw/zinc/00/16/82/555001682.db2.gz AMMJLIUWDRNKPF-DWRITZFJSA-N 0 0 592.891 6.261 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000102688613 555007539 /nfs/dbraw/zinc/00/75/39/555007539.db2.gz SCUKFAUXEOFIKS-XLJNKUFUSA-N 0 0 533.112 8.720 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102689794 555007727 /nfs/dbraw/zinc/00/77/27/555007727.db2.gz HINTWEKXFNTSDE-AHPONGEQSA-N 0 0 549.752 8.304 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102690327 555008062 /nfs/dbraw/zinc/00/80/62/555008062.db2.gz XNRNCESFGFCBIM-NXLSWJSLSA-N 0 0 535.021 6.156 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102693128 555008911 /nfs/dbraw/zinc/00/89/11/555008911.db2.gz NCAATMMQNWLDHR-MIOXIQPJSA-N 0 0 527.665 5.013 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102694650 555009800 /nfs/dbraw/zinc/00/98/00/555009800.db2.gz ZEMMNNBTMADIGX-NPJIAGGLSA-N 0 0 530.602 5.647 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102695133 555010618 /nfs/dbraw/zinc/01/06/18/555010618.db2.gz YHUHSVWULODUKF-ZZIWUOEGSA-N 0 0 528.586 5.335 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102697292 555011806 /nfs/dbraw/zinc/01/18/06/555011806.db2.gz XJFSBFPJDJNQQW-SBXHHDGASA-N 0 0 500.576 5.502 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102698262 555012179 /nfs/dbraw/zinc/01/21/79/555012179.db2.gz KEJYOAKKHMJGBW-DFXXOVSGSA-N 0 0 537.568 5.576 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102698856 555012411 /nfs/dbraw/zinc/01/24/11/555012411.db2.gz OTCVZTDYBABZES-ZZIWUOEGSA-N 0 0 502.567 5.996 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102698685 555012439 /nfs/dbraw/zinc/01/24/39/555012439.db2.gz IHGSLGPZHWPBTC-VEZPTTSMSA-N 0 0 521.613 6.912 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102699490 555012446 /nfs/dbraw/zinc/01/24/46/555012446.db2.gz MQBPSGPFEVWMAG-CZNAVJSXSA-N 0 0 505.998 5.686 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102700411 555012911 /nfs/dbraw/zinc/01/29/11/555012911.db2.gz XRGCSSNRFIZKFV-QMMFTLRZSA-N 0 0 537.612 6.578 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102703446 555013706 /nfs/dbraw/zinc/01/37/06/555013706.db2.gz CVYNUHWMEXFBQB-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102707232 555015359 /nfs/dbraw/zinc/01/53/59/555015359.db2.gz RQIKTIDMWOWPJX-DFXXOVSGSA-N 0 0 509.558 5.798 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102707067 555015380 /nfs/dbraw/zinc/01/53/80/555015380.db2.gz ZISSHDMUPPVREY-XXASTYAFSA-N 0 0 526.658 6.980 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102711731 555016698 /nfs/dbraw/zinc/01/66/98/555016698.db2.gz YIPYHMUQTPHCSU-AHPONGEQSA-N 0 0 549.671 6.406 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102711436 555016832 /nfs/dbraw/zinc/01/68/32/555016832.db2.gz ADDSRAUTBOAJBD-QKJBWNOYSA-N 0 0 514.603 5.947 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712477 555017090 /nfs/dbraw/zinc/01/70/90/555017090.db2.gz UGIYHJJUTUSNAH-NXLSWJSLSA-N 0 0 535.021 6.156 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102713196 555017629 /nfs/dbraw/zinc/01/76/29/555017629.db2.gz DGYUIARPRNASMM-TXTDGAROSA-N 0 0 509.558 5.798 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102715861 555018450 /nfs/dbraw/zinc/01/84/50/555018450.db2.gz PBPJTXSCKGITPX-CZNAVJSXSA-N 0 0 525.630 5.923 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102715294 555018639 /nfs/dbraw/zinc/01/86/39/555018639.db2.gz UAFHPNMZYBTWIY-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716852 555018808 /nfs/dbraw/zinc/01/88/08/555018808.db2.gz HHENIXOJZGCUNO-NPJIAGGLSA-N 0 0 533.049 6.927 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102716713 555018931 /nfs/dbraw/zinc/01/89/31/555018931.db2.gz DBRNEIWDCVIHGJ-CZNAVJSXSA-N 0 0 510.659 7.091 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102718765 555019683 /nfs/dbraw/zinc/01/96/83/555019683.db2.gz BEIAUMFHTPAQJS-SBXHHDGASA-N 0 0 528.586 5.335 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000102719908 555019852 /nfs/dbraw/zinc/01/98/52/555019852.db2.gz VHWMRZFNTWMMQW-QKJBWNOYSA-N 0 0 530.602 5.565 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102722208 555020400 /nfs/dbraw/zinc/02/04/00/555020400.db2.gz MKUNYHIAHIKVBM-IDZRBWSNSA-N 0 0 528.649 6.486 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102724126 555021070 /nfs/dbraw/zinc/02/10/70/555021070.db2.gz CEDHVXMBSQRJTQ-IDZRBWSNSA-N 0 0 512.650 6.785 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102725387 555021286 /nfs/dbraw/zinc/02/12/86/555021286.db2.gz KNIGUXYCCUAKRB-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102725578 555021551 /nfs/dbraw/zinc/02/15/51/555021551.db2.gz OPBLUBMGHBNEOS-UUALVTFQSA-N 0 0 501.579 5.041 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727314 555022259 /nfs/dbraw/zinc/02/22/59/555022259.db2.gz KDIYTGADGKAZIX-MOBKVPTQSA-N 0 0 506.605 5.564 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102727869 555022479 /nfs/dbraw/zinc/02/24/79/555022479.db2.gz HVLJUGAMUUKFGM-ZHHPLPSFSA-N 0 0 549.446 6.311 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102727654 555022529 /nfs/dbraw/zinc/02/25/29/555022529.db2.gz BFLOMYUUSDKEJM-MOBKVPTQSA-N 0 0 535.419 6.002 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1C ZINC000102728938 555023062 /nfs/dbraw/zinc/02/30/62/555023062.db2.gz GUHNSWCYYNTYHB-QKJBWNOYSA-N 0 0 514.603 5.865 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102729769 555023271 /nfs/dbraw/zinc/02/32/71/555023271.db2.gz WTAUAHWCVXPIRZ-ZHHPLPSFSA-N 0 0 549.446 6.256 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102732634 555024042 /nfs/dbraw/zinc/02/40/42/555024042.db2.gz KMILJVMZQVRHNO-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735337 555025222 /nfs/dbraw/zinc/02/52/22/555025222.db2.gz CUJXEWPWEASCPK-ZHHPLPSFSA-N 0 0 504.995 6.147 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735508 555025470 /nfs/dbraw/zinc/02/54/70/555025470.db2.gz SZBRRYZANGIISY-VSFGEHDGSA-N 0 0 602.712 7.442 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735452 555025564 /nfs/dbraw/zinc/02/55/64/555025564.db2.gz FRAWSLHRNZFFGO-BBHOXHGRSA-N 0 0 516.619 5.727 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735522 555025581 /nfs/dbraw/zinc/02/55/81/555025581.db2.gz QXCQUOWGXDSOLV-FPRSLYQBSA-N 0 0 580.662 6.183 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735561 555025816 /nfs/dbraw/zinc/02/58/16/555025816.db2.gz MVXYYBMZRJUPNX-VDGASQMCSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735580 555025821 /nfs/dbraw/zinc/02/58/21/555025821.db2.gz CQJMZSADGFEQTO-GBIFRDBCSA-N 0 0 595.076 7.692 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@H](C(=O)OCC)C3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102742751 555032606 /nfs/dbraw/zinc/03/26/06/555032606.db2.gz JOFJTIZXXWRMCJ-WNCULLNHSA-N 0 0 551.709 5.306 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N2[C@@H]1c1cc(C)ccc1C ZINC000102748544 555042830 /nfs/dbraw/zinc/04/28/30/555042830.db2.gz UAGAHRDPZYDDOT-HHHXNRCGSA-N 0 0 531.634 5.043 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770775 555058000 /nfs/dbraw/zinc/05/80/00/555058000.db2.gz XBCYGHQJRDOKSI-NMSSPVSYSA-N 0 0 512.393 5.025 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770930 555058538 /nfs/dbraw/zinc/05/85/38/555058538.db2.gz RLIBNWNQZBNIAR-HTUFKCTLSA-N 0 0 545.060 7.023 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102770915 555058640 /nfs/dbraw/zinc/05/86/40/555058640.db2.gz CLIPPIZVUZAKLZ-JVJOXMINSA-N 0 0 524.642 6.678 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102771373 555060384 /nfs/dbraw/zinc/06/03/84/555060384.db2.gz YEDFYLXKLLYYHG-KWBQTAPJSA-N 0 0 512.587 5.568 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800111 555072472 /nfs/dbraw/zinc/07/24/72/555072472.db2.gz ZBZISSIWUDRNDW-JBCNATCCSA-N 0 0 511.372 5.370 50 30 KKEARN N#C[C@@]12CN(c3ccc(Cl)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Cl)cc4)CN3C1=S)[C@H]2c1ccccc1Cl ZINC000102809383 555074222 /nfs/dbraw/zinc/07/42/22/555074222.db2.gz HHKBJABBAMJMRE-ZJGIAAPESA-N 0 0 591.955 6.747 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)c(-c3ccncc3)c2C#N)c(C)c1 ZINC000102812621 555075321 /nfs/dbraw/zinc/07/53/21/555075321.db2.gz NLVCUAIGIXYXHA-UHFFFAOYSA-N 0 0 542.064 6.577 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCCCC)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000102837577 555080417 /nfs/dbraw/zinc/08/04/17/555080417.db2.gz OKUFTWYNVSLWHU-XIFFEERXSA-N 0 0 575.838 9.175 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102856725 555087959 /nfs/dbraw/zinc/08/79/59/555087959.db2.gz ZRLANRKKPIYIMK-SBXHHDGASA-N 0 0 533.049 6.882 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102857243 555088584 /nfs/dbraw/zinc/08/85/84/555088584.db2.gz GYAGDXOPGFNCFG-UVDRRRQGSA-N 0 0 529.574 5.846 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102857725 555088778 /nfs/dbraw/zinc/08/87/78/555088778.db2.gz AULHMKWAYYUZSM-QBCYBHDASA-N 0 0 543.616 5.056 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000102857567 555088790 /nfs/dbraw/zinc/08/87/90/555088790.db2.gz XTIMGDZFAIIJQR-NPJIAGGLSA-N 0 0 501.539 5.099 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000102857689 555088793 /nfs/dbraw/zinc/08/87/93/555088793.db2.gz HAVLFYOPVNKRDV-QNLPTKCRSA-N 0 0 507.609 7.828 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102859258 555089691 /nfs/dbraw/zinc/08/96/91/555089691.db2.gz YSGAQSHBVFVYGW-UTNKIGIFSA-N 0 0 589.688 6.652 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000102859822 555090017 /nfs/dbraw/zinc/09/00/17/555090017.db2.gz ZFYJOCYXDMMKPH-VEZPTTSMSA-N 0 0 548.724 8.498 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102859925 555090373 /nfs/dbraw/zinc/09/03/73/555090373.db2.gz CCSGCFYOESSVRS-CJJGVWJISA-N 0 0 512.631 6.753 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000102861699 555092009 /nfs/dbraw/zinc/09/20/09/555092009.db2.gz KCBAJBSCAGFSIB-NSYGIPOTSA-N 0 0 548.458 7.957 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102863034 555092909 /nfs/dbraw/zinc/09/29/09/555092909.db2.gz MEICGQABHIGMKF-SBXHHDGASA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102862995 555092949 /nfs/dbraw/zinc/09/29/49/555092949.db2.gz JXSWATBLUHLBDL-MOBKVPTQSA-N 0 0 544.833 5.210 50 30 KKEARN Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863489 555093323 /nfs/dbraw/zinc/09/33/23/555093323.db2.gz IHVUAAVUOFBFDF-IAMBOQNYSA-N 0 0 519.966 6.101 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102864222 555093818 /nfs/dbraw/zinc/09/38/18/555093818.db2.gz CHJWHIKBQHEMLN-QKJBWNOYSA-N 0 0 515.610 5.123 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864647 555094229 /nfs/dbraw/zinc/09/42/29/555094229.db2.gz INGHHEZUPMHRJC-IAMBOQNYSA-N 0 0 502.548 5.227 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102864987 555094422 /nfs/dbraw/zinc/09/44/22/555094422.db2.gz VLGWKRFZQZREIK-AYWGPLOBSA-N 0 0 548.661 5.869 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102864983 555094586 /nfs/dbraw/zinc/09/45/86/555094586.db2.gz VLGWKRFZQZREIK-ZHHPLPSFSA-N 0 0 548.661 5.869 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866142 555095517 /nfs/dbraw/zinc/09/55/17/555095517.db2.gz UZBHFRMYQROCAF-QBTYMPIYSA-N 0 0 556.640 6.043 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866850 555096086 /nfs/dbraw/zinc/09/60/86/555096086.db2.gz JFNDIMOFRWZJEN-JFTLGNCFSA-N 0 0 528.586 5.269 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866875 555096408 /nfs/dbraw/zinc/09/64/08/555096408.db2.gz AHEMDIMHMSFVOL-SSELITHESA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866869 555096470 /nfs/dbraw/zinc/09/64/70/555096470.db2.gz AHEMDIMHMSFVOL-UJWLLDLUSA-N 0 0 542.613 5.653 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102868210 555097510 /nfs/dbraw/zinc/09/75/10/555097510.db2.gz GKZYXDKAQQHJPE-RJIUIVJKSA-N 0 0 577.806 8.915 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102867982 555097581 /nfs/dbraw/zinc/09/75/81/555097581.db2.gz SSGCWRQENYDSHZ-UUALVTFQSA-N 0 0 558.656 6.291 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102868645 555097895 /nfs/dbraw/zinc/09/78/95/555097895.db2.gz NWJIVEYCBFEERE-GSYBUTJLSA-N 0 0 541.644 5.862 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000102868547 555097926 /nfs/dbraw/zinc/09/79/26/555097926.db2.gz JKDKXOHPUDDMIF-NLDZOOGBSA-N 0 0 567.513 7.784 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868471 555097997 /nfs/dbraw/zinc/09/79/97/555097997.db2.gz UXUCTMCKQMZBIH-GMBUILNLSA-N 0 0 607.482 6.031 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102869041 555098583 /nfs/dbraw/zinc/09/85/83/555098583.db2.gz BPAZVRAFEKNBKS-WGGXKBPPSA-N 0 0 536.584 5.305 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870178 555100471 /nfs/dbraw/zinc/10/04/71/555100471.db2.gz XVIZRDQQAZZLMS-QMWVLESOSA-N 0 0 618.711 7.224 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871302 555101870 /nfs/dbraw/zinc/10/18/70/555101870.db2.gz XJOPMKQSRQCJPX-CIKQMSCWSA-N 0 0 562.644 5.367 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102872509 555103234 /nfs/dbraw/zinc/10/32/34/555103234.db2.gz RYNNIQKWYFHBBY-MNOIWJKESA-N 0 0 511.618 5.853 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102872877 555103457 /nfs/dbraw/zinc/10/34/57/555103457.db2.gz POBAXTNDJDPFMN-IUKMQXEJSA-N 0 0 525.432 6.498 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873286 555103692 /nfs/dbraw/zinc/10/36/92/555103692.db2.gz LKYVNJIAFDSEGD-ZHHPLPSFSA-N 0 0 551.020 5.910 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873263 555103745 /nfs/dbraw/zinc/10/37/45/555103745.db2.gz JFZLRLPUTZHVFQ-NPJIAGGLSA-N 0 0 512.631 6.619 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102874652 555104850 /nfs/dbraw/zinc/10/48/50/555104850.db2.gz LWGOVKPVVNITFD-CZNAVJSXSA-N 0 0 561.506 5.625 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102874778 555104897 /nfs/dbraw/zinc/10/48/97/555104897.db2.gz DJPOTYNMWIMMHG-QKJBWNOYSA-N 0 0 517.050 7.316 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102876108 555105950 /nfs/dbraw/zinc/10/59/50/555105950.db2.gz YQQMNBCMLKIIPL-ONQGDUAMSA-N 0 0 516.594 5.064 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102876775 555106651 /nfs/dbraw/zinc/10/66/51/555106651.db2.gz LPTNFCINNYWTFO-ZHHPLPSFSA-N 0 0 504.995 6.283 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102879147 555108394 /nfs/dbraw/zinc/10/83/94/555108394.db2.gz POTPGKDNMWKDKM-AYWGPLOBSA-N 0 0 516.575 5.257 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102880584 555109485 /nfs/dbraw/zinc/10/94/85/555109485.db2.gz ZTKDYPKZXVINFX-ZHJYXLETSA-N 0 0 511.618 6.201 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882868 555111025 /nfs/dbraw/zinc/11/10/25/555111025.db2.gz NXAULRNGZPRPIC-NXLSWJSLSA-N 0 0 546.601 5.347 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102882772 555111112 /nfs/dbraw/zinc/11/11/12/555111112.db2.gz JWTAHHJVYCVJGQ-UUALVTFQSA-N 0 0 500.595 5.445 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884233 555112854 /nfs/dbraw/zinc/11/28/54/555112854.db2.gz AADVPSXFZKGIRT-WREUJOMVSA-N 0 0 618.711 7.142 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102884399 555113167 /nfs/dbraw/zinc/11/31/67/555113167.db2.gz OTXXBHSWGZPQHC-SLPYKNDMSA-N 0 0 600.693 6.498 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884510 555113566 /nfs/dbraw/zinc/11/35/66/555113566.db2.gz YIKQTLLLXBSNNU-MIOXIQPJSA-N 0 0 600.693 6.662 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884633 555113724 /nfs/dbraw/zinc/11/37/24/555113724.db2.gz NSPVVVDCIJVAGD-CZNAVJSXSA-N 0 0 556.640 6.000 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884617 555113799 /nfs/dbraw/zinc/11/37/99/555113799.db2.gz YFWOYGQNZBQIRY-ANCNPBKRSA-N 0 0 563.031 5.917 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884624 555113855 /nfs/dbraw/zinc/11/38/55/555113855.db2.gz DBHLQGAQTNWJOV-NSOCNUKWSA-N 0 0 620.724 6.011 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102885633 555115663 /nfs/dbraw/zinc/11/56/63/555115663.db2.gz NYKOSYMYXAKJEZ-DHJMZRGKSA-N 0 0 528.630 6.255 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102885631 555115838 /nfs/dbraw/zinc/11/58/38/555115838.db2.gz NYKOSYMYXAKJEZ-GAPOMRBKSA-N 0 0 528.630 6.255 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886681 555117339 /nfs/dbraw/zinc/11/73/39/555117339.db2.gz CKYDGXHMBNNJFI-WRPQUVRJSA-N 0 0 513.575 5.040 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887067 555117825 /nfs/dbraw/zinc/11/78/25/555117825.db2.gz JZJGRYSKRWGPNW-IZSGBISHSA-N 0 0 590.657 7.047 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887266 555118639 /nfs/dbraw/zinc/11/86/39/555118639.db2.gz CZDWUDHVZCYRSN-AYWGPLOBSA-N 0 0 518.978 5.656 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887502 555119530 /nfs/dbraw/zinc/11/95/30/555119530.db2.gz VUNABNJTMVLUIN-LLAWDOGUSA-N 0 0 540.641 6.207 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887568 555119547 /nfs/dbraw/zinc/11/95/47/555119547.db2.gz BCISEXAPTLXODK-SMOAUKQDSA-N 0 0 628.747 7.078 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000102887737 555119844 /nfs/dbraw/zinc/11/98/44/555119844.db2.gz JJPVBLYHLVSBHB-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102887792 555120214 /nfs/dbraw/zinc/12/02/14/555120214.db2.gz NBDGZFWZCKJWQA-UUALVTFQSA-N 0 0 582.678 6.450 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888688 555122120 /nfs/dbraw/zinc/12/21/20/555122120.db2.gz WRHWXEJMMNPUDF-ZDZPXDOOSA-N 0 0 588.638 5.280 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888789 555122208 /nfs/dbraw/zinc/12/22/08/555122208.db2.gz HUUQWLZHHRYXKK-IKZPYDRGSA-N 0 0 575.086 7.078 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102888898 555122508 /nfs/dbraw/zinc/12/25/08/555122508.db2.gz QEOOZWFBMALVEM-WGGXKBPPSA-N 0 0 522.601 5.855 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889271 555123171 /nfs/dbraw/zinc/12/31/71/555123171.db2.gz MHUWGQHKFKZRAO-ANCNPBKRSA-N 0 0 563.031 6.004 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102889336 555123505 /nfs/dbraw/zinc/12/35/05/555123505.db2.gz UNUYQWUPBJAYPZ-VEZPTTSMSA-N 0 0 534.612 5.990 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890128 555125055 /nfs/dbraw/zinc/12/50/55/555125055.db2.gz WVUJLQSISKMJIO-WKUSSTJHSA-N 0 0 568.695 6.942 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890282 555125285 /nfs/dbraw/zinc/12/52/85/555125285.db2.gz XNSCGMOJARMWEI-MRJHHRETSA-N 0 0 521.392 5.694 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890424 555125508 /nfs/dbraw/zinc/12/55/08/555125508.db2.gz AYNPCPBFCQURER-VSFGEHDGSA-N 0 0 626.775 7.686 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102890700 555125896 /nfs/dbraw/zinc/12/58/96/555125896.db2.gz JZKUSLNVGIFXFX-VEZPTTSMSA-N 0 0 533.628 5.657 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102891018 555126511 /nfs/dbraw/zinc/12/65/11/555126511.db2.gz UXSHLOMFHSHFCR-WGGXKBPPSA-N 0 0 537.616 5.291 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102891452 555127181 /nfs/dbraw/zinc/12/71/81/555127181.db2.gz CNZPIFYMDNJTKV-IKZPYDRGSA-N 0 0 554.668 6.552 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102891303 555127211 /nfs/dbraw/zinc/12/72/11/555127211.db2.gz QKLRINVSLZGETP-ZORLYMSLSA-N 0 0 568.198 9.252 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891642 555127411 /nfs/dbraw/zinc/12/74/11/555127411.db2.gz KNSZFCXTNBZHRW-RFAFYKRUSA-N 0 0 542.613 5.659 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102892299 555128363 /nfs/dbraw/zinc/12/83/63/555128363.db2.gz KDUYQVHBPUCGQU-QMMFTLRZSA-N 0 0 557.643 5.556 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893112 555129898 /nfs/dbraw/zinc/12/98/98/555129898.db2.gz WNAFSJGAXLMZIV-IOUQRVAPSA-N 0 0 590.698 6.147 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102893184 555130196 /nfs/dbraw/zinc/13/01/96/555130196.db2.gz GLETXCMCSXTTAP-STYUONPNSA-N 0 0 582.722 7.432 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893395 555130819 /nfs/dbraw/zinc/13/08/19/555130819.db2.gz KBJRXXREVJWEGP-ROBPHKHBSA-N 0 0 618.708 5.932 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102893777 555131570 /nfs/dbraw/zinc/13/15/70/555131570.db2.gz HCYKITXKKVQGDS-ZAOVDLIJSA-N 0 0 569.698 6.642 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102894922 555133154 /nfs/dbraw/zinc/13/31/54/555133154.db2.gz KEJLCTOIFWLGBW-GAPOMRBKSA-N 0 0 542.613 5.709 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102894924 555133244 /nfs/dbraw/zinc/13/32/44/555133244.db2.gz KEJLCTOIFWLGBW-DHJMZRGKSA-N 0 0 542.613 5.709 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102895290 555134145 /nfs/dbraw/zinc/13/41/45/555134145.db2.gz YUUPQSBWIQCXGB-MIOXIQPJSA-N 0 0 504.586 5.899 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102895878 555135283 /nfs/dbraw/zinc/13/52/83/555135283.db2.gz NOPDVBNUHHAJPZ-CZNAVJSXSA-N 0 0 560.628 5.656 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896161 555135673 /nfs/dbraw/zinc/13/56/73/555135673.db2.gz AWBHLLMJZTUOKZ-YZUJGMDRSA-N 0 0 614.720 6.832 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102898179 555138266 /nfs/dbraw/zinc/13/82/66/555138266.db2.gz PXVOAOIZUIXCAX-ZORLYMSLSA-N 0 0 547.607 5.701 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102899337 555139078 /nfs/dbraw/zinc/13/90/78/555139078.db2.gz YPBOISFCJDBTFU-RFRSNRLQSA-N 0 0 590.657 7.103 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102899672 555139390 /nfs/dbraw/zinc/13/93/90/555139390.db2.gz PPPNHNGLHRVRMV-AMKIGSDESA-N 0 0 510.615 6.117 50 30 KKEARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1C#N ZINC000102909601 555142508 /nfs/dbraw/zinc/14/25/08/555142508.db2.gz XOMPZVNSTPZUCD-HSZRJFAPSA-N 0 0 547.084 5.788 50 30 KKEARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000102914889 555143689 /nfs/dbraw/zinc/14/36/89/555143689.db2.gz RNWZMINHCYKYCF-UHFFFAOYSA-N 0 0 564.708 5.169 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(C)=Nc3nc(SCc4ccc(Cl)cc4)nn32)cc1 ZINC000102922441 555147332 /nfs/dbraw/zinc/14/73/32/555147332.db2.gz BMXDVIGZJRDIEW-DEOSSOPVSA-N 0 0 537.472 7.058 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102926402 555150912 /nfs/dbraw/zinc/15/09/12/555150912.db2.gz BUMXOSGYXHBSSE-ONQGDUAMSA-N 0 0 516.594 5.064 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102927780 555152390 /nfs/dbraw/zinc/15/23/90/555152390.db2.gz ICZHOIGMAAHRNM-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN COc1cc(SC)ccc1C(=O)N(C(=O)c1ccc(SC)cc1OC)c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000102928250 555153500 /nfs/dbraw/zinc/15/35/00/555153500.db2.gz UHJAFWPCQHCSPL-UHFFFAOYSA-N 0 0 600.674 7.619 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102929276 555155009 /nfs/dbraw/zinc/15/50/09/555155009.db2.gz FRPLFMHWVWRSEH-OGHRCCBNSA-N 0 0 564.432 5.151 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102929819 555155800 /nfs/dbraw/zinc/15/58/00/555155800.db2.gz UPFIRFUEHBPYDT-CZNAVJSXSA-N 0 0 501.627 5.481 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102929803 555155848 /nfs/dbraw/zinc/15/58/48/555155848.db2.gz PRRDEDAHGJPFTO-ONQGDUAMSA-N 0 0 516.594 5.208 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929864 555156223 /nfs/dbraw/zinc/15/62/23/555156223.db2.gz FTUMCWGDCNYJDC-SBXHHDGASA-N 0 0 528.586 5.416 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCCc3ccccc3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102931452 555158870 /nfs/dbraw/zinc/15/88/70/555158870.db2.gz ONWPSUASEUBBDV-WJOKGBTCSA-N 0 0 596.602 5.375 50 30 KKEARN COC(=O)c1ccc(COc2ccc([C@H]3c4c(C)nn(-c5nc6ccccc6s5)c4NC4=C3C(=O)CCC4)cc2)cc1 ZINC000102935351 555162797 /nfs/dbraw/zinc/16/27/97/555162797.db2.gz OMKRIRIVGJAQDL-LJAQVGFWSA-N 0 0 576.678 6.721 50 30 KKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1cccs1)C1=C(CCCC1=O)N2 ZINC000102935541 555162913 /nfs/dbraw/zinc/16/29/13/555162913.db2.gz ZWUJAMGJWYLIAP-MHZLTWQESA-N 0 0 571.628 7.678 50 30 KKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102938496 555167008 /nfs/dbraw/zinc/16/70/08/555167008.db2.gz ISXHOMODAFREKF-NDEPHWFRSA-N 0 0 532.669 7.783 50 30 KKEARN O=S(=O)(/N=C(/N=C1C=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C1)c1ccccc1)c1ccccc1 ZINC000102939792 555168246 /nfs/dbraw/zinc/16/82/46/555168246.db2.gz QDNNPLHULOHOSJ-DZHJNXGQSA-N 0 0 592.702 5.666 50 30 KKEARN COC(=O)Nc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000102939751 555168348 /nfs/dbraw/zinc/16/83/48/555168348.db2.gz VIQJRCPBNRHDGY-UHFFFAOYSA-N 0 0 545.298 5.012 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940322 555168824 /nfs/dbraw/zinc/16/88/24/555168824.db2.gz YPLCXMRKMBMEFI-KDXMTYKHSA-N 0 0 615.404 5.259 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940382 555168872 /nfs/dbraw/zinc/16/88/72/555168872.db2.gz IGIAUVVWXKUNSI-BHVANESWSA-N 0 0 542.411 5.756 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940378 555168993 /nfs/dbraw/zinc/16/89/93/555168993.db2.gz IGIAUVVWXKUNSI-PSXMRANNSA-N 0 0 542.411 5.756 50 30 KKEARN N#Cc1c(Nc2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102940644 555169452 /nfs/dbraw/zinc/16/94/52/555169452.db2.gz XFDLKUWKFCOIHC-UHFFFAOYSA-N 0 0 561.689 8.631 50 30 KKEARN O=C(O/C(=C(\C(=O)c1ccccc1)c1nc2ccccc2n1C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000102946598 555171858 /nfs/dbraw/zinc/17/18/58/555171858.db2.gz TTZFFQLXNVCTBW-QOSDPKFLSA-N 0 0 548.598 7.333 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCCC)cc2)cc1 ZINC000102973109 555183117 /nfs/dbraw/zinc/18/31/17/555183117.db2.gz WWSOKLWGOACFKZ-VEEOACQBSA-N 0 0 561.520 8.215 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1 ZINC000102991432 555192446 /nfs/dbraw/zinc/19/24/46/555192446.db2.gz BNGHAXRBJUODOF-PMERELPUSA-N 0 0 575.577 8.057 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccccc2C)C(=O)CN(CCC(C)C)S(=O)(=O)CCC)CC1 ZINC000102991958 555192698 /nfs/dbraw/zinc/19/26/98/555192698.db2.gz VZCPMNNIHKFBKI-UHFFFAOYSA-N 0 0 563.849 5.763 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1 ZINC000102992008 555192956 /nfs/dbraw/zinc/19/29/56/555192956.db2.gz FJLAANCFNCFAAV-UHFFFAOYSA-N 0 0 585.811 5.012 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000102996165 555195837 /nfs/dbraw/zinc/19/58/37/555195837.db2.gz LLAKSFSLKQISBF-JHOBJCJYSA-N 0 0 525.759 5.514 50 30 KKEARN CCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102996303 555195907 /nfs/dbraw/zinc/19/59/07/555195907.db2.gz KAPNZXXNXXOLGP-OAQYLSRUSA-N 0 0 508.644 5.350 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CCCCC1 ZINC000102997579 555197036 /nfs/dbraw/zinc/19/70/36/555197036.db2.gz VHYUQHQUVTZZFX-UHFFFAOYSA-N 0 0 510.788 7.887 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C1CC1 ZINC000102997533 555197040 /nfs/dbraw/zinc/19/70/40/555197040.db2.gz SQNWTFOTYFNLRB-UHFFFAOYSA-N 0 0 531.741 6.880 50 30 KKEARN CCCCCCCCCC(=O)N1CCN(c2nc(CCC(C)C)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102998016 555197189 /nfs/dbraw/zinc/19/71/89/555197189.db2.gz CLKYTVGHGRZLMI-UHFFFAOYSA-N 0 0 539.168 6.847 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(OC)c2)s1 ZINC000102998182 555197435 /nfs/dbraw/zinc/19/74/35/555197435.db2.gz IYWFWCDGLSCCMV-DEOSSOPVSA-N 0 0 508.688 6.020 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@H](C)CC ZINC000102998171 555197464 /nfs/dbraw/zinc/19/74/64/555197464.db2.gz IVISPJKNNJWORQ-DYESRHJHSA-N 0 0 523.541 6.578 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccccc3)ccc2OC)CC1 ZINC000102998951 555198218 /nfs/dbraw/zinc/19/82/18/555198218.db2.gz SNMUTVTUEKKPLQ-UHFFFAOYSA-N 0 0 557.801 5.738 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000103002833 555201959 /nfs/dbraw/zinc/20/19/59/555201959.db2.gz TXMAZWHALCGUEL-ZORLYMSLSA-N 0 0 533.753 8.598 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010669 555205984 /nfs/dbraw/zinc/20/59/84/555205984.db2.gz UWJOIWMHWFMGHW-ICDZXHCJSA-N 0 0 577.464 5.740 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011271 555206290 /nfs/dbraw/zinc/20/62/90/555206290.db2.gz PDZSQQKWVWWDPD-ZIVSUXNBSA-N 0 0 562.515 6.549 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015069 555208661 /nfs/dbraw/zinc/20/86/61/555208661.db2.gz QCCSMRCOUPNMKQ-BUUDZMLXSA-N 0 0 578.637 5.554 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103015508 555208947 /nfs/dbraw/zinc/20/89/47/555208947.db2.gz NOSSBDDYNBAHAN-ZFJSRUIDSA-N 0 0 583.493 5.802 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103016017 555209385 /nfs/dbraw/zinc/20/93/85/555209385.db2.gz PETXMXIXQPSQJR-ZYKLXPEUSA-N 0 0 596.627 5.693 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103017057 555210007 /nfs/dbraw/zinc/21/00/07/555210007.db2.gz ZUGRYEGIWRCDAW-VXWZWFMZSA-N 0 0 617.045 6.167 50 30 KKEARN C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000103019688 555211240 /nfs/dbraw/zinc/21/12/40/555211240.db2.gz SGZHOVHORNJAMA-UHFFFAOYSA-N 0 0 595.746 6.552 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103021898 555213108 /nfs/dbraw/zinc/21/31/08/555213108.db2.gz QJAFTRLYXVEQFF-JVAFGIKQSA-N 0 0 537.584 5.745 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000103022976 555213877 /nfs/dbraw/zinc/21/38/77/555213877.db2.gz VQAYHCKYFDZTCL-MVYHEMRASA-N 0 0 554.495 7.074 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2nc(SC)ns2)ccc1Cl ZINC000103046233 555228362 /nfs/dbraw/zinc/22/83/62/555228362.db2.gz PRGAWFHGNWUHMD-UHFFFAOYSA-N 0 0 549.021 5.566 50 30 KKEARN N#Cc1cc(C(=O)c2ccccc2OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cn(C2CCCCC2)c1=O ZINC000103051978 555234139 /nfs/dbraw/zinc/23/41/39/555234139.db2.gz CBBBIAPJDIMMGL-UHFFFAOYSA-N 0 0 539.510 5.372 50 30 KKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1 ZINC000103065600 555246105 /nfs/dbraw/zinc/24/61/05/555246105.db2.gz PPVQNFRWJNRKOV-UUWRZZSWSA-N 0 0 527.753 7.991 50 30 KKEARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103066924 555247118 /nfs/dbraw/zinc/24/71/18/555247118.db2.gz CECKGINSOPFCDK-UHFFFAOYSA-N 0 0 559.482 6.929 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCOC)Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000103069030 555249643 /nfs/dbraw/zinc/24/96/43/555249643.db2.gz CCCYCXSYKVPPDJ-UHFFFAOYSA-N 0 0 571.702 7.369 50 30 KKEARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)OCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 ZINC000103070610 555251309 /nfs/dbraw/zinc/25/13/09/555251309.db2.gz NLFKBFARLSIHDA-UHFFFAOYSA-N 0 0 563.825 5.075 50 30 KKEARN C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000103071963 555252085 /nfs/dbraw/zinc/25/20/85/555252085.db2.gz TWIHEBATAKXRHC-RUZDIDTESA-N 0 0 560.123 7.145 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)ccc1Cl ZINC000103078310 555256993 /nfs/dbraw/zinc/25/69/93/555256993.db2.gz WVKCWJMFTNVSQD-UHFFFAOYSA-N 0 0 593.485 5.536 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2 ZINC000103083977 555262799 /nfs/dbraw/zinc/26/27/99/555262799.db2.gz BIUSUPICAVWFQZ-JXAWBTAJSA-N 0 0 539.613 5.779 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000103084211 555263159 /nfs/dbraw/zinc/26/31/59/555263159.db2.gz APIFMIZNHJTGHE-UHFFFAOYSA-N 0 0 560.027 6.338 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000103105169 555282539 /nfs/dbraw/zinc/28/25/39/555282539.db2.gz WXFRTQLZBGAHCD-RJGXRXQPSA-N 0 0 524.429 5.856 50 30 KKEARN C=CCn1c(SCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)nc2scc(-c3cccs3)c2c1=O ZINC000103115891 555288005 /nfs/dbraw/zinc/28/80/05/555288005.db2.gz MRZLFZDQLYFRNT-UHFFFAOYSA-N 0 0 571.775 5.285 50 30 KKEARN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]12 ZINC000103117639 555288915 /nfs/dbraw/zinc/28/89/15/555288915.db2.gz WARQXEKFVMNFDR-VBHQRPIPSA-N 0 0 546.692 6.604 50 30 KKEARN CCCCCCCCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000103124542 555292275 /nfs/dbraw/zinc/29/22/75/555292275.db2.gz MOQYTEALIOOILS-UHFFFAOYSA-N 0 0 563.192 8.881 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000103124559 555292317 /nfs/dbraw/zinc/29/23/17/555292317.db2.gz QSWATLJAFYDQTQ-UHFFFAOYSA-N 0 0 500.068 5.789 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2[C@H](C)CC)c1 ZINC000103139372 555309285 /nfs/dbraw/zinc/30/92/85/555309285.db2.gz UZDJRSWMEKTCSW-HXUWFJFHSA-N 0 0 541.069 6.030 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000103143700 555311933 /nfs/dbraw/zinc/31/19/33/555311933.db2.gz SEUAVXIIPSFEFK-ZHHPLPSFSA-N 0 0 506.426 5.939 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1 ZINC000103144110 555312172 /nfs/dbraw/zinc/31/21/72/555312172.db2.gz GXJQBNHMKZQXKJ-FQLXRVMXSA-N 0 0 525.778 6.312 50 30 KKEARN COc1ccc(/C=C\C(=O)c2ccc(I)cc2)cc1COc1ccc(Cl)cc1Cl ZINC000103252559 555344442 /nfs/dbraw/zinc/34/44/42/555344442.db2.gz OGYPSKRIVCADDI-MBXJOHMKSA-N 0 0 539.196 7.082 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000103385982 555374068 /nfs/dbraw/zinc/37/40/68/555374068.db2.gz PIPPVRFMUTXOLM-UHFFFAOYSA-N 0 0 624.191 6.915 50 30 KKEARN O=C(NCc1ccc(F)cc1)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000103387495 555374412 /nfs/dbraw/zinc/37/44/12/555374412.db2.gz LJLRNUIJENDIHA-UHFFFAOYSA-N 0 0 565.489 6.984 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000103392197 555376288 /nfs/dbraw/zinc/37/62/88/555376288.db2.gz LJVVJOIZQMEJMX-UHFFFAOYSA-N 0 0 568.102 5.700 50 30 KKEARN FC(F)(F)c1cccc([C@@H]2CC(c3ccc(OC(F)(F)C(F)(F)C(F)(F)F)cc3)=Nc3nc4ccccc4n32)c1 ZINC000103545902 555440697 /nfs/dbraw/zinc/44/06/97/555440697.db2.gz MTSCFBQXVVOOGP-NRFANRHFSA-N 0 0 575.406 8.259 50 30 KKEARN O=C(C1=C2C(O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103546930 555441334 /nfs/dbraw/zinc/44/13/34/555441334.db2.gz DJLAWDXPGNLXQI-KEVKATSASA-N 0 0 576.958 5.737 50 30 KKEARN O=C(N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103549110 555442265 /nfs/dbraw/zinc/44/22/65/555442265.db2.gz BEERVHFOVIPLKZ-ZETCQYMHSA-N 0 0 572.259 5.302 50 30 KKEARN O=P(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F ZINC000103624390 555457384 /nfs/dbraw/zinc/45/73/84/555457384.db2.gz QLCATRCPAOPBOP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/36/85/37/571368537.db2.gz GBDHPYDFFZZLEP-JIVLHQBOSA-N 0 0 539.035 6.561 50 30 KKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N\CCCCCCCCCCCCCCCCCC ZINC000103884404 571368637 /nfs/dbraw/zinc/36/86/37/571368637.db2.gz NUMZKRGEDBVNMF-ZBJUBYJTSA-N 0 0 585.924 9.785 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000103928950 571370074 /nfs/dbraw/zinc/37/00/74/571370074.db2.gz MMRBKJIBNCKXCD-ZHHPLPSFSA-N 0 0 548.661 5.869 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000104011610 571371217 /nfs/dbraw/zinc/37/12/17/571371217.db2.gz RXXXUEBMZIEFLA-LJAQVGFWSA-N 0 0 557.477 8.613 50 30 KKEARN COc1ccc(C(=O)/C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(/C(=O)c2ccc(OC)cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104132845 571374524 /nfs/dbraw/zinc/37/45/24/571374524.db2.gz WFNUFMUDSKLZRB-BYYHNAKLSA-N 0 0 594.532 5.648 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C 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C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000105403811 571404685 /nfs/dbraw/zinc/40/46/85/571404685.db2.gz SPAFYVFPVMFIBJ-QQXSKIMKSA-N 0 0 609.498 7.300 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5C(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877399 571409049 /nfs/dbraw/zinc/40/90/49/571409049.db2.gz JYGNIQLFOUTDMS-DUHWTSTBSA-N 0 0 596.818 10.158 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5OC(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877424 571409138 /nfs/dbraw/zinc/40/91/38/571409138.db2.gz SNCPPULGVLFYCZ-QXYNQRDBSA-N 0 0 612.817 10.038 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C#N)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877470 571409235 /nfs/dbraw/zinc/40/92/35/571409235.db2.gz CCAHOMDKALYCPZ-NTFNBSHWSA-N 0 0 553.831 9.011 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)S/C1=N\c1ccc(OC)cc1 ZINC000105959075 571409423 /nfs/dbraw/zinc/40/94/23/571409423.db2.gz OHNJYIMTBVZRDS-QDRXZXAYSA-N 0 0 578.488 6.541 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000105981326 571409811 /nfs/dbraw/zinc/40/98/11/571409811.db2.gz QBALSDBGHNLCQP-YVLHZVERSA-N 0 0 539.270 5.638 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000106016192 571410381 /nfs/dbraw/zinc/41/03/81/571410381.db2.gz ZMZTVCMPYOKSEH-AZSVPQILSA-N 0 0 564.638 5.545 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H](O)c1ccccc1 ZINC000109834779 571430035 /nfs/dbraw/zinc/43/00/35/571430035.db2.gz XUIXORWVXAHDKN-SZAHLOSFSA-N 0 0 619.824 7.523 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1 ZINC000113480589 571439032 /nfs/dbraw/zinc/43/90/32/571439032.db2.gz DDPPCPWNWGFMBI-UHFFFAOYSA-N 0 0 535.503 7.187 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)sc3n2)cc1 ZINC000113482458 571439127 /nfs/dbraw/zinc/43/91/27/571439127.db2.gz DFZIPVLDSHXYEI-LPYMAVHISA-N 0 0 607.779 9.793 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccc3ccccc32)cc1-c1ccc(F)c(F)c1 ZINC000113482120 571439166 /nfs/dbraw/zinc/43/91/66/571439166.db2.gz WCDCTCXGBANPCS-UHFFFAOYSA-N 0 0 523.520 7.591 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3cccc4ccccc43)nc(Sc3ncccc3[N+](=O)[O-])c2C#N)c1 ZINC000113560822 571439994 /nfs/dbraw/zinc/43/99/94/571439994.db2.gz DFYIEAGGFOVPKK-UHFFFAOYSA-N 0 0 520.570 6.912 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)cc1OC ZINC000113560573 571440011 /nfs/dbraw/zinc/44/00/11/571440011.db2.gz MZLAQAVOLWHNOM-OOAGYTMSSA-N 0 0 615.777 5.068 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)cc1OC ZINC000113560570 571440049 /nfs/dbraw/zinc/44/00/49/571440049.db2.gz MZLAQAVOLWHNOM-RVABBBBJSA-N 0 0 615.777 5.068 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccccc4Br)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560924 571440097 /nfs/dbraw/zinc/44/00/97/571440097.db2.gz FRUDASVXXUIQNQ-XJCKULRNSA-N 0 0 598.482 5.367 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C1=O)C[C@@H](c1ccccc1)CC2 ZINC000113561578 571440221 /nfs/dbraw/zinc/44/02/21/571440221.db2.gz FKQNAYNHSDBEKJ-RBTNQOKQSA-N 0 0 578.719 6.960 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccc(Cl)c(Cl)c4)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113561636 571440314 /nfs/dbraw/zinc/44/03/14/571440314.db2.gz UOLNPFMMCMNLSM-ILXDMJNLSA-N 0 0 588.476 5.912 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340162 571457724 /nfs/dbraw/zinc/45/77/24/571457724.db2.gz AQPUCGPFMVEJGS-UHFFFAOYSA-N 0 0 838.108 11.005 50 30 KKEARN F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344129 571459202 /nfs/dbraw/zinc/45/92/02/571459202.db2.gz MEXQRXXROOSHGK-PHUQXUALSA-N 0 0 950.120 11.001 50 30 KKEARN Clc1cccc(/C=N/c2ccc(C3(c4ccc(/N=C/c5cccc(Cl)c5Cl)cc4)c4ccccc4-c4ccccc43)cc2)c1Cl ZINC000150344006 571459216 /nfs/dbraw/zinc/45/92/16/571459216.db2.gz BJTVATKDOGUEEM-ATDUFPSUSA-N 0 0 662.447 12.165 50 30 KKEARN O=C(Oc1c(Br)cc(Br)cc1Br)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150345456 571459872 /nfs/dbraw/zinc/45/98/72/571459872.db2.gz LNENJJYWXQQXHD-MRVPVSSYSA-N 0 0 642.835 6.915 50 30 KKEARN O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2c1c(Br)c(Br)c(Br)c2Br ZINC000150346526 571460432 /nfs/dbraw/zinc/46/04/32/571460432.db2.gz ARVZQGSXIKSAAY-UHFFFAOYSA-N 0 0 669.967 6.159 50 30 KKEARN Cc1ccc(S(=O)(=O)C/N=C(\c2ccccc2)n2c(=S)nc(-c3ccccc3)n(CS(=O)(=O)c3ccc(C)cc3)c2=S)cc1 ZINC000150347510 571460900 /nfs/dbraw/zinc/46/09/00/571460900.db2.gz ZNTBAYJVTFUICO-XPXRSFDGSA-N 0 0 660.868 6.585 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000150348131 571461116 /nfs/dbraw/zinc/46/11/16/571461116.db2.gz OLSCTIUHDCYUJG-DNJOOXRZSA-N 0 0 648.762 7.598 50 30 KKEARN O=C(Nc1cccc2ccccc21)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150349408 571461416 /nfs/dbraw/zinc/46/14/16/571461416.db2.gz POBJJNLGHQDYKA-UHFFFAOYSA-N 0 0 633.298 8.788 50 30 KKEARN O=C(Nc1ccccc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150349396 571461438 /nfs/dbraw/zinc/46/14/38/571461438.db2.gz BVOVIJBDEFICAD-UHFFFAOYSA-N 0 0 683.252 8.905 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000150349243 571461449 /nfs/dbraw/zinc/46/14/49/571461449.db2.gz MHDMAFIFHRRKPR-UHFFFAOYSA-N 0 0 885.153 10.552 50 30 KKEARN COc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1 ZINC000150350200 571461722 /nfs/dbraw/zinc/46/17/22/571461722.db2.gz LVGDUQLJOSHBMK-XODNFHPESA-N 0 0 736.312 6.548 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000150350218 571461758 /nfs/dbraw/zinc/46/17/58/571461758.db2.gz QTERUPQFIDWWNY-KKMKTNMSSA-N 0 0 722.285 6.245 50 30 KKEARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000150350952 571462079 /nfs/dbraw/zinc/46/20/79/571462079.db2.gz BEUDQAAKMJVUSO-UHFFFAOYSA-N 0 0 627.806 8.129 50 30 KKEARN CCCCc1ccc(NN=C(C(C)=O)C(=O)Nc2cc(OC)c(NC(=O)C(=NNc3ccc(CCCC)cc3)C(C)=O)cc2OC)cc1 ZINC000150394628 571475618 /nfs/dbraw/zinc/47/56/18/571475618.db2.gz ZLQORCAFTMSHRR-CACZWXESSA-N 0 0 656.784 6.380 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000150397937 571477006 /nfs/dbraw/zinc/47/70/06/571477006.db2.gz YHEUOZHKPASVBB-QPNXRCJGSA-N 0 0 653.757 5.298 50 30 KKEARN CCc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150398017 571477134 /nfs/dbraw/zinc/47/71/34/571477134.db2.gz QXUNMMKCCDXWAJ-UHFFFAOYSA-N 0 0 634.414 7.434 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@@H]2OC(c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)=NN2C(C)=O)c1C#N ZINC000150400247 571477910 /nfs/dbraw/zinc/47/79/10/571477910.db2.gz VRONAEJTMQRYOI-VWLOTQADSA-N 0 0 664.340 6.010 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000150415245 571485304 /nfs/dbraw/zinc/48/53/04/571485304.db2.gz ZGAUELUAJGRJHL-HEVIKAOCSA-N 0 0 684.830 7.000 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)ccc1OCc1ccccc1 ZINC000150419156 571486780 /nfs/dbraw/zinc/48/67/80/571486780.db2.gz BNUJGMRDTWTLMY-KYHGBAKBSA-N 0 0 638.954 6.210 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000150425172 571489698 /nfs/dbraw/zinc/48/96/98/571489698.db2.gz OUOQYTBMCYMQAC-UHFFFAOYSA-N 0 0 625.401 6.891 50 30 KKEARN Cc1cccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)c(N)c32)c1 ZINC000150425663 571489849 /nfs/dbraw/zinc/48/98/49/571489849.db2.gz KQKLYHGWSYLPRG-XDHOZWIPSA-N 0 0 642.224 10.446 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)o1 ZINC000150426759 571490912 /nfs/dbraw/zinc/49/09/12/571490912.db2.gz RBYQZNUOLCKMDR-LJISFOLRSA-N 0 0 716.885 8.686 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150426989 571491440 /nfs/dbraw/zinc/49/14/40/571491440.db2.gz LKNSOYFFHIJVKP-WSEBHVOGSA-N 0 0 652.328 6.142 50 30 KKEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000150429641 571492840 /nfs/dbraw/zinc/49/28/40/571492840.db2.gz ANUZTDXMKJNUCK-LLZINOMRSA-N 0 0 641.775 5.046 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150434928 571495053 /nfs/dbraw/zinc/49/50/53/571495053.db2.gz DZJRCDBNFADCSM-VPHSIRQSSA-N 0 0 788.445 6.110 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435761 571495780 /nfs/dbraw/zinc/49/57/80/571495780.db2.gz IJMKAPJDDWCSKR-ZWEIEUJTSA-N 0 0 648.737 7.288 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435677 571495809 /nfs/dbraw/zinc/49/58/09/571495809.db2.gz HVHKVIAFIOCFPO-RBHLQMETSA-N 0 0 648.737 7.232 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000150438201 571496877 /nfs/dbraw/zinc/49/68/77/571496877.db2.gz UWWOCFFTQIOTOD-CAJWKFQMSA-N 0 0 633.483 5.651 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(Br)cc1 ZINC000150439164 571497290 /nfs/dbraw/zinc/49/72/90/571497290.db2.gz LJSMEECSWXFREB-AQWTWLKTSA-N 0 0 622.313 6.154 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OC ZINC000150441256 571498346 /nfs/dbraw/zinc/49/83/46/571498346.db2.gz SRLGMMOIEMVORZ-MZBOWLDFSA-N 0 0 656.424 5.668 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445477 571500361 /nfs/dbraw/zinc/50/03/61/571500361.db2.gz OTHZNQOVQVMABW-DDLSXHCZSA-N 0 0 635.767 7.332 50 30 KKEARN COc1ccc(S(=O)(=O)OC[C@@]2(C)[C@H]3CC[C@@H](C)[C@@]4(CC[C@]5(CCOC5)O4)[C@@]3(C)CC[C@@H]2OS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000150450258 571502469 /nfs/dbraw/zinc/50/24/69/571502469.db2.gz KLLASXMLVKAYIW-LQPRXUMXSA-N 0 0 678.866 5.744 50 30 biogenic KKEARN Cc1cc(-c2ccc(S(=O)(=O)NC(=NS(=O)(=O)c3ccccc3)c3ccccc3)c(C)c2)ccc1NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000150451287 571502939 /nfs/dbraw/zinc/50/29/39/571502939.db2.gz MKSLNNWNMAMXDT-UHFFFAOYSA-N 0 0 762.935 7.332 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461239 571506354 /nfs/dbraw/zinc/50/63/54/571506354.db2.gz DDNMCDZVBBTUFJ-RIEKNRFYSA-N 0 0 633.795 8.057 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000150463727 571507572 /nfs/dbraw/zinc/50/75/72/571507572.db2.gz PLCQYOAYRFJKNB-VEZPTTSMSA-N 0 0 636.770 7.606 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466107 571507859 /nfs/dbraw/zinc/50/78/59/571507859.db2.gz LBDPJTIUJPUCTP-JNYBUSFRSA-N 0 0 666.752 6.722 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000150467871 571508332 /nfs/dbraw/zinc/50/83/32/571508332.db2.gz XUEDUGYOMRAVLH-APYJYERMSA-N 0 0 648.550 6.459 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000150467859 571508337 /nfs/dbraw/zinc/50/83/37/571508337.db2.gz XUEDUGYOMRAVLH-ICACTRECSA-N 0 0 648.550 6.459 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469606 571508858 /nfs/dbraw/zinc/50/88/58/571508858.db2.gz ZOWUBCWHELYFQW-IKZPYDRGSA-N 0 0 652.625 8.210 50 30 KKEARN CCN(CC)c1ncc2c(c1C#N)[C@@](C#N)(CC(=O)c1ccc(Br)cc1)C(C(=O)c1ccc(Br)cc1)=C2N ZINC000150471917 571509648 /nfs/dbraw/zinc/50/96/48/571509648.db2.gz CXMOTDZIQVFJCL-LJAQVGFWSA-N 0 0 633.344 5.925 50 30 KKEARN Cc1ccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4ccc(C)c(C)c4)C(=O)C(=O)C5C(C)C)c(O)c32)cc1C ZINC000150473952 571510397 /nfs/dbraw/zinc/51/03/97/571510397.db2.gz LHXHQVQUMQFBOY-NBDJWBGESA-N 0 0 724.898 10.537 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(I)cc1 ZINC000150476815 571511032 /nfs/dbraw/zinc/51/10/32/571511032.db2.gz NORYLGBXJDLGSS-LJAQVGFWSA-N 0 0 649.529 6.517 50 30 KKEARN CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150483876 571514657 /nfs/dbraw/zinc/51/46/57/571514657.db2.gz HTTBFJBUASVCQC-SANMLTNESA-N 0 0 738.628 11.994 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000150484323 571514732 /nfs/dbraw/zinc/51/47/32/571514732.db2.gz QKTDSVQKILRDEJ-FMQUCBEESA-N 0 0 637.786 9.584 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000150484822 571515237 /nfs/dbraw/zinc/51/52/37/571515237.db2.gz LTOIQNNAAFFXAL-UGDMGKLASA-N 0 0 648.550 6.328 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000150484823 571515313 /nfs/dbraw/zinc/51/53/13/571515313.db2.gz LTOIQNNAAFFXAL-WKRVVKTRSA-N 0 0 648.550 6.328 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000150484827 571515315 /nfs/dbraw/zinc/51/53/15/571515315.db2.gz LTOIQNNAAFFXAL-JPZYQRIQSA-N 0 0 648.550 6.328 50 30 KKEARN N#C[C@@]1(c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000150493461 571517406 /nfs/dbraw/zinc/51/74/06/571517406.db2.gz JMNMOOUWRKLFMB-TXTSNRKZSA-N 0 0 839.249 11.401 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000150494817 571517551 /nfs/dbraw/zinc/51/75/51/571517551.db2.gz CEZWFUSDFUFGIB-IPRBCUQGSA-N 0 0 753.509 10.948 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000150494093 571517574 /nfs/dbraw/zinc/51/75/74/571517574.db2.gz MJIDTFLOMGOJSN-RSORRPJOSA-N 0 0 756.318 9.249 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1Cl ZINC000150500818 571518713 /nfs/dbraw/zinc/51/87/13/571518713.db2.gz VQWQCASHUWHGAW-UHFFFAOYSA-N 0 0 657.066 6.767 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150501406 571518896 /nfs/dbraw/zinc/51/88/96/571518896.db2.gz GHKLVMIFQUTKOF-MFCBUNOESA-N 0 0 773.390 6.001 50 30 KKEARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000150503183 571518916 /nfs/dbraw/zinc/51/89/16/571518916.db2.gz QFXYUGCEDFDOMS-SXDQJOKOSA-N 0 0 752.590 6.291 50 30 KKEARN F/C(I)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150582368 571521836 /nfs/dbraw/zinc/52/18/36/571521836.db2.gz CNVIZYKCNXLGGZ-UPHRSURJSA-N 0 0 607.976 7.539 50 30 KKEARN CCCCCCCCCCCCNC(=O)c1cccc(S(=O)(=O)N/N=c2/sc3ccc(S(=O)(=O)C(F)F)cc3n2C)c1 ZINC000150584627 571521903 /nfs/dbraw/zinc/52/19/03/571521903.db2.gz FFSKBFGCJWDDDK-VEWQFJOQSA-N 0 0 644.832 5.681 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000150609290 571522842 /nfs/dbraw/zinc/52/28/42/571522842.db2.gz ACWICHUONGFHBT-DWLKXISJSA-N 0 0 646.769 5.533 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1C ZINC000150607740 571522913 /nfs/dbraw/zinc/52/29/13/571522913.db2.gz CKFXXPMDFGHWRP-FOQAXWDGSA-N 0 0 660.796 5.921 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150626111 571523754 /nfs/dbraw/zinc/52/37/54/571523754.db2.gz SGWSWIKHSNXVJK-BUELQQIUSA-N 0 0 658.780 5.699 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000150655541 571526591 /nfs/dbraw/zinc/52/65/91/571526591.db2.gz WQXOZFWSVBEZPH-DGPALRBDSA-N 0 0 646.851 9.847 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000150655542 571526638 /nfs/dbraw/zinc/52/66/38/571526638.db2.gz WQXOZFWSVBEZPH-PQHLKRTFSA-N 0 0 646.851 9.847 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000150662683 571527801 /nfs/dbraw/zinc/52/78/01/571527801.db2.gz HDZBNBDAUCESDU-DXGJBRBSSA-N 0 0 706.857 7.539 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000150663309 571528021 /nfs/dbraw/zinc/52/80/21/571528021.db2.gz ZHPQLLDBXUYCLU-FTBPSBKWSA-N 0 0 655.651 6.202 50 30 KKEARN CCOc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OCc1cccc2ccccc21 ZINC000150663619 571528171 /nfs/dbraw/zinc/52/81/71/571528171.db2.gz SGXFQJAYDITWCN-KPGMTVGESA-N 0 0 627.458 5.634 50 30 KKEARN Cc1ccccc1NC(=O)C1=Cc2ccccc2C(=CNc2c(Cl)cccc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C1=O ZINC000162553841 571532329 /nfs/dbraw/zinc/53/23/29/571532329.db2.gz NPFBCKBTYWQRDB-XMHGGMMESA-N 0 0 646.968 7.270 50 30 KKEARN F[C@@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163816202 571543312 /nfs/dbraw/zinc/54/33/12/571543312.db2.gz NOCLWIPRQIWFMR-JWQJQJPBSA-N 0 0 784.100 9.164 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000169617779 571553882 /nfs/dbraw/zinc/55/38/82/571553882.db2.gz OLEOOCSRPJRCNO-JGYLIQDTSA-N 0 0 581.709 6.986 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795592 571560700 /nfs/dbraw/zinc/56/07/00/571560700.db2.gz IVWMVBZXKIOILW-RMXLIXJLSA-N 0 0 648.106 6.689 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c(Br)c3N2)cc1 ZINC000169683095 571558055 /nfs/dbraw/zinc/55/80/55/571558055.db2.gz AMGXNZICLXJZKW-JLBUNGTFSA-N 0 0 594.457 6.625 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)c(Br)c3N2)cc1 ZINC000169683093 571558070 /nfs/dbraw/zinc/55/80/70/571558070.db2.gz GGRKOBNKNQEBMI-MFMILTCTSA-N 0 0 636.538 7.651 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169687934 571558477 /nfs/dbraw/zinc/55/84/77/571558477.db2.gz GDJPABAVDQOXLO-MOZWKJSSSA-N 0 0 560.691 5.255 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000169777441 571560464 /nfs/dbraw/zinc/56/04/64/571560464.db2.gz VFAUDWWINUHAET-BNKYSVCDSA-N 0 0 547.007 5.799 50 30 KKEARN O=C(c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1)[C@H]1O[C@@H]1c1ccc(Br)cc1 ZINC000198685258 571568056 /nfs/dbraw/zinc/56/80/56/571568056.db2.gz RHWSDQDZWKQZSM-DHIUTWEWSA-N 0 0 525.196 6.043 50 30 KKEARN O=C(c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1)[C@H]1O[C@H]1c1ccc(Br)cc1 ZINC000198685224 571568103 /nfs/dbraw/zinc/56/81/03/571568103.db2.gz RHWSDQDZWKQZSM-XZOQPEGZSA-N 0 0 525.196 6.043 50 30 KKEARN CC(C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000198686201 571568104 /nfs/dbraw/zinc/56/81/04/571568104.db2.gz AMLWHLXRYVAGDO-TUAUFRERSA-N 0 0 550.256 6.289 50 30 KKEARN O=C1C(OCc2ccccc2)=C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000198688829 571568146 /nfs/dbraw/zinc/56/81/46/571568146.db2.gz BKTPQOFLHMDKHK-HEAIWMBWSA-N 0 0 520.625 6.426 50 30 KKEARN CCCCCCc1ccc(C(=O)Oc2ccc(NC(=O)C(F)(F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000198696398 571568263 /nfs/dbraw/zinc/56/82/63/571568263.db2.gz CPKAICGKEDJINT-UHFFFAOYSA-N 0 0 654.448 7.899 50 30 KKEARN Cc1cc(Cl)ccc1NC(=O)C1=CC(=O)C[C@H](c2ccc([C@H]3CC(=O)C=C(C(=O)Nc4ccc(Cl)cc4C)O3)cc2)O1 ZINC000198720971 571568690 /nfs/dbraw/zinc/56/86/90/571568690.db2.gz IJXUNQOOYHWPMU-VSGBNLITSA-N 0 0 605.474 6.716 50 30 KKEARN CC1=C(C(=O)C=Cc2ccc(C=CC(=O)C3=C(C)Nc4ccccc4S3)cc2)Sc2ccccc2N1 ZINC000198714615 571568720 /nfs/dbraw/zinc/56/87/20/571568720.db2.gz ORCQATYHOLLTNR-YTEMWHBBSA-N 0 0 508.668 7.750 50 30 KKEARN Cc1ccc(-c2cc(-c3cccc4ccccc43)nc(SCC(=O)Nc3cccc4ncccc43)c2C#N)cc1 ZINC000215675937 571584575 /nfs/dbraw/zinc/58/45/75/571584575.db2.gz ZDSNRVPSFHPWHW-UHFFFAOYSA-N 0 0 536.660 8.028 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ncccc43)c2C#N)c1 ZINC000215675799 571584695 /nfs/dbraw/zinc/58/46/95/571584695.db2.gz ZAVGPXPKWGEMJR-UHFFFAOYSA-N 0 0 532.625 6.583 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000215712461 571585150 /nfs/dbraw/zinc/58/51/50/571585150.db2.gz VBLRGXNGFPJGGZ-UHFFFAOYSA-N 0 0 534.563 6.749 50 30 KKEARN CC[C@@H](Sc1ccc(/N=C/c2cccnc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000215721265 571585338 /nfs/dbraw/zinc/58/53/38/571585338.db2.gz LQQNYOPLGCKGHO-CDIYLMMPSA-N 0 0 509.100 7.053 50 30 KKEARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccccc3/N=C/c3cccnc3Cl)ccc21 ZINC000215724834 571585344 /nfs/dbraw/zinc/58/53/44/571585344.db2.gz KXJGPXOQFUMDES-BVDLXKEDSA-N 0 0 513.066 7.733 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3/N=C/c3cccnc3Cl)c3ccccc3)sc2C1 ZINC000215720392 571585357 /nfs/dbraw/zinc/58/53/57/571585357.db2.gz QJOHLMDFERVVIX-PEPWOECOSA-N 0 0 557.144 8.016 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)c2C#N)cc1 ZINC000215747224 571585832 /nfs/dbraw/zinc/58/58/32/571585832.db2.gz LPQSMJHZKWNWRE-UHFFFAOYSA-N 0 0 578.694 6.628 50 30 KKEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215747842 571585847 /nfs/dbraw/zinc/58/58/47/571585847.db2.gz WAGFXVKHMVQOBQ-UHFFFAOYSA-N 0 0 507.015 5.605 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000217673884 571602217 /nfs/dbraw/zinc/60/22/17/571602217.db2.gz YUFTXJZDUDGNRJ-DVHCVUMVSA-N 0 0 537.584 5.745 50 30 KKEARN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000217980064 571602964 /nfs/dbraw/zinc/60/29/64/571602964.db2.gz MLJOPEWPVWUGFM-YNAQZEJMSA-N 0 0 549.579 5.778 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(OC)c(OCCc5ccc(OC)cc5)c3)CC(=O)O4)C2=O)cc1 ZINC000217989259 571603037 /nfs/dbraw/zinc/60/30/37/571603037.db2.gz LWVGYRHQYYFCAI-HODYDLGBSA-N 0 0 578.617 6.391 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2OCCc2ccccc2)CC(=O)O3)C1=O ZINC000218066185 571603248 /nfs/dbraw/zinc/60/32/48/571603248.db2.gz AOIUNZWPJDQQNF-BSBOAJKNSA-N 0 0 578.617 6.391 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C2=O)c1OC ZINC000218103388 571603562 /nfs/dbraw/zinc/60/35/62/571603562.db2.gz HRDIRDZEVRAFGZ-PXDDYHHSSA-N 0 0 535.552 5.735 50 30 biogenic KKEARN CCOc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(Cl)c1O ZINC000222390750 571605631 /nfs/dbraw/zinc/60/56/31/571605631.db2.gz OMEPAFNYWRWEQK-CLQOQPCJSA-N 0 0 556.030 5.667 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000261490473 572109716 /nfs/dbraw/zinc/10/97/16/572109716.db2.gz ARBKTKAUJNRJQD-KHXWZNOMSA-N 0 0 572.878 8.431 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@H](C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]23C)C2=CCOC2=O)OC1=O ZINC000261492349 572110365 /nfs/dbraw/zinc/11/03/65/572110365.db2.gz WQHWOZANSOUSAY-RKNJWGNGSA-N 0 0 664.880 5.368 50 30 in-vitro KKEARN N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000261493121 572111417 /nfs/dbraw/zinc/11/14/17/572111417.db2.gz HCBZHEUGOSKSSC-BVWQVHFJSA-N 0 0 660.742 7.656 50 30 KKEARN COC(=O)[C@@]12CC[C@@]3(C(=O)OC)CC[C@H](C)[C@H](C)[C@@H]3C1=CC(=O)[C@@H]1[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000261493301 572112423 /nfs/dbraw/zinc/11/24/23/572112423.db2.gz PAZDKPODGCWNOL-GIQMHTBJSA-N 0 0 570.767 6.081 50 30 KKEARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccccc3OC)C5=O)o2)c1 ZINC000263584862 572115514 /nfs/dbraw/zinc/11/55/14/572115514.db2.gz BPZPCUHKKBSPLO-RJNBOEKGSA-N 0 0 580.545 5.586 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263584901 572115746 /nfs/dbraw/zinc/11/57/46/572115746.db2.gz BXWVPZDVLUAWRX-LJAQVGFWSA-N 0 0 513.682 7.162 50 30 KKEARN COc1ccc(OC)c(C(=O)C2=Cc3c(c4ccc5cc(OC)c(OC)cc5c4c(OC)c3OC)CCN2C)c1 ZINC000263585511 572118610 /nfs/dbraw/zinc/11/86/10/572118610.db2.gz JMVWKJJEWWPYAL-UHFFFAOYSA-N 0 0 543.616 5.756 50 30 KKEARN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3cc(OC)c(OC)cc3OC)C5=O)cc2c1 ZINC000263585537 572118632 /nfs/dbraw/zinc/11/86/32/572118632.db2.gz JTXJSJBIJCSKDA-ZRNHNWMXSA-N 0 0 555.539 5.032 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(OCc4nccn4C)cc2)CC(=O)O3)C1=O ZINC000263585440 572118753 /nfs/dbraw/zinc/11/87/53/572118753.db2.gz INVOBXJQXRQFFE-JOODZBNRSA-N 0 0 508.530 5.065 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3cc(OC)c5c(c3)OCCO5)CC(=O)O4)C1=O)cn2C ZINC000263585459 572118877 /nfs/dbraw/zinc/11/88/77/572118877.db2.gz IXSWSOCFASCZQB-AGYZGBHGSA-N 0 0 539.540 5.024 50 30 KKEARN COc1ccccc1C=C1Oc2c(ccc3c2[C@@H](c2ccc(-c4ccc(C(C)=O)cc4)o2)CC(=O)O3)C1=O ZINC000263585733 572119880 /nfs/dbraw/zinc/11/98/80/572119880.db2.gz LUFSBFJVTUFGRH-RJNBOEKGSA-N 0 0 506.510 6.215 50 30 KKEARN C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O ZINC000263585807 572120428 /nfs/dbraw/zinc/12/04/28/572120428.db2.gz MVQNUHAWXUWHCV-WEPCQLIISA-N 0 0 551.595 6.208 50 30 KKEARN COc1ccc(C(=O)C2=Cc3c(c4ccc5cc(OC)c(OC)cc5c4c(OC)c3OC)CCN2C)cc1F ZINC000263585833 572120612 /nfs/dbraw/zinc/12/06/12/572120612.db2.gz NBQZHDLLQHUUEV-UHFFFAOYSA-N 0 0 531.580 5.887 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc3c(c2)OCCO3)C4=O)cc1 ZINC000263585970 572120905 /nfs/dbraw/zinc/12/09/05/572120905.db2.gz OKUKMAWKKAOEBX-LLLIGWKVSA-N 0 0 576.601 6.145 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)CC4CCCC4)c1)N(C)CC3)OCO2 ZINC000263586152 572122013 /nfs/dbraw/zinc/12/20/13/572122013.db2.gz QQMNZPIVPPKKLT-UHFFFAOYSA-N 0 0 541.442 5.417 50 30 KKEARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000226073876 572127384 /nfs/dbraw/zinc/12/73/84/572127384.db2.gz MQAFQLQGIRXNRR-JCOAXYOVSA-N 0 0 502.662 7.351 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1 ZINC000226073898 572127390 /nfs/dbraw/zinc/12/73/90/572127390.db2.gz RGFKHWGSRVKPLN-JPQMRUPTSA-N 0 0 514.673 7.392 50 30 KKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)C[C@H](c5ccc(F)cc5)CC4=Nc4nc5ccccc5n43)cc21 ZINC000226074109 572127463 /nfs/dbraw/zinc/12/74/63/572127463.db2.gz WDLBUGQLPJCGDD-XLUDOVTJSA-N 0 0 520.652 7.313 50 30 KKEARN CCCCCCC[C@H](CCCCCCCc1cccc(OC[C@H]2CO2)c1)c1ccc(OC[C@H]2CO2)cc1 ZINC000299803828 572138191 /nfs/dbraw/zinc/13/81/91/572138191.db2.gz GAHSOUKDFQCWJX-IDYPCJJGSA-N 0 0 508.743 8.269 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C(=O)c4ccco4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000299804369 572138603 /nfs/dbraw/zinc/13/86/03/572138603.db2.gz XVAWGFCFDLSSRP-MHZLTWQESA-N 0 0 538.556 5.091 50 30 KKEARN CCCCCCCCN=C1N=C2C=CC(C)=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158194 572153010 /nfs/dbraw/zinc/15/30/10/572153010.db2.gz XPOQJNAFWCRFFZ-ALILWUPRSA-N 0 0 548.756 5.201 50 30 KKEARN CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C2\C=Nc3ccc(Br)cc32)c2ccccc21 ZINC000334158677 572153466 /nfs/dbraw/zinc/15/34/66/572153466.db2.gz DYCVLKMXABVYHZ-RWUDLHMNSA-N 0 0 573.663 11.447 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229618771 572157245 /nfs/dbraw/zinc/15/72/45/572157245.db2.gz ZSWWIYGNKMRIHO-XMFJDCMESA-N 0 0 587.075 6.887 50 30 KKEARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)C/C2=C/c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000229829496 572161084 /nfs/dbraw/zinc/16/10/84/572161084.db2.gz YQKOIRKFCOKMIQ-FDJUWBCXSA-N 0 0 584.160 7.925 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000229862960 572161936 /nfs/dbraw/zinc/16/19/36/572161936.db2.gz 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CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000230033920 572180771 /nfs/dbraw/zinc/18/07/71/572180771.db2.gz OWQSYSUQJIASIT-NIJXNBFTSA-N 0 0 628.644 6.433 50 30 KKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)[C@@H]3CC[C@]21C ZINC000230044916 572180936 /nfs/dbraw/zinc/18/09/36/572180936.db2.gz QZEIDYFAHGMHPU-TWIWCEHXSA-N 0 0 510.679 7.998 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000238900773 572189137 /nfs/dbraw/zinc/18/91/37/572189137.db2.gz JWAWBNWTSUPJDF-RMQVNJIYSA-N 0 0 505.611 5.336 50 30 KKEARN CN(C)c1cccc2c1C(=O)C=C[C@@]21[C@@H](c2ccccc2)c2ccc(N(C)C)c3c2c(ccc3N(C)C)[C@H]1c1ccccc1 ZINC000239432755 572195523 /nfs/dbraw/zinc/19/55/23/572195523.db2.gz WIJROHVCZXZVRL-NGEWFUIKSA-N 0 0 577.772 8.006 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239433342 572195968 /nfs/dbraw/zinc/19/59/68/572195968.db2.gz XNUIOMJMFRIAHR-RDCWZDOOSA-N 0 0 529.636 6.418 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242400322 572197427 /nfs/dbraw/zinc/19/74/27/572197427.db2.gz AUFAGMAKCNOJNR-HUIMXUKNSA-N 0 0 980.146 10.364 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc(Br)c1 ZINC000245229168 572206297 /nfs/dbraw/zinc/20/62/97/572206297.db2.gz PLGZMGHIWPEILR-FNKBUZRESA-N 0 0 687.428 7.943 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245229068 572206343 /nfs/dbraw/zinc/20/63/43/572206343.db2.gz MJIDTFLOMGOJSN-IRPXJGOYSA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000245229373 572207062 /nfs/dbraw/zinc/20/70/62/572207062.db2.gz 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ZINC000245328306 572234821 /nfs/dbraw/zinc/23/48/21/572234821.db2.gz MVJACUNDDPARPO-KPURRNSFSA-N 0 0 513.723 5.645 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248026684 572252650 /nfs/dbraw/zinc/25/26/50/572252650.db2.gz GYNDNZJMZCWAOM-INXMUBLWSA-N 0 0 586.486 5.457 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000248262974 572257508 /nfs/dbraw/zinc/25/75/08/572257508.db2.gz XIZUREWRCCOBEC-OWWCKCFISA-N 0 0 602.441 5.690 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C/C=C1/CCC[C@]2(C)C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)C[C@H]12 ZINC000248274638 572257712 /nfs/dbraw/zinc/25/77/12/572257712.db2.gz RNSFJPLUMBHVCW-UARQKNSESA-N 0 0 590.761 9.322 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C/C=C1/CCC[C@]2(C)C[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)C[C@H]12 ZINC000248274640 572257797 /nfs/dbraw/zinc/25/77/97/572257797.db2.gz RNSFJPLUMBHVCW-VIUMQSSSSA-N 0 0 590.761 9.322 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2cccc3ccccc32)[C@@H](C(=O)c2cccc3ccccc32)[C@H]1c1cccc(Br)c1 ZINC000248320444 572257971 /nfs/dbraw/zinc/25/79/71/572257971.db2.gz SIGNMOLMUMXFTJ-JKVNSRIVSA-N 0 0 787.548 10.249 50 30 KKEARN COc1cc(/C=C2\C[C@@H](c3ccccc3)C/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000250277276 572258909 /nfs/dbraw/zinc/25/89/09/572258909.db2.gz CZBGSGAJHIYAQX-COACKGMLSA-N 0 0 530.617 6.352 50 30 KKEARN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)=C(Cc2ccccc2)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000250813924 572259272 /nfs/dbraw/zinc/25/92/72/572259272.db2.gz NFIRDDLXOJLYQZ-AVIMUQFTSA-N 0 0 508.538 6.224 50 30 KKEARN CCC(C)(C)[C@@H]1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 ZINC000251296846 572259425 /nfs/dbraw/zinc/25/94/25/572259425.db2.gz QTTJZWMBCNQMSC-ZTNSPIEWSA-N 0 0 502.290 8.094 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252427650 572260408 /nfs/dbraw/zinc/26/04/08/572260408.db2.gz AYBWPKYDULKECL-QSVQNGRYSA-N 0 0 580.622 7.867 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252427649 572260412 /nfs/dbraw/zinc/26/04/12/572260412.db2.gz AYBWPKYDULKECL-OKZNNLCRSA-N 0 0 580.622 7.867 50 30 KKEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@@]12C ZINC000252441469 572261011 /nfs/dbraw/zinc/26/10/11/572261011.db2.gz WXFMGCVRGSIXOB-WNNRAOOBSA-N 0 0 560.772 5.451 50 30 KKEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1ccc(C=Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000252460636 572261211 /nfs/dbraw/zinc/26/12/11/572261211.db2.gz GZLUFFMKRMXBSX-UHFFFAOYSA-N 0 0 522.608 7.692 50 30 KKEARN Cc1ccc(C=Nc2ccc(C3(c4ccc(N=Cc5ccc(C)s5)cc4)c4ccccc4-c4ccccc43)cc2)s1 ZINC000252463061 572261298 /nfs/dbraw/zinc/26/12/98/572261298.db2.gz 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532.647 6.663 50 30 KKEARN Oc1ccccc1C=Nc1ccc(C2(c3ccc(N=Cc4ccccc4O)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000252593056 572266804 /nfs/dbraw/zinc/26/68/04/572266804.db2.gz BIRIBNYHRIPODT-UHFFFAOYSA-N 0 0 556.665 8.962 50 30 KKEARN CCOc1cc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000252594321 572266834 /nfs/dbraw/zinc/26/68/34/572266834.db2.gz BQYZAKDCSXTCIC-UHFFFAOYSA-N 0 0 527.665 6.389 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=Nc2ccccc2)cc1 ZINC000252595002 572266878 /nfs/dbraw/zinc/26/68/78/572266878.db2.gz BXBSWGHRZPNKNM-JIMKRCDISA-N 0 0 545.458 7.522 50 30 KKEARN COC(=O)COc1ccccc1/C=C1\SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252595795 572266991 /nfs/dbraw/zinc/26/69/91/572266991.db2.gz CDQFYFJATCSYOT-VBGBYYPASA-N 0 0 511.603 5.566 50 30 KKEARN O=C(Cn1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCCC3)C2=O)c2ccccc21)NCc1ccco1 ZINC000252596740 572267051 /nfs/dbraw/zinc/26/70/51/572267051.db2.gz CMFKIRAQJSJADC-KEUDPWFOSA-N 0 0 552.700 6.878 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000252596996 572267062 /nfs/dbraw/zinc/26/70/62/572267062.db2.gz CNGVMTZQMFLWFH-DRTTXFHGSA-N 0 0 585.125 8.131 50 30 KKEARN O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252603426 572267698 /nfs/dbraw/zinc/26/76/98/572267698.db2.gz FQWZQVCWTVKJFI-KHDUAGGOSA-N 0 0 509.077 7.950 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1CCOc1ccc(C)cc1C ZINC000252605117 572267848 /nfs/dbraw/zinc/26/78/48/572267848.db2.gz GFWIGGQQQUODNA-UHFFFAOYSA-N 0 0 538.700 5.477 50 30 KKEARN Clc1ccc(COc2ccccc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c(Cl)c1 ZINC000252606320 572267857 /nfs/dbraw/zinc/26/78/57/572267857.db2.gz GQZNKKDQYTUTKY-UHFFFAOYSA-N 0 0 511.457 6.009 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/c4ccccc4N(Cc4ccccc4)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252611691 572268274 /nfs/dbraw/zinc/26/82/74/572268274.db2.gz ILQOFEGNZUNTRF-NVGPXSQZSA-N 0 0 515.638 7.029 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000252612481 572268358 /nfs/dbraw/zinc/26/83/58/572268358.db2.gz IUEXHKMSHSGQAE-JKVXHRLHSA-N 0 0 627.604 9.079 50 30 KKEARN Brc1ccc(C=Nc2ccc(-n3cnc4cc(N=Cc5ccc(Br)cc5)ccc43)cc2)cc1 ZINC000252612897 572268422 /nfs/dbraw/zinc/26/84/22/572268422.db2.gz IWQXTIGRSOZHER-UHFFFAOYSA-N 0 0 558.277 8.052 50 30 KKEARN CCOc1cc(C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252614409 572268530 /nfs/dbraw/zinc/26/85/30/572268530.db2.gz JIVKQYLWNNBOQS-UHFFFAOYSA-N 0 0 556.556 7.427 50 30 KKEARN CC(C)(C)c1cc(N=Cc2ccc(C=Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc2)c(O)c(C(C)(C)C)c1 ZINC000252616613 572268732 /nfs/dbraw/zinc/26/87/32/572268732.db2.gz KBTGABGNGACBKP-UHFFFAOYSA-N 0 0 540.792 9.789 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252615808 572268741 /nfs/dbraw/zinc/26/87/41/572268741.db2.gz JVCLZBLMSHYVJI-YHEUAIPESA-N 0 0 502.636 6.646 50 30 KKEARN N#Cc1c2c(sc1N=Cc1cc(I)cc(I)c1OCc1ccccc1)CCCC2 ZINC000252617274 572268941 /nfs/dbraw/zinc/26/89/41/572268941.db2.gz KPNXRQAKGBSASD-UHFFFAOYSA-N 0 0 624.285 7.037 50 30 KKEARN Brc1cccc(-c2nc3cc(N=Cc4ccc(I)cc4)ccc3o2)c1 ZINC000252618628 572269133 /nfs/dbraw/zinc/26/91/33/572269133.db2.gz LIXAGWJDDVWFCO-UHFFFAOYSA-N 0 0 503.137 6.613 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3cc(Br)cc(Br)c3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252618893 572269139 /nfs/dbraw/zinc/26/91/39/572269139.db2.gz LKPHDTXXOZTWEJ-UEMQBUKZSA-N 0 0 600.376 8.154 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252618433 572269170 /nfs/dbraw/zinc/26/91/70/572269170.db2.gz LGMSNKVHUPYMEP-UHFFFAOYSA-N 0 0 596.264 8.543 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000252618972 572269258 /nfs/dbraw/zinc/26/92/58/572269258.db2.gz LLUVJCAGIPHZAK-UHFFFAOYSA-N 0 0 564.134 5.927 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccccc1Cl ZINC000252618968 572269272 /nfs/dbraw/zinc/26/92/72/572269272.db2.gz LLRYXCUAOWAPAQ-UHFFFAOYSA-N 0 0 520.037 5.171 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)cc(Br)c1O ZINC000252619991 572269283 /nfs/dbraw/zinc/26/92/83/572269283.db2.gz LVPJLHKLJXXLPH-HSAHHWRSSA-N 0 0 551.506 7.487 50 30 KKEARN CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000252620183 572269388 /nfs/dbraw/zinc/26/93/88/572269388.db2.gz LYZJXEBPFWBFLY-LKXPOBHCSA-N 0 0 527.715 7.640 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc(I)c1OCc1ccccc1Cl ZINC000252620140 572269389 /nfs/dbraw/zinc/26/93/89/572269389.db2.gz LYCLDZBWHWZDIH-UHFFFAOYSA-N 0 0 632.934 5.969 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOc1ccc(Br)cc1 ZINC000252620826 572269467 /nfs/dbraw/zinc/26/94/67/572269467.db2.gz MMRYHYBRCOGQPY-UHFFFAOYSA-N 0 0 595.542 5.742 50 30 KKEARN O=C(Cn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000252620871 572269468 /nfs/dbraw/zinc/26/94/68/572269468.db2.gz MODMFYUEQJWIAT-UHFFFAOYSA-N 0 0 678.266 7.736 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3c(F)c(F)c(F)c(F)c3F)n2)cc1OC ZINC000252620960 572269474 /nfs/dbraw/zinc/26/94/74/572269474.db2.gz MPXJYTFXEACIJG-UHFFFAOYSA-N 0 0 500.427 5.969 50 30 KKEARN Cc1nc(N=NC2C[C@@H](c3ccccc3)Oc3ccc(C)cc32)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252621650 572269574 /nfs/dbraw/zinc/26/95/74/572269574.db2.gz NDUFJNXLMGWOEZ-DEOSSOPVSA-N 0 0 513.579 6.260 50 30 KKEARN Cc1nc(N=NC2C[C@H](c3ccccc3)Oc3ccc(C)cc32)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252621651 572269598 /nfs/dbraw/zinc/26/95/98/572269598.db2.gz NDUFJNXLMGWOEZ-XMMPIXPASA-N 0 0 513.579 6.260 50 30 KKEARN O=S(=O)(c1ccc(N=Cc2ccc3c(c2)OCO3)cc1)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1 ZINC000252622030 572269600 /nfs/dbraw/zinc/26/96/00/572269600.db2.gz NNBUKWYBJLNMMF-UHFFFAOYSA-N 0 0 512.543 5.478 50 30 KKEARN O=C1/C(=C2\SC(c3ccccc3)=NN2c2ccccc2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252621783 572269687 /nfs/dbraw/zinc/26/96/87/572269687.db2.gz NGRTYITZDSHXIQ-ZQJPHITKSA-N 0 0 504.640 7.238 50 30 KKEARN COc1ccc(C2Oc3ccccc3[C@@H](c3ccccc3C)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000252623083 572269890 /nfs/dbraw/zinc/26/98/90/572269890.db2.gz OJSJJKUNMZYPNI-SSEXGKCCSA-N 0 0 566.570 6.862 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000252623625 572269963 /nfs/dbraw/zinc/26/99/63/572269963.db2.gz OVOZXAKRGUUOGY-UHFFFAOYSA-N 0 0 549.510 6.136 50 30 KKEARN Cc1cccc(OCCOc2ccccc2C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000252623564 572269993 /nfs/dbraw/zinc/26/99/93/572269993.db2.gz OUIMFVHIUSNDKT-UHFFFAOYSA-N 0 0 514.674 5.669 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccccc1CC ZINC000252624779 572270244 /nfs/dbraw/zinc/27/02/44/572270244.db2.gz PUUSYKALVXYZGJ-DGIPJLOQSA-N 0 0 513.062 8.533 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccccc1CC ZINC000252624780 572270263 /nfs/dbraw/zinc/27/02/63/572270263.db2.gz PUUSYKALVXYZGJ-FSUGTDFASA-N 0 0 513.062 8.533 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c1C ZINC000252624487 572270270 /nfs/dbraw/zinc/27/02/70/572270270.db2.gz POTIXKPOTCAOFF-LBURZNFVSA-N 0 0 527.580 6.165 50 30 KKEARN Cc1cc(C)n(-c2nc(N=NC(C)c3ccc(Br)cc3)nc(Nc3ccc(Br)cc3)n2)n1 ZINC000252624928 572270291 /nfs/dbraw/zinc/27/02/91/572270291.db2.gz PYIODMHYOMAAQU-UHFFFAOYSA-N 0 0 556.266 5.779 50 30 KKEARN COCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)SC1=Nc1ccccc1 ZINC000252625388 572270393 /nfs/dbraw/zinc/27/03/93/572270393.db2.gz QJBPQLNYYVSMGZ-KQOXCAADSA-N 0 0 524.646 5.839 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252625605 572270401 /nfs/dbraw/zinc/27/04/01/572270401.db2.gz QNNKLGKXXUDCHC-XFUAGYMXSA-N 0 0 563.451 6.411 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252625969 572270473 /nfs/dbraw/zinc/27/04/73/572270473.db2.gz QTEZBCZVPHXKHL-INCVHPJASA-N 0 0 545.617 5.123 50 30 KKEARN COc1cc(Br)cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1O ZINC000252625729 572270522 /nfs/dbraw/zinc/27/05/22/572270522.db2.gz QQCNAZCYPYAMCN-VHKQKKMJSA-N 0 0 537.479 7.206 50 30 KKEARN O=C(Oc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1)c1ccc(I)cc1 ZINC000252626002 572270548 /nfs/dbraw/zinc/27/05/48/572270548.db2.gz QUAKBWSSFPVANF-UHFFFAOYSA-N 0 0 560.347 6.775 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000252626096 572270571 /nfs/dbraw/zinc/27/05/71/572270571.db2.gz QWBFOIHDPRGAIB-UHFFFAOYSA-N 0 0 513.362 6.690 50 30 KKEARN CCc1ccc2oc(-c3cccc(N=Cc4cc(Cc5ccccc5)cc(Br)c4O)c3)nc2c1 ZINC000252626762 572270625 /nfs/dbraw/zinc/27/06/25/572270625.db2.gz RFCOAAPFGRITSY-UHFFFAOYSA-N 0 0 511.419 7.867 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000252628102 572270895 /nfs/dbraw/zinc/27/08/95/572270895.db2.gz SICKUEWAUAZJEE-CWNGSANTSA-N 0 0 527.580 6.111 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1 ZINC000252629102 572271008 /nfs/dbraw/zinc/27/10/08/572271008.db2.gz TYNAOQGUBCXQDM-UHFFFAOYSA-N 0 0 523.641 6.029 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(Br)c(Br)c1O ZINC000252628857 572271021 /nfs/dbraw/zinc/27/10/21/572271021.db2.gz SZMDEBCBDFUOEH-WZHFLWTNSA-N 0 0 560.267 6.734 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000252628715 572271036 /nfs/dbraw/zinc/27/10/36/572271036.db2.gz SWCLIVIFOZUGJA-UHFFFAOYSA-N 0 0 558.086 5.912 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000252629818 572271120 /nfs/dbraw/zinc/27/11/20/572271120.db2.gz UOIFABQTTWNQJA-XPZANSQGSA-N 0 0 559.518 8.998 50 30 KKEARN C=CCSc1nc2c(c(-c3cccc(Br)c3)c1C#N)C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000252629531 572271132 /nfs/dbraw/zinc/27/11/32/572271132.db2.gz UIKRSYWMJIYBBH-HJLJGKCASA-N 0 0 561.633 9.107 50 30 KKEARN C=CCSc1nc2c(c(-c3cccc(Br)c3)c1C#N)C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000252629532 572271145 /nfs/dbraw/zinc/27/11/45/572271145.db2.gz UIKRSYWMJIYBBH-OXBXOCNWSA-N 0 0 561.633 9.107 50 30 KKEARN Brc1ccc(C=Nc2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000252632802 572271596 /nfs/dbraw/zinc/27/15/96/572271596.db2.gz VXBZMICCRSTHGZ-VSGBNLITSA-N 0 0 507.475 8.077 50 30 KKEARN Cc1ccccc1N=C1S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccccc1C ZINC000252632929 572271621 /nfs/dbraw/zinc/27/16/21/572271621.db2.gz VYAZPHQVHDOJJR-ZHWKOZAQSA-N 0 0 529.459 8.135 50 30 KKEARN O=S1(=O)c2cc(N=Cc3cc4c(cc3Cl)OCO4)ccc2-c2ccc(N=Cc3cc4c(cc3Cl)OCO4)cc21 ZINC000252635973 572271840 /nfs/dbraw/zinc/27/18/40/572271840.db2.gz XDMGILCIPIWKFK-UHFFFAOYSA-N 0 0 579.417 6.765 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000252635512 572271877 /nfs/dbraw/zinc/27/18/77/572271877.db2.gz WXLKTJPTVBDSMP-YLILVDPWSA-N 0 0 591.571 8.455 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=Nc1ccccc1 ZINC000252636156 572271887 /nfs/dbraw/zinc/27/18/87/572271887.db2.gz XFKDFZDYZFFQOX-DAVZBEIMSA-N 0 0 505.571 5.094 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)C(=O)N2C)cc1 ZINC000252637347 572271990 /nfs/dbraw/zinc/27/19/90/572271990.db2.gz XSEIHBJCFAEYMZ-JSADTUFQSA-N 0 0 611.461 5.993 50 30 KKEARN CCCN1C(=O)/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)SC1=Nc1ccc(C)cc1 ZINC000252637444 572272001 /nfs/dbraw/zinc/27/20/01/572272001.db2.gz XTHFVNSUQAGEFO-PPVIRQADSA-N 0 0 530.646 6.715 50 30 KKEARN Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000252639035 572272098 /nfs/dbraw/zinc/27/20/98/572272098.db2.gz YHPIBWQIIJFXOF-UHFFFAOYSA-N 0 0 539.407 5.301 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000252639325 572272114 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577.587 7.672 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C=C1C(=O)C(=C/C=C2\N(C)c3ccccc3C2(C)C)C(=O)C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O ZINC000685944491 1070942588 /nfs/dbraw/zinc/94/25/88/1070942588.db2.gz JYIQIMOWEKZXKR-VUZYEQQMSA-N 0 0 675.873 8.421 50 30 KKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000102938793 1070977165 /nfs/dbraw/zinc/97/71/65/1070977165.db2.gz UQOBYNHJHHMIMS-ZQZMJUSDSA-N 0 0 622.728 9.184 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)C[C@@H]1C ZINC000888088730 1071056276 /nfs/dbraw/zinc/05/62/76/1071056276.db2.gz OJLKJYVLORBCQI-ZWWSHJBASA-N 0 0 523.973 5.004 50 30 KKEARN COC(=O)C[C@@H](c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089022 1071057300 /nfs/dbraw/zinc/05/73/00/1071057300.db2.gz DASTYIAKWPWSIQ-JEAROSLPSA-N 0 0 693.145 6.004 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888089047 1071058025 /nfs/dbraw/zinc/05/80/25/1071058025.db2.gz FDOLKNXDQJCOFQ-JBMHNTCNSA-N 0 0 692.209 6.578 50 30 KKEARN COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)C1C(=O)C[C@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089763 1071062082 /nfs/dbraw/zinc/06/20/82/1071062082.db2.gz GGEAXUUBIYQION-JUMZHAFNSA-N 0 0 595.004 5.021 50 30 KKEARN COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1)C1C(=O)C[C@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089805 1071062122 /nfs/dbraw/zinc/06/21/22/1071062122.db2.gz IRCFUGXMRXYCDE-UJVKTDDKSA-N 0 0 683.062 5.272 50 30 KKEARN COC(=O)C[C@@H](c1cccc(OCc2cccnc2)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089721 1071062136 /nfs/dbraw/zinc/06/21/36/1071062136.db2.gz AYWOZHPXQWKABF-SQNFJHRZSA-N 0 0 608.043 5.413 50 30 KKEARN COC(=O)C[C@@H](c1ccc(OC)c(OCc2ccc(C(C)C)cc2)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090220 1071064273 /nfs/dbraw/zinc/06/42/73/1071064273.db2.gz LGBZBSLOJBSNAC-BKLLJILOSA-N 0 0 679.162 7.150 50 30 KKEARN COC(=O)C[C@@H](c1cccc(OC)c1OCCc1ccc(OC)cc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090145 1071063598 /nfs/dbraw/zinc/06/35/98/1071063598.db2.gz FRLGGXQQXIFAEJ-MBSOXWKSSA-N 0 0 681.134 6.078 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Br)cc5)o4)ccc3o2)cc1Br ZINC000106345527 1071067858 /nfs/dbraw/zinc/06/78/58/1071067858.db2.gz MRUTUKQWHRFYNL-CCVNUDIWSA-N 0 0 552.222 8.039 50 30 KKEARN CN(C)c1nc(N)nc(Nc2ccccc2SC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000106605084 1071070446 /nfs/dbraw/zinc/07/04/46/1071070446.db2.gz KBFCJWZWQBIVTD-UHFFFAOYSA-N 0 0 580.374 6.052 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(N4CCCCCC4)[nH]c(N4CCCCCC4)n3)o2)cc1 ZINC000025808986 1071135769 /nfs/dbraw/zinc/13/57/69/1071135769.db2.gz RFAZJFYPVXEVGG-ZXVVBBHZSA-N 0 0 504.595 5.247 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(Br)c3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008809711 1071159083 /nfs/dbraw/zinc/15/90/83/1071159083.db2.gz ZUVLWCQARMCGPA-ZNZIZOMTSA-N 0 0 510.391 5.742 50 30 KKEARN N#CCCN(CCN(CCC#N)C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000150563510 1071174166 /nfs/dbraw/zinc/17/41/66/1071174166.db2.gz TUZUHZYVIRGEAK-AFVNXXFQSA-N 0 0 710.728 8.155 50 30 KKEARN O=C(/C=C\c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000150624665 1071175588 /nfs/dbraw/zinc/17/55/88/1071175588.db2.gz NMMIAUNNTAVOLH-GACBQCINSA-N 0 0 660.858 6.608 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000059720860 1071185596 /nfs/dbraw/zinc/18/55/96/1071185596.db2.gz RZPKJFQZJLUNSL-KIMZHOAUSA-N 0 0 574.688 7.648 50 30 KKEARN COc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000225493108 1071184154 /nfs/dbraw/zinc/18/41/54/1071184154.db2.gz WEHZSNFXAJJPEZ-UNOMPAQXSA-N 0 0 503.505 6.362 50 30 KKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1cccc(Br)c1 ZINC000033246222 1071195633 /nfs/dbraw/zinc/19/56/33/1071195633.db2.gz XKWOWLYQCNDZOL-RAXLEYEMSA-N 0 0 507.225 7.631 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000033481732 1071198412 /nfs/dbraw/zinc/19/84/12/1071198412.db2.gz ZRHYYENQVLUUEA-SEYXRHQNSA-N 0 0 523.058 5.599 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)/C=C\c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000033674269 1071201414 /nfs/dbraw/zinc/20/14/14/1071201414.db2.gz XHFNLJWPEIKDKL-IUXPMGMMSA-N 0 0 508.530 5.698 50 30 KKEARN Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1Cc1ccccc1 ZINC000101512168 1071208645 /nfs/dbraw/zinc/20/86/45/1071208645.db2.gz QUWAHINPFPLULE-FMFFXOCNSA-N 0 0 509.719 7.751 50 30 KKEARN COc1cc(-c2cc(C(=O)N3C(=Nc4ccc(C)cc4C)SC[C@@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC000263629525 1071226519 /nfs/dbraw/zinc/22/65/19/1071226519.db2.gz RYYJQDAWJQOMOJ-FQEVSTJZSA-N 0 0 541.673 6.810 50 30 KKEARN Cc1ccc(N=C2c3c4cc(Nc5ccc(C)cc5)cc(S(=O)(=O)c5ccc(C)cc5)c4oc3C(=O)C=C2Nc2ccc(C)cc2)cc1 ZINC000254876123 1071250171 /nfs/dbraw/zinc/25/01/71/1071250171.db2.gz HHSCVWKCQCEQDS-UHFFFAOYSA-N 0 0 651.788 9.556 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(SCCO)c(Cl)c2Cl)C[C@H]1C ZINC000604403851 1071267764 /nfs/dbraw/zinc/26/77/64/1071267764.db2.gz ALEPURMGNZPNNS-JNDILOIQSA-N 0 0 558.867 5.667 50 30 KKEARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc(OC)cc3OC)C5=O)c(=O)[nH]c2c1 ZINC000604404398 1071269979 /nfs/dbraw/zinc/26/99/79/1071269979.db2.gz MXTWXHLXQDNDIM-FEIZOTCQSA-N 0 0 525.513 5.023 50 30 KKEARN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cc(OC)c(OC)cc2OC)C4=O)cc1 ZINC000604406017 1071273765 /nfs/dbraw/zinc/27/37/65/1071273765.db2.gz YCLQUCTZYWAHSU-RLKJGOPYSA-N 0 0 638.669 6.408 50 30 KKEARN CC(NCCCCCCNC(C)=C(N=Nc1ccc(Br)cc1)C(=O)C(F)(F)F)=C(N=Nc1ccc(Br)cc1)C(=O)C(F)(F)F ZINC000820390563 1071280718 /nfs/dbraw/zinc/28/07/18/1071280718.db2.gz JHUATZPCLHEBJX-UUSCZCLTSA-N 0 0 754.368 8.193 50 30 KKEARN CC[C@@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000822645993 1071281471 /nfs/dbraw/zinc/28/14/71/1071281471.db2.gz NJGLYXNVJFEDQT-YHYPACTBSA-N 0 0 818.320 5.319 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2csc(-c3cccnc3)n2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595860 1071282919 /nfs/dbraw/zinc/28/29/19/1071282919.db2.gz HCSXMTSXDIEWDE-FSCSNSASSA-N 0 0 720.200 5.858 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595837 1071283048 /nfs/dbraw/zinc/28/30/48/1071283048.db2.gz DUFXLLPMYIUKGZ-GELZDRRZSA-N 0 0 665.139 5.363 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]n1C(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000824603016 1071284680 /nfs/dbraw/zinc/28/46/80/1071284680.db2.gz USQVQWFHGOATIB-SABYYCHDSA-N 0 0 610.063 5.292 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@H](CCSC)c2nc(C)no2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824896207 1071286830 /nfs/dbraw/zinc/28/68/30/1071286830.db2.gz INOASZMUWRGGCG-FWBPFOJESA-N 0 0 702.182 5.282 50 30 KKEARN Nc1ccccc1N=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000585655920 1071296897 /nfs/dbraw/zinc/29/68/97/1071296897.db2.gz VMYZTQGCOPXENU-UHFFFAOYSA-N 0 0 542.249 9.572 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1 ZINC000217843584 1071293152 /nfs/dbraw/zinc/29/31/52/1071293152.db2.gz HRNYGFBBXCOOHZ-ZTCOUNKMSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)CC(=O)O3 ZINC000217939091 1071294061 /nfs/dbraw/zinc/29/40/61/1071294061.db2.gz WVRVLVPECKTFRC-PVYGGJOHSA-N 0 0 531.564 5.695 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2cccc(Br)c2)CC(=O)O3)C1=O ZINC000218100522 1071294822 /nfs/dbraw/zinc/29/48/22/1071294822.db2.gz XWVDGILSBKLKQW-TXAUKBGOSA-N 0 0 537.362 5.532 50 30 biogenic KKEARN COc1ccc(N2CCN(/C(=N/c3sc(-c4ccccc4)nc3-c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000585152386 1071296163 /nfs/dbraw/zinc/29/61/63/1071296163.db2.gz XQKPVJXVKIOGDR-WIKZRCHHSA-N 0 0 544.724 7.695 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc1)C1=C(N2)c2ccccc2C1=O ZINC000104639012 1071301056 /nfs/dbraw/zinc/30/10/56/1071301056.db2.gz QTZFIRUFYYKTAW-MHZLTWQESA-N 0 0 612.667 6.051 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc1)C1=C(N2)c2ccccc2C1=O ZINC000104639004 1071301272 /nfs/dbraw/zinc/30/12/72/1071301272.db2.gz QTZFIRUFYYKTAW-HHHXNRCGSA-N 0 0 612.667 6.051 50 30 KKEARN O=C(/C=C\c1cc2cc3c(cc2nc1Cl)OCCO3)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000102793947 1071303541 /nfs/dbraw/zinc/30/35/41/1071303541.db2.gz DCRKLHRGSWBQSJ-TWGQIWQCSA-N 0 0 529.379 6.717 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC=CC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102924698 1071306000 /nfs/dbraw/zinc/30/60/00/1071306000.db2.gz SULARUBCRYWVLZ-VCLNNIJQSA-N 0 0 587.554 5.813 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102929763 1071306274 /nfs/dbraw/zinc/30/62/74/1071306274.db2.gz OUVGAPAEIIZTEM-BNCCVWRVSA-N 0 0 553.527 5.606 50 30 KKEARN CC1C/C(=C\C2=C(N3CCOCC3)/C(=C\c3cccc([N+](=O)[O-])c3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000886010660 1071314634 /nfs/dbraw/zinc/31/46/34/1071314634.db2.gz IOQIPXYTISDBJF-WPJIANMBSA-N 0 0 704.824 7.582 50 30 KKEARN CC1C/C(=C\C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C1 ZINC000886016246 1071316069 /nfs/dbraw/zinc/31/60/69/1071316069.db2.gz PEOJCRACBWVTCB-OPWDEVRWSA-N 0 0 614.830 7.766 50 30 KKEARN CCOC(=O)/C(=C/c1cc(C)n(-c2ccc(I)cc2)c1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102935832 1071320669 /nfs/dbraw/zinc/32/06/69/1071320669.db2.gz ILRGOLVMHOAAMQ-HYARGMPZSA-N 0 0 544.345 5.436 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1c(F)cccc1Cl)CC2 ZINC000103079714 1071331384 /nfs/dbraw/zinc/33/13/84/1071331384.db2.gz USPKJKFAIHTKKH-VBKFSLOCSA-N 0 0 546.385 6.835 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000006172534 1071328034 /nfs/dbraw/zinc/32/80/34/1071328034.db2.gz VCMCSEBRIHMLTE-UXPPBCCBSA-N 0 0 572.712 8.858 50 30 KKEARN CCCC[C@H]1SC(=NN=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000003168290 1071342264 /nfs/dbraw/zinc/34/22/64/1071342264.db2.gz NLXIOAWIIPAEFW-QGZVFWFLSA-N 0 0 589.331 5.091 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000034868729 1072825406 /nfs/dbraw/zinc/82/54/06/1072825406.db2.gz GTJWSGHJAOAMRU-HBLOJVIQSA-N 0 0 524.448 5.984 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCC ZINC000685945334 1072826499 /nfs/dbraw/zinc/82/64/99/1072826499.db2.gz CZCQBUIMTXWPEL-BQHOJZNGSA-N 0 0 515.754 7.024 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NC ZINC000685945345 1072826889 /nfs/dbraw/zinc/82/68/89/1072826889.db2.gz FCWNEGZBPHZDOX-CXROQLAVSA-N 0 0 501.727 6.634 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)/C(=C\n5cncn5)C[C@@]43C)[C@]1(C)CC2 ZINC000685945389 1072827281 /nfs/dbraw/zinc/82/72/81/1072827281.db2.gz JOFPKSWWOCVNBS-ZKIPWHRESA-N 0 0 561.767 6.308 50 30 KKEARN C[C@@H]1CC[C@]2(C(=O)n3cncn3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C/C(=C/n6cncn6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000685945377 1072827333 /nfs/dbraw/zinc/82/73/33/1072827333.db2.gz IRWIOTHLMAJDGG-WIZSQXKWSA-N 0 0 584.809 6.888 50 30 KKEARN Brc1ccc(CN=Nc2nc(N=NCc3ccc(Br)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000095100415 1072832763 /nfs/dbraw/zinc/83/27/63/1072832763.db2.gz YQPVDMJQUSRKRO-CRDPYYQKSA-N 0 0 642.359 7.758 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000095100482 1072832812 /nfs/dbraw/zinc/83/28/12/1072832812.db2.gz FOHBKEGDBOPXFE-AAEUAGOBSA-N 0 0 643.246 6.674 50 30 KKEARN O=C(/C=C/c1cc2c(cc1Br)OCO2)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000095946208 1072833214 /nfs/dbraw/zinc/83/32/14/1072833214.db2.gz WHCJAJUYZIYKHR-JXMROGBWSA-N 0 0 508.755 6.236 50 30 KKEARN CCCCCCC[C@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)NC1=O ZINC000252487535 1072834557 /nfs/dbraw/zinc/83/45/57/1072834557.db2.gz YVGWJOFYABFFGC-RUZDIDTESA-N 0 0 559.754 6.042 50 30 KKEARN CCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000252581828 1072835067 /nfs/dbraw/zinc/83/50/67/1072835067.db2.gz NLXIOAWIIPAEFW-KRWDZBQOSA-N 0 0 589.331 5.091 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097969602 1072836332 /nfs/dbraw/zinc/83/63/32/1072836332.db2.gz BRFMEESECJSUOT-YTTGMZPUSA-N 0 0 563.779 8.769 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(/C=C\C(=O)c3ccc(Cl)c(Cl)c3Cl)cc2[N+](=O)[O-])cc1 ZINC000097993114 1072841094 /nfs/dbraw/zinc/84/10/94/1072841094.db2.gz QYLHHTKSUDKLQP-QCDXTXTGSA-N 0 0 504.797 8.541 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097999819 1072842010 /nfs/dbraw/zinc/84/20/10/1072842010.db2.gz IPKYEGBPJCQQCX-CZTRJMPPSA-N 0 0 610.795 8.491 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NN=C3SC(=N)N=C3c3cc(F)ccc3F)c2)c(C)c1 ZINC000254293325 1072844416 /nfs/dbraw/zinc/84/44/16/1072844416.db2.gz TYULRECTMFXEJO-UHFFFAOYSA-N 0 0 513.595 5.587 50 30 KKEARN O=C1C(=Nc2ccc(S(=O)(=O)c3ccc(N=C4c5ccccc5N(Cc5ccccc5)C4=O)cc3)cc2)c2ccccc2N1Cc1ccccc1 ZINC000254293634 1072844801 /nfs/dbraw/zinc/84/48/01/1072844801.db2.gz XZZWCMVIJGZTFZ-UHFFFAOYSA-N 0 0 686.793 7.855 50 30 KKEARN O=C(C(=NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1)c1ccccc1 ZINC000254312304 1072847236 /nfs/dbraw/zinc/84/72/36/1072847236.db2.gz JCBPNFJOWRSPBX-UHFFFAOYSA-N 0 0 524.620 7.551 50 30 KKEARN COC(=O)c1ccc(COc2ccccc2C=NN2C(=S)N=NC2c2ccc(OC(F)F)cc2)cc1 ZINC000254348135 1072848853 /nfs/dbraw/zinc/84/88/53/1072848853.db2.gz HDWRCWUDMVDFNM-UHFFFAOYSA-N 0 0 510.522 5.083 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)cc1 ZINC000254372283 1072849655 /nfs/dbraw/zinc/84/96/55/1072849655.db2.gz SQVTWQZCMMNZAA-UHFFFAOYSA-N 0 0 602.498 5.145 50 30 KKEARN COc1ccc2ccccc2c1C=Nn1c(-c2cc(OC)c(OC)c(OC)c2)csc1=Nc1c(C)cccc1C ZINC000254396772 1072852532 /nfs/dbraw/zinc/85/25/32/1072852532.db2.gz DYPUVHNNJVDCOS-UHFFFAOYSA-N 0 0 553.684 7.136 50 30 KKEARN C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NN(Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000254440693 1072855322 /nfs/dbraw/zinc/85/53/22/1072855322.db2.gz GOWXTGJUAUDGLS-CXNSMIOJSA-N 0 0 688.828 8.925 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3c(C)nn(Cc4ccc(C)cc4)c3C)c([N+](=O)[O-])c2)cc1 ZINC000254513922 1072860955 /nfs/dbraw/zinc/86/09/55/1072860955.db2.gz NWMZWLGUIZJSJP-UHFFFAOYSA-N 0 0 548.625 5.020 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000254509354 1072861040 /nfs/dbraw/zinc/86/10/40/1072861040.db2.gz TXMJZKWDRVHXHI-UHFFFAOYSA-N 0 0 526.106 5.750 50 30 KKEARN O=C1/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000254510975 1072861182 /nfs/dbraw/zinc/86/11/82/1072861182.db2.gz PQZHFPRQZWKASD-MAUPHCLMSA-N 0 0 532.650 7.133 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccccc2)c1[C@@H](c1c(C)nn(-c2ccccc2)c1N[C@@H](O)c1ccccc1)c1ccccc1 ZINC000254516504 1072861529 /nfs/dbraw/zinc/86/15/29/1072861529.db2.gz GKFYHMLLUOZENR-HPJJWIKHSA-N 0 0 628.780 8.709 50 30 KKEARN COc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1OC(=O)OC(C)(C)C ZINC000254523562 1072862125 /nfs/dbraw/zinc/86/21/25/1072862125.db2.gz GYEAQSGBSKGZFI-UHFFFAOYSA-N 0 0 690.766 7.231 50 30 KKEARN CCOc1ccc(OCCOc2ccc(/C=C\C(=O)N3C(=Nc4cc(C)ccc4C)SCC3(C)C)cc2OCC)cc1 ZINC000254555399 1072863534 /nfs/dbraw/zinc/86/35/34/1072863534.db2.gz NWEMZMRRRGZMQN-LTEZKRHTSA-N 0 0 588.770 7.614 50 30 KKEARN C(=[NH+][N-]c1ncnc2sc(-c3ccccc3)cc21)c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000254568701 1072864874 /nfs/dbraw/zinc/86/48/74/1072864874.db2.gz DIVJZXFRKJJZTB-UHFFFAOYSA-N 0 0 502.694 6.980 50 30 KKEARN COc1ccccc1C=Nn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000254595386 1072866456 /nfs/dbraw/zinc/86/64/56/1072866456.db2.gz ZPFSMGSWVRMTJB-RRPNLBNLSA-N 0 0 541.658 5.189 50 30 KKEARN Cc1cc(C(=O)C(C#N)=NNc2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000254600629 1072866892 /nfs/dbraw/zinc/86/68/92/1072866892.db2.gz GMWPWSKLHCTXAF-UHFFFAOYSA-N 0 0 673.702 5.469 50 30 KKEARN CCCCOc1ccc(C(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)cc1 ZINC000254611198 1072867273 /nfs/dbraw/zinc/86/72/73/1072867273.db2.gz SXZLGBVBYITSKF-UHFFFAOYSA-N 0 0 511.363 5.513 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(N=NC(C)CCc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c(C)c1 ZINC000254617418 1072867690 /nfs/dbraw/zinc/86/76/90/1072867690.db2.gz RYDQTQWPWVXEEB-UHFFFAOYSA-N 0 0 510.572 5.162 50 30 KKEARN Cc1cc(C2(c3ccc(N=Cc4ccc5c(c4)C(C)(C)[C@@H](C)N5C)c(C)c3)CCCCC2)ccc1N=Cc1ccc2c(c1)C(C)(C)[C@@H](C)N2C ZINC000254702744 1072870935 /nfs/dbraw/zinc/87/09/35/1072870935.db2.gz ZYDTWTXGLBWCNS-CZNDPXEESA-N 0 0 664.982 11.287 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(OC(F)F)cc3)C(=O)N2[C@@H](C)CCc2ccccc2)cc1 ZINC000254741094 1072874311 /nfs/dbraw/zinc/87/43/11/1072874311.db2.gz RGDHBGJIKYYLRO-CCZRXESDSA-N 0 0 508.590 6.922 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000254743958 1072874969 /nfs/dbraw/zinc/87/49/69/1072874969.db2.gz HLWBXHYWKXKOEN-NQQXAMHCSA-N 0 0 588.651 8.718 50 30 KKEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000254769677 1072878311 /nfs/dbraw/zinc/87/83/11/1072878311.db2.gz AKNJAAVQVMYSLM-UHFFFAOYSA-N 0 0 500.708 7.953 50 30 KKEARN CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccc(C(C)(C)CC)cc3C(C)(C)CC)C(=O)c3ccccc32)cc1 ZINC000254839390 1072883629 /nfs/dbraw/zinc/88/36/29/1072883629.db2.gz ISVPCOABIJOFNY-UHFFFAOYSA-N 0 0 563.786 8.790 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2c(C)nn(-c3ccccc3Cl)c2Cl)c1 ZINC000254840454 1072883743 /nfs/dbraw/zinc/88/37/43/1072883743.db2.gz DHVTWRYXYZJQMI-UHFFFAOYSA-N 0 0 534.513 5.869 50 30 KKEARN CCOc1ccc(C=Nn2c(-c3ccc(OC)cc3)csc2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1 ZINC000254870925 1072887148 /nfs/dbraw/zinc/88/71/48/1072887148.db2.gz LSOJLTOMPZMZSP-UHFFFAOYSA-N 0 0 555.660 5.242 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(Br)c3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000017308337 1072897577 /nfs/dbraw/zinc/89/75/77/1072897577.db2.gz ZUVLWCQARMCGPA-GSDHBNRESA-N 0 0 510.391 5.742 50 30 KKEARN Fc1c(F)c(F)c(Sc2c(F)c(F)c3c(F)c(Sc4c(F)c(F)c(F)c(F)c4F)c(F)c(F)c3c2F)c(F)c1F ZINC000150455261 1072904152 /nfs/dbraw/zinc/90/41/52/1072904152.db2.gz YEDFUPRVYVDBMQ-UHFFFAOYSA-N 0 0 632.344 9.368 50 30 KKEARN CC1(C)C(=O)C=CC(=O)C(C)(C)[C@@]23CC[C@@](O2)(c2ccccc23)C(C)(C)C(=O)C=CC(=O)C(C)(C)[C@@]23CC[C@@]1(O2)c1ccccc13 ZINC001501047332 1072922409 /nfs/dbraw/zinc/92/24/09/1072922409.db2.gz KBRNEYQXHMOIJA-AJXFNKDUSA-N 0 0 620.786 7.323 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000000648520 193865616 /nfs/dbraw/zinc/86/56/16/193865616.db2.gz KMQFJGJDSFMVHI-RUZDIDTESA-N 0 0 526.427 5.568 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000648950 193866021 /nfs/dbraw/zinc/86/60/21/193866021.db2.gz JGYWMZDKZHOOJK-MYUZEXMDSA-N 0 0 570.480 5.788 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000000648934 193866144 /nfs/dbraw/zinc/86/61/44/193866144.db2.gz OSJDUQHAGPNCIV-HPMVVLTCSA-N 0 0 567.682 6.596 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000649738 193867520 /nfs/dbraw/zinc/86/75/20/193867520.db2.gz LFZVAWWJVWKVOV-DEOSSOPVSA-N 0 0 525.483 6.560 50 30 KKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000006196546 193869664 /nfs/dbraw/zinc/86/96/64/193869664.db2.gz HIGNOKQMQCBIHC-RBTNQOKQSA-N 0 0 503.595 5.193 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650275 193868280 /nfs/dbraw/zinc/86/82/80/193868280.db2.gz DWFWIFZLYUYJHW-WKRVVKTRSA-N 0 0 575.658 5.485 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650710 193868601 /nfs/dbraw/zinc/86/86/01/193868601.db2.gz LKIDBBLCPLXNIQ-RUZDIDTESA-N 0 0 555.469 5.718 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1C#N ZINC000100374643 193907669 /nfs/dbraw/zinc/90/76/69/193907669.db2.gz AGOYOVLOHGERSI-KBKYJPHKSA-N 0 0 571.344 5.234 50 30 KKEARN CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001532094 291915184 /nfs/dbraw/zinc/91/51/84/291915184.db2.gz OWZREIFADZCYQD-NSHGMRRFSA-N 0 0 505.206 6.490 50 30 biogenic,in-man KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068129 291943535 /nfs/dbraw/zinc/94/35/35/291943535.db2.gz WPCIETQUBPSGIM-XJFCNFDWSA-N 0 0 558.074 6.592 50 30 biogenic,in-vitro KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c2C#N)ccc1OCc1ccccc1 ZINC000006280512 518129581 /nfs/dbraw/zinc/12/95/81/518129581.db2.gz HMJAXQIREHLKRC-UHFFFAOYSA-N 0 0 606.147 8.568 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@H](c1ccco1)C[C@H]3C(F)(F)F)CCCC2 ZINC000000646957 551507820 /nfs/dbraw/zinc/50/78/20/551507820.db2.gz UCWNDNGCNDKZKF-WFASDCNBSA-N 0 0 540.365 5.963 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000647890 551508885 /nfs/dbraw/zinc/50/88/85/551508885.db2.gz WAZPUEUUPMCZQK-KEEVHDRGSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000647977 551509080 /nfs/dbraw/zinc/50/90/80/551509080.db2.gz YYJNCXIYHAURDF-NGOKVRLYSA-N 0 0 505.586 5.690 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000000648431 551509551 /nfs/dbraw/zinc/50/95/51/551509551.db2.gz ILEIRHXDHMUTCQ-PJIRNLIGSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(F)cc2)cc1OC ZINC000000648361 551509552 /nfs/dbraw/zinc/50/95/52/551509552.db2.gz GQSIIONMXGNDDN-QXNWPYRLSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000648357 551509574 /nfs/dbraw/zinc/50/95/74/551509574.db2.gz GQSIIONMXGNDDN-XJFCNFDWSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2F)cc1OC ZINC000000648417 551509577 /nfs/dbraw/zinc/50/95/77/551509577.db2.gz QJNPOUHLRDNJIG-IPBJYNAHSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2Cl)cc1OC ZINC000000648489 551509980 /nfs/dbraw/zinc/50/99/80/551509980.db2.gz QZXHWSLHSUMWKQ-WINIVTDRSA-N 0 0 510.030 5.918 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000000649396 551511059 /nfs/dbraw/zinc/51/10/59/551511059.db2.gz SNVASHWPXMFTJZ-DEOSSOPVSA-N 0 0 546.845 5.831 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649520 551511255 /nfs/dbraw/zinc/51/12/55/551511255.db2.gz NTDQERMYUJOQEX-QFIPXVFZSA-N 0 0 517.500 5.147 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649852 551511712 /nfs/dbraw/zinc/51/17/12/551511712.db2.gz HNPQHXXQTYAYOU-GTYOFVGBSA-N 0 0 555.627 5.523 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650092 551511856 /nfs/dbraw/zinc/51/18/56/551511856.db2.gz XHZQRKURTJBWQE-YUDQIZAISA-N 0 0 559.659 5.728 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000000650195 551511887 /nfs/dbraw/zinc/51/18/87/551511887.db2.gz NNBCQVHVLQXNRT-XJFCNFDWSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000650220 551511915 /nfs/dbraw/zinc/51/19/15/551511915.db2.gz PBEXXAINDIIADU-DLLPINGYSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000650155 551511929 /nfs/dbraw/zinc/51/19/29/551511929.db2.gz JGEAEKLDCMYPBT-LGGPFLRQSA-N 0 0 517.622 5.647 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)sc2C1 ZINC000000652232 551512979 /nfs/dbraw/zinc/51/29/79/551512979.db2.gz RWQXCJPWFMWJPX-GQWAEJPESA-N 0 0 533.645 6.941 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(F)cc1 ZINC000000663844 551516513 /nfs/dbraw/zinc/51/65/13/551516513.db2.gz WCHZRMUEPADYLN-UHFFFAOYSA-N 0 0 518.581 6.454 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000000663836 551516567 /nfs/dbraw/zinc/51/65/67/551516567.db2.gz FQQBPWJOSJVYNR-UHFFFAOYSA-N 0 0 533.528 5.404 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000000665680 551517008 /nfs/dbraw/zinc/51/70/08/551517008.db2.gz BVTBZZGRCLJARV-UHFFFAOYSA-N 0 0 577.519 6.440 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000000665690 551517128 /nfs/dbraw/zinc/51/71/28/551517128.db2.gz URZLJULEACRQBB-UHFFFAOYSA-N 0 0 563.094 6.339 50 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ZINC000000696089 551527982 /nfs/dbraw/zinc/52/79/82/551527982.db2.gz VTDUPFPVYLYMDJ-QFIPXVFZSA-N 0 0 512.473 5.809 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(N(C)C)cc2)nc1C ZINC000000702946 551529779 /nfs/dbraw/zinc/52/97/79/551529779.db2.gz YYQWJUGVTGCZIH-JOCHJYFZSA-N 0 0 501.564 5.249 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000703084 551530279 /nfs/dbraw/zinc/53/02/79/551530279.db2.gz BSWBDNYVVBLDHW-GDJIYFAZSA-N 0 0 531.605 5.815 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccccc2)cc(OC)c1OC ZINC000000703145 551530806 /nfs/dbraw/zinc/53/08/06/551530806.db2.gz MLPSXKZZJFDJJY-AREMUKBSSA-N 0 0 513.546 5.280 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000706182 551531291 /nfs/dbraw/zinc/53/12/91/551531291.db2.gz HXVXZXPBPDNLDV-XMMPIXPASA-N 0 0 520.626 5.001 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)[C@H](c1cc(Br)c(Br)o1)Nc1ccc3ccccc3c12 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N#Cc1c2c(sc1NC(=O)c1cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n1)CCCC2 ZINC000000720962 551537412 /nfs/dbraw/zinc/53/74/12/551537412.db2.gz VUSXCWIZFFHDDH-UHFFFAOYSA-N 0 0 511.485 5.208 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000000728524 551538861 /nfs/dbraw/zinc/53/88/61/551538861.db2.gz AJEJIZBONZDBBD-ONOMSOESSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000728527 551538908 /nfs/dbraw/zinc/53/89/08/551538908.db2.gz AJEJIZBONZDBBD-LGGPFLRQSA-N 0 0 501.623 5.941 50 30 KKEARN COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000000729403 551539041 /nfs/dbraw/zinc/53/90/41/551539041.db2.gz FQRDRSQGLOAOEA-QFIPXVFZSA-N 0 0 517.464 5.083 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Br)c1OC ZINC000000729429 551539064 /nfs/dbraw/zinc/53/90/64/551539064.db2.gz UAEXONXZJISCCR-MYUZEXMDSA-N 0 0 519.439 6.754 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000797826 551543202 /nfs/dbraw/zinc/54/32/02/551543202.db2.gz KGWDHBQZBXUAAX-RUZDIDTESA-N 0 0 501.966 5.669 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000801121 551543360 /nfs/dbraw/zinc/54/33/60/551543360.db2.gz DYNPIJUEKBZQGX-CHJDUVSTSA-N 0 0 552.583 5.471 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000000801116 551543389 /nfs/dbraw/zinc/54/33/89/551543389.db2.gz SADVFWXDYIBPGF-DLLPINGYSA-N 0 0 553.655 5.860 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000000832953 551546608 /nfs/dbraw/zinc/54/66/08/551546608.db2.gz PSKHEOWBDKNJRY-UHFFFAOYSA-N 0 0 536.406 5.796 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000844145 551547738 /nfs/dbraw/zinc/54/77/38/551547738.db2.gz QTLMPZQZOMDQRT-HSZRJFAPSA-N 0 0 518.448 5.556 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000000844223 551548098 /nfs/dbraw/zinc/54/80/98/551548098.db2.gz OBNAWCDZVUUNLI-QHCPKHFHSA-N 0 0 512.400 5.265 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000000853907 551550219 /nfs/dbraw/zinc/55/02/19/551550219.db2.gz JPJGDYMZWKMZAG-QKFKETGDSA-N 0 0 530.802 5.366 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000000853511 551550222 /nfs/dbraw/zinc/55/02/22/551550222.db2.gz GWJIVJBIDVGSLM-UHFFFAOYSA-N 0 0 511.603 6.044 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000861311 551551229 /nfs/dbraw/zinc/55/12/29/551551229.db2.gz KHQUNXVLPVWIQM-YKGWIAGDSA-N 0 0 574.073 6.210 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000861307 551551252 /nfs/dbraw/zinc/55/12/52/551551252.db2.gz MZQGMZCHLANECT-KPURRNSFSA-N 0 0 544.047 6.202 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000000861403 551551494 /nfs/dbraw/zinc/55/14/94/551551494.db2.gz BIWZWPVGLJSJHO-XDHUDOTRSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccc(Br)c2)cc1 ZINC000000861456 551551553 /nfs/dbraw/zinc/55/15/53/551551553.db2.gz RZSFUNNIDRURSS-FQRUVTKNSA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000000863407 551551854 /nfs/dbraw/zinc/55/18/54/551551854.db2.gz LMOVYNIAHXAJTM-QLXKLKPCSA-N 0 0 530.448 6.324 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863396 551551877 /nfs/dbraw/zinc/55/18/77/551551877.db2.gz CRPOZTGDDBSCNZ-CRICUBBOSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863366 551551918 /nfs/dbraw/zinc/55/19/18/551551918.db2.gz IFDPCQIRWDNVNR-KCWXNJEJSA-N 0 0 546.620 5.850 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863447 551551920 /nfs/dbraw/zinc/55/19/20/551551920.db2.gz AEIZBJYIJQQVEU-KCWXNJEJSA-N 0 0 546.620 5.850 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000863506 551552039 /nfs/dbraw/zinc/55/20/39/551552039.db2.gz XEQSKYFSQLGDNA-WNSKOXEYSA-N 0 0 502.394 5.545 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000000863488 551552042 /nfs/dbraw/zinc/55/20/42/551552042.db2.gz NNCIYBVLMPEWSO-IZHWHUGBSA-N 0 0 502.394 5.545 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863484 551552051 /nfs/dbraw/zinc/55/20/51/551552051.db2.gz NTDQRYUYOJKLGN-WTYVLRPYSA-N 0 0 532.593 5.459 50 30 KKEARN COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000864953 551552363 /nfs/dbraw/zinc/55/23/63/551552363.db2.gz GHRJUASHBDWKLY-MUUNZHRXSA-N 0 0 512.606 6.165 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000000867317 551553350 /nfs/dbraw/zinc/55/33/50/551553350.db2.gz AKWOXFZBZVQYNZ-PUAOIOHZSA-N 0 0 512.484 5.760 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(OC)cc1 ZINC000000949849 551588857 /nfs/dbraw/zinc/58/88/57/551588857.db2.gz AELMDCRZUTTZMD-UHFFFAOYSA-N 0 0 556.511 5.680 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000000949877 551588861 /nfs/dbraw/zinc/58/88/61/551588861.db2.gz ISULHIASPGCDQG-UHFFFAOYSA-N 0 0 540.114 6.091 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccco1 ZINC000000949858 551588932 /nfs/dbraw/zinc/58/89/32/551588932.db2.gz OQMBTQSKFKMZIR-UHFFFAOYSA-N 0 0 539.992 6.174 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000000970720 551590698 /nfs/dbraw/zinc/59/06/98/551590698.db2.gz VWJNVABPOKXZTD-CJBMVKJXSA-N 0 0 505.611 5.416 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000000985922 551592514 /nfs/dbraw/zinc/59/25/14/551592514.db2.gz UCEDUESVBAWLLV-GDJIYFAZSA-N 0 0 566.576 6.484 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001003447 551596020 /nfs/dbraw/zinc/59/60/20/551596020.db2.gz WKKKBWRMORZDQH-WHLCRQNOSA-N 0 0 501.970 6.559 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001035428 551598539 /nfs/dbraw/zinc/59/85/39/551598539.db2.gz CSCWVRGQKLMHMC-OAQYLSRUSA-N 0 0 508.043 5.925 50 30 KKEARN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCC(=O)Nc2ccc(F)cc2)C2=C1CC(C)(C)CC2=O ZINC000001065451 551601954 /nfs/dbraw/zinc/60/19/54/551601954.db2.gz PQTNOKVHCZMZCQ-UHFFFAOYSA-N 0 0 530.640 6.159 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001074646 551603452 /nfs/dbraw/zinc/60/34/52/551603452.db2.gz GMCHOUSGMQMIQM-NFQMXDRXSA-N 0 0 503.595 6.001 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001074629 551603460 /nfs/dbraw/zinc/60/34/60/551603460.db2.gz GCRCDNFWGYGYHU-IBVKSMDESA-N 0 0 500.576 5.761 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001074811 551603881 /nfs/dbraw/zinc/60/38/81/551603881.db2.gz GOEUBBWMCWJGBE-IDISGSTGSA-N 0 0 504.051 6.549 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001074667 551603893 /nfs/dbraw/zinc/60/38/93/551603893.db2.gz BLRALXGGQVFQMF-MMTVBGGISA-N 0 0 545.657 5.879 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000001075086 551604025 /nfs/dbraw/zinc/60/40/25/551604025.db2.gz KNOBFZGFXJONAZ-QLXKLKPCSA-N 0 0 555.469 5.067 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001077325 551604550 /nfs/dbraw/zinc/60/45/50/551604550.db2.gz SAFLHYQXSVLJEQ-IIMAJNMQSA-N 0 0 545.632 5.670 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc(Br)c1O ZINC000001077119 551604583 /nfs/dbraw/zinc/60/45/83/551604583.db2.gz FZTRBCOBZGCJTQ-CBZJRKILSA-N 0 0 535.438 6.542 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000001077475 551604842 /nfs/dbraw/zinc/60/48/42/551604842.db2.gz RFVPDVZUURHAPJ-JYRCXFKTSA-N 0 0 565.464 6.550 50 30 KKEARN COc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000001078097 551605134 /nfs/dbraw/zinc/60/51/34/551605134.db2.gz ANYCOTGCDBEITL-UHFFFAOYSA-N 0 0 537.292 6.193 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@H](C)NC(=O)c1cccs1 ZINC000001123275 551613400 /nfs/dbraw/zinc/61/34/00/551613400.db2.gz CEVUFJUDHZNKDT-LBPRGKRZSA-N 0 0 529.997 5.420 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccsc1 ZINC000001123310 551613497 /nfs/dbraw/zinc/61/34/97/551613497.db2.gz DBSVHYMFSKJTGX-NGOKVRLYSA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001130087 551615401 /nfs/dbraw/zinc/61/54/01/551615401.db2.gz PETOHSRCCALPSR-DCFHFQCYSA-N 0 0 514.534 5.301 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000001141093 551617124 /nfs/dbraw/zinc/61/71/24/551617124.db2.gz DCLDAEUWWJDOOY-DMZKTXOQSA-N 0 0 518.429 5.062 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000001148967 551619038 /nfs/dbraw/zinc/61/90/38/551619038.db2.gz GLYFMFTXGWLWKG-NYHFZMIOSA-N 0 0 502.430 5.444 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000001152228 551619356 /nfs/dbraw/zinc/61/93/56/551619356.db2.gz HVKKHYAFVBLEAO-CMJOXMDJSA-N 0 0 500.364 5.131 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000001152230 551619359 /nfs/dbraw/zinc/61/93/59/551619359.db2.gz HVKKHYAFVBLEAO-WNSKOXEYSA-N 0 0 500.364 5.131 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001151762 551619410 /nfs/dbraw/zinc/61/94/10/551619410.db2.gz ZQUSMECIBQVOEK-PPHZAIPVSA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001155697 551619856 /nfs/dbraw/zinc/61/98/56/551619856.db2.gz ZKZHZOPWOFTJAX-CRYYWNKWSA-N 0 0 582.491 6.019 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000001201587 551623486 /nfs/dbraw/zinc/62/34/86/551623486.db2.gz XTOKWTPBUWQIBS-DLLPINGYSA-N 0 0 537.612 5.571 50 30 KKEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001201536 551623550 /nfs/dbraw/zinc/62/35/50/551623550.db2.gz ZJBFZCYYKORPJB-HVNZXBJASA-N 0 0 521.613 5.759 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001201749 551623558 /nfs/dbraw/zinc/62/35/58/551623558.db2.gz IGNYOIWVTNDFDY-GYCJOSAFSA-N 0 0 542.426 5.097 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2Br)cc1 ZINC000001201667 551623588 /nfs/dbraw/zinc/62/35/88/551623588.db2.gz MDMIADAUAMEEGS-CJAUYULYSA-N 0 0 510.428 5.771 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001213223 551625616 /nfs/dbraw/zinc/62/56/16/551625616.db2.gz NQXVDAUQUDEQGR-XMMPIXPASA-N 0 0 510.974 5.604 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2cccs2)cc(OC)c1OC ZINC000001249974 551632185 /nfs/dbraw/zinc/63/21/85/551632185.db2.gz RDRFTBIJDMJKOY-GEFUHLBYSA-N 0 0 584.669 7.127 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000001250328 551632625 /nfs/dbraw/zinc/63/26/25/551632625.db2.gz ZYFUAQQTTQNKKR-WNSROMTISA-N 0 0 574.677 7.235 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccc(Br)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000001257679 551633157 /nfs/dbraw/zinc/63/31/57/551633157.db2.gz ISKHHOQNLQZLOT-RBTNQOKQSA-N 0 0 501.424 6.678 50 30 KKEARN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001268897 551634429 /nfs/dbraw/zinc/63/44/29/551634429.db2.gz OTKRUQXKDGIMET-YKGWIAGDSA-N 0 0 508.618 7.410 50 30 KKEARN COc1ccc(CCN2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001283098 551636763 /nfs/dbraw/zinc/63/67/63/551636763.db2.gz VBPGQRJXOIZHEC-UHFFFAOYSA-N 0 0 573.730 6.649 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001299045 551637916 /nfs/dbraw/zinc/63/79/16/551637916.db2.gz WQOXGCDAFJMLJU-UKPGIYTDSA-N 0 0 554.643 6.032 50 30 KKEARN COc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001323129 551642100 /nfs/dbraw/zinc/64/21/00/551642100.db2.gz LWEDEMYOOUAYRQ-JCOAXYOVSA-N 0 0 550.611 6.520 50 30 biogenic KKEARN CCOc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(Br)cc1OC ZINC000001407126 551662226 /nfs/dbraw/zinc/66/22/26/551662226.db2.gz GDUVZAZYSKNQFM-UVHMKAGCSA-N 0 0 517.445 6.070 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000001411053 551664758 /nfs/dbraw/zinc/66/47/58/551664758.db2.gz CYDXQDDUXOYYGK-NDEPHWFRSA-N 0 0 526.589 5.492 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cccs3)C2)cc1OC ZINC000001413004 551665097 /nfs/dbraw/zinc/66/50/97/551665097.db2.gz VWOKZVKSFMFPDN-ADXZGYQBSA-N 0 0 542.682 7.041 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3cccs3)C2)cc1OC ZINC000001413006 551665159 /nfs/dbraw/zinc/66/51/59/551665159.db2.gz VWOKZVKSFMFPDN-SLQAJWMNSA-N 0 0 542.682 7.041 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000001413422 551665421 /nfs/dbraw/zinc/66/54/21/551665421.db2.gz ZLCVCPRISXQIFR-DEOSSOPVSA-N 0 0 519.370 5.891 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413430 551665459 /nfs/dbraw/zinc/66/54/59/551665459.db2.gz NQSMLHNNPDUBIM-VWLOTQADSA-N 0 0 547.405 5.466 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1 ZINC000001413409 551665502 /nfs/dbraw/zinc/66/55/02/551665502.db2.gz URJIABDBVUHERS-XMMPIXPASA-N 0 0 501.380 5.751 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413454 551665853 /nfs/dbraw/zinc/66/58/53/551665853.db2.gz WPIFNRKBJPXBCO-SANMLTNESA-N 0 0 500.526 5.145 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001422754 551668556 /nfs/dbraw/zinc/66/85/56/551668556.db2.gz WOPKTOAFEOZQMS-IEXUWNMDSA-N 0 0 507.652 5.551 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@H]1c1cccc(OC)c1)CCCC2 ZINC000001422958 551668774 /nfs/dbraw/zinc/66/87/74/551668774.db2.gz DIONAVCOIWARDS-QHCPKHFHSA-N 0 0 506.624 5.029 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1O ZINC000001425021 551669308 /nfs/dbraw/zinc/66/93/08/551669308.db2.gz BVRWFTJKNVSWHH-YSURURNPSA-N 0 0 503.150 5.880 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000001425096 551669317 /nfs/dbraw/zinc/66/93/17/551669317.db2.gz KXYGHNMBVPYNLS-XPABLWIASA-N 0 0 512.609 6.347 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000001427264 551669439 /nfs/dbraw/zinc/66/94/39/551669439.db2.gz SUJSHHAROWEXNE-QLXKLKPCSA-N 0 0 518.610 5.905 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000001429719 551669709 /nfs/dbraw/zinc/66/97/09/551669709.db2.gz YVQKVLFLQHQBKL-CBZJRKILSA-N 0 0 518.610 5.905 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001427573 551669746 /nfs/dbraw/zinc/66/97/46/551669746.db2.gz HGSDHTVTJUAUPR-BZQUYTCOSA-N 0 0 527.448 7.194 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000001430904 551669989 /nfs/dbraw/zinc/66/99/89/551669989.db2.gz ISIAAVCDCSSISB-CLWPXKJUSA-N 0 0 597.636 5.763 50 30 KKEARN COc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000001430156 551670008 /nfs/dbraw/zinc/67/00/08/551670008.db2.gz NALXZANIOIADGW-HXUWFJFHSA-N 0 0 504.652 6.070 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001431214 551670247 /nfs/dbraw/zinc/67/02/47/551670247.db2.gz IZCWNIKIIAQBDA-KDYSTLNUSA-N 0 0 514.603 5.804 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001431225 551670256 /nfs/dbraw/zinc/67/02/56/551670256.db2.gz SQOPMRHBQJJUKC-KPURRNSFSA-N 0 0 529.658 5.913 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001431230 551670271 /nfs/dbraw/zinc/67/02/71/551670271.db2.gz YTEBPSZIPLMKRH-NGOKVRLYSA-N 0 0 529.614 5.590 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001431261 551670466 /nfs/dbraw/zinc/67/04/66/551670466.db2.gz SGSCAYVKOAPVHE-ACSYHNTCSA-N 0 0 575.683 5.888 50 30 KKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000001434714 551670638 /nfs/dbraw/zinc/67/06/38/551670638.db2.gz WCJTZSUFEHSVDU-HMILPKGGSA-N 0 0 514.578 5.479 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001434664 551670653 /nfs/dbraw/zinc/67/06/53/551670653.db2.gz QLUSKFSCSKSWFG-HRFSGMKKSA-N 0 0 530.602 5.770 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1Br ZINC000001434659 551670661 /nfs/dbraw/zinc/67/06/61/551670661.db2.gz QAHWCPRGUUMWLT-WHLCRQNOSA-N 0 0 566.492 6.314 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001434626 551670665 /nfs/dbraw/zinc/67/06/65/551670665.db2.gz KREKJOJEBLKKAI-IQMFZBJNSA-N 0 0 518.448 6.211 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438340 551671667 /nfs/dbraw/zinc/67/16/67/551671667.db2.gz PMXDFEFXEUTZCB-JLCFBVMHSA-N 0 0 504.421 5.963 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1OC ZINC000001438101 551671670 /nfs/dbraw/zinc/67/16/70/551671670.db2.gz XOJNHXHZFIUWSJ-XDBZFTIUSA-N 0 0 549.465 6.845 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001438590 551672334 /nfs/dbraw/zinc/67/23/34/551672334.db2.gz UERXGRMPPPNGCU-UZTOHYMASA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(F)c(Br)c1 ZINC000001438844 551672397 /nfs/dbraw/zinc/67/23/97/551672397.db2.gz TUYJBCITLACRKX-CRICUBBOSA-N 0 0 528.418 5.910 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(OC(C)=O)cc1 ZINC000001439746 551672464 /nfs/dbraw/zinc/67/24/64/551672464.db2.gz OIMISOGUXWNOTR-KCWXNJEJSA-N 0 0 515.606 5.468 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(F)c(Br)c1 ZINC000001438847 551672469 /nfs/dbraw/zinc/67/24/69/551672469.db2.gz TUYJBCITLACRKX-GKVSMKOHSA-N 0 0 528.418 5.910 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001444425 551673733 /nfs/dbraw/zinc/67/37/33/551673733.db2.gz TUNBFMGKZAXXRR-AREMUKBSSA-N 0 0 500.982 5.959 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001444424 551673831 /nfs/dbraw/zinc/67/38/31/551673831.db2.gz TUNBFMGKZAXXRR-SANMLTNESA-N 0 0 500.982 5.959 50 30 KKEARN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001446346 551674180 /nfs/dbraw/zinc/67/41/80/551674180.db2.gz MDUZWPDEVUOBAB-XMMPIXPASA-N 0 0 544.405 5.030 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001446892 551674264 /nfs/dbraw/zinc/67/42/64/551674264.db2.gz JFKKVWKRAIPTOI-DEOSSOPVSA-N 0 0 546.601 5.422 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(Br)cc2OC)cc1 ZINC000001448311 551674529 /nfs/dbraw/zinc/67/45/29/551674529.db2.gz LSMDKTCGZNSBQS-JYRCXFKTSA-N 0 0 535.438 6.454 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450345 551675326 /nfs/dbraw/zinc/67/53/26/551675326.db2.gz OERCUOUEMVJCEF-XMMPIXPASA-N 0 0 528.586 5.491 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000001451421 551676052 /nfs/dbraw/zinc/67/60/52/551676052.db2.gz JKLJUPQRECJPLS-AREMUKBSSA-N 0 0 544.629 6.030 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001453804 551676493 /nfs/dbraw/zinc/67/64/93/551676493.db2.gz KTRGCDSVAHFQKF-ZWVRTZEQSA-N 0 0 590.676 6.935 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457401 551677056 /nfs/dbraw/zinc/67/70/56/551677056.db2.gz OPINPSQMYUQEFB-WTYVLRPYSA-N 0 0 536.550 6.475 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000001458865 551677280 /nfs/dbraw/zinc/67/72/80/551677280.db2.gz LWOGOHBSVIGFHK-JPQMRUPTSA-N 0 0 594.689 6.766 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000001458918 551677302 /nfs/dbraw/zinc/67/73/02/551677302.db2.gz CWXZNCVZZWQDDG-HPMVVLTCSA-N 0 0 530.624 6.918 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000001460732 551677970 /nfs/dbraw/zinc/67/79/70/551677970.db2.gz TUHWKDDIBPSJSC-JPZYQRIQSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000001460731 551678043 /nfs/dbraw/zinc/67/80/43/551678043.db2.gz TUHWKDDIBPSJSC-UVDDSOTQSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2C)cc1 ZINC000001460745 551678069 /nfs/dbraw/zinc/67/80/69/551678069.db2.gz FISLJCVSCSURDZ-JPZYQRIQSA-N 0 0 538.644 6.021 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460757 551678189 /nfs/dbraw/zinc/67/81/89/551678189.db2.gz QWHSTXVMUMFHAU-APYJYERMSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460776 551678194 /nfs/dbraw/zinc/67/81/94/551678194.db2.gz AHUWLCOXOJBNRW-JPZYQRIQSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(C)C)cc1 ZINC000001460794 551678521 /nfs/dbraw/zinc/67/85/21/551678521.db2.gz WYLLWLSAMWOFKL-HPMVVLTCSA-N 0 0 566.698 6.836 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460782 551678531 /nfs/dbraw/zinc/67/85/31/551678531.db2.gz UAZVHYCTMQAWEM-HEIROHQZSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000001460787 551678546 /nfs/dbraw/zinc/67/85/46/551678546.db2.gz GZSNMLDKOBIABS-FLASPHMUSA-N 0 0 582.697 6.500 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000001460792 551678566 /nfs/dbraw/zinc/67/85/66/551678566.db2.gz DLXHYIXDCJAJLK-UGDMGKLASA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(C)ccc2C)cc1OC ZINC000001460999 551679022 /nfs/dbraw/zinc/67/90/22/551679022.db2.gz XPKNBMLHBJAPMX-GPNASLBKSA-N 0 0 536.672 6.629 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460980 551679047 /nfs/dbraw/zinc/67/90/47/551679047.db2.gz MNRABOZNVIBHCU-UKPGIYTDSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cc(C)ccc2C)cc1 ZINC000001461013 551679067 /nfs/dbraw/zinc/67/90/67/551679067.db2.gz RANKIPPDYTVKSB-UDNBHOFDSA-N 0 0 552.671 6.330 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(O)c1 ZINC000001461075 551679184 /nfs/dbraw/zinc/67/91/84/551679184.db2.gz GHMDXZNDOATLDF-IIMAJNMQSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000001461096 551679532 /nfs/dbraw/zinc/67/95/32/551679532.db2.gz NADGNSLHBJOUAD-SMSORMJASA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000001461094 551679535 /nfs/dbraw/zinc/67/95/35/551679535.db2.gz FFTBUNGMGSGJCN-WRGVRERRSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001467870 551680195 /nfs/dbraw/zinc/68/01/95/551680195.db2.gz SGGAWTSJKHFBAW-DNOBIOAJSA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480131 551681436 /nfs/dbraw/zinc/68/14/36/551681436.db2.gz XVUMZUWTPORCHH-XMMPIXPASA-N 0 0 532.574 5.114 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480841 551682325 /nfs/dbraw/zinc/68/23/25/551682325.db2.gz QJKCYBDBLHNVRH-XMMPIXPASA-N 0 0 548.592 5.861 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482295 551682732 /nfs/dbraw/zinc/68/27/32/551682732.db2.gz ADLCVEBPCULLPK-XMMPIXPASA-N 0 0 530.602 5.722 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000001738272 551691221 /nfs/dbraw/zinc/69/12/21/551691221.db2.gz SSVGULFEHGLLAO-AZWSXNEJSA-N 0 0 541.772 6.127 50 30 KKEARN Cc1cccc(/N=C2\S/C(=C3\C(=O)Nc4ccc(Br)cc43)C(=O)N2c2cccc(C)c2)c1 ZINC000001750672 551693016 /nfs/dbraw/zinc/69/30/16/551693016.db2.gz PNUKFXJJEIZPGJ-IJODWYDQSA-N 0 0 504.409 6.197 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001801655 551703484 /nfs/dbraw/zinc/70/34/84/551703484.db2.gz YACFYIPDSCGAKE-UHFFFAOYSA-N 0 0 565.742 6.077 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccccc1Cl ZINC000001811293 551706275 /nfs/dbraw/zinc/70/62/75/551706275.db2.gz HVPYVSBQNWAOBF-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN C=C(C)Cn1c(SCc2ccc(Cl)cc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001813940 551706957 /nfs/dbraw/zinc/70/69/57/551706957.db2.gz UOHBIZRGHBBNPL-UHFFFAOYSA-N 0 0 511.518 7.844 50 30 KKEARN N#Cc1c(SCc2ccc(Br)cc2)nsc1SCc1ccc(Br)cc1 ZINC000001814404 551707211 /nfs/dbraw/zinc/70/72/11/551707211.db2.gz ISPMELLTMVKJRE-UHFFFAOYSA-N 0 0 512.317 7.124 50 30 KKEARN Cc1nc(SCC(=O)Nc2ccc(C(C)C)cc2)c(C#N)c(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1 ZINC000001824528 551709550 /nfs/dbraw/zinc/70/95/50/551709550.db2.gz RIAHRBHYLBMZEY-UHFFFAOYSA-N 0 0 555.103 7.689 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Br)cc3)c3cccc(C)c3n2)cc1 ZINC000001826161 551710142 /nfs/dbraw/zinc/71/01/42/551710142.db2.gz KZZOXKYBVFOVIO-UHFFFAOYSA-N 0 0 558.516 8.525 50 30 KKEARN N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1C#N ZINC000001837998 551712924 /nfs/dbraw/zinc/71/29/24/551712924.db2.gz AFIPBLPVHALGGB-UHFFFAOYSA-N 0 0 519.469 5.962 50 30 KKEARN CCCCCCOc1ccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000001858444 551716667 /nfs/dbraw/zinc/71/66/67/551716667.db2.gz DZPOSZJFTSGENF-NJZRLIGZSA-N 0 0 512.679 7.735 50 30 KKEARN COc1cccc(CN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000001860570 551717103 /nfs/dbraw/zinc/71/71/03/551717103.db2.gz GURWYJPSCHHKSI-NDEPHWFRSA-N 0 0 550.618 5.467 50 30 KKEARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(Oc4cccc(C#N)c4C#N)c3)cc2)cc1 ZINC000001862036 551717350 /nfs/dbraw/zinc/71/73/50/551717350.db2.gz NLFGJQIWBODIKV-UHFFFAOYSA-N 0 0 516.509 5.790 50 30 KKEARN COc1ccc(CN2C(=O)[C@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001869121 551719048 /nfs/dbraw/zinc/71/90/48/551719048.db2.gz GAALCZYDNUVBMW-PMERELPUSA-N 0 0 566.576 5.713 50 30 KKEARN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)CCCC2 ZINC000001875165 551721545 /nfs/dbraw/zinc/72/15/45/551721545.db2.gz SUQYEYLFDWFGSP-UXHLAJHPSA-N 0 0 517.651 6.927 50 30 KKEARN Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001877752 551723356 /nfs/dbraw/zinc/72/33/56/551723356.db2.gz XKOXICAHSDECQU-ZQHSETAFSA-N 0 0 531.590 5.092 50 30 KKEARN Cc1ccc(S(=O)(=O)n2cc(/C=N/n3cnc4scc(-c5ccccc5)c4c3=O)c3ccccc32)cc1 ZINC000001881010 551724286 /nfs/dbraw/zinc/72/42/86/551724286.db2.gz LLRPKRKDCWXKSW-FJEPWZHXSA-N 0 0 524.627 5.507 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001882205 551724429 /nfs/dbraw/zinc/72/44/29/551724429.db2.gz BXWAYIOYWLUVCI-LYBMHKGZSA-N 0 0 535.684 7.381 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001884278 551725010 /nfs/dbraw/zinc/72/50/10/551725010.db2.gz VKEATEIEHFVTSD-UHFFFAOYSA-N 0 0 553.757 7.745 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000001885060 551725262 /nfs/dbraw/zinc/72/52/62/551725262.db2.gz VUEMOTQRKGZHKA-KBKYJPHKSA-N 0 0 530.216 7.101 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000001895515 551727524 /nfs/dbraw/zinc/72/75/24/551727524.db2.gz SGBYDYHFCZMNMH-UHFFFAOYSA-N 0 0 535.691 6.024 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001896018 551727741 /nfs/dbraw/zinc/72/77/41/551727741.db2.gz KKQRBXRWVCLQKE-UHFFFAOYSA-N 0 0 553.731 6.205 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc2sc3c(c2c1=O)CCCC3 ZINC000001896068 551728003 /nfs/dbraw/zinc/72/80/03/551728003.db2.gz XRHZDSVCTFJJGP-AWEZNQCLSA-N 0 0 510.710 5.312 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001902132 551731516 /nfs/dbraw/zinc/73/15/16/551731516.db2.gz WHLMKAUWOHWZMX-OAQYLSRUSA-N 0 0 510.729 6.314 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccc(Br)cc1 ZINC000001906366 551731894 /nfs/dbraw/zinc/73/18/94/551731894.db2.gz ASXPOSGXKIQXJL-UHFFFAOYSA-N 0 0 560.930 6.325 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906474 551732084 /nfs/dbraw/zinc/73/20/84/551732084.db2.gz HJNJYDYIQITZML-UHFFFAOYSA-N 0 0 538.142 6.860 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccc(F)cc1 ZINC000001906434 551732095 /nfs/dbraw/zinc/73/20/95/551732095.db2.gz BWHFMOFVUHCFOB-UHFFFAOYSA-N 0 0 568.021 6.721 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(C)cc1 ZINC000001906457 551732135 /nfs/dbraw/zinc/73/21/35/551732135.db2.gz GTMPEVWLBOXZJD-UHFFFAOYSA-N 0 0 529.613 6.236 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1C1CCCCC1 ZINC000001906657 551732467 /nfs/dbraw/zinc/73/24/67/551732467.db2.gz DZSYKPJKMWZETN-UHFFFAOYSA-N 0 0 522.527 6.597 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000002026059 551736430 /nfs/dbraw/zinc/73/64/30/551736430.db2.gz WNEJMDOIWKHPFQ-WNSROMTISA-N 0 0 503.642 8.094 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002030060 551736845 /nfs/dbraw/zinc/73/68/45/551736845.db2.gz NOLBOUUVEQETBV-IANOAQMISA-N 0 0 508.061 8.739 50 30 KKEARN COc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000002054389 551739422 /nfs/dbraw/zinc/73/94/22/551739422.db2.gz CCUNELBHYTXERR-WFSVGJBZSA-N 0 0 528.652 7.743 50 30 biogenic KKEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC ZINC000002059486 551741285 /nfs/dbraw/zinc/74/12/85/551741285.db2.gz CEQWZBHFUVBVET-PXNMLYILSA-N 0 0 530.145 5.516 50 30 KKEARN CCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000002060730 551742348 /nfs/dbraw/zinc/74/23/48/551742348.db2.gz KPPKJQVKNLJVFH-PZFOWHKESA-N 0 0 572.499 6.717 50 30 KKEARN C=C(C)COc1c(Cl)cc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1OCC ZINC000002060999 551742581 /nfs/dbraw/zinc/74/25/81/551742581.db2.gz OKSLQIZNZFKWOA-NVMNQCDNSA-N 0 0 523.754 5.643 50 30 KKEARN CCCCCCCCCCOC(=O)c1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000002062903 551743785 /nfs/dbraw/zinc/74/37/85/551743785.db2.gz HBHIOEFTRPSNDC-UHFFFAOYSA-N 0 0 545.290 8.398 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002062906 551743791 /nfs/dbraw/zinc/74/37/91/551743791.db2.gz XNHFOHLFCPSTMT-UHFFFAOYSA-N 0 0 545.290 8.398 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063159 551744136 /nfs/dbraw/zinc/74/41/36/551744136.db2.gz VZHCJJZCHCABDJ-BCHFMIIMSA-N 0 0 510.461 7.231 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000002063411 551744364 /nfs/dbraw/zinc/74/43/64/551744364.db2.gz WSUFQCRYVPMUSH-WJOKGBTCSA-N 0 0 528.479 9.035 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063273 551744375 /nfs/dbraw/zinc/74/43/75/551744375.db2.gz HSUCNGJQAHJWEL-NYFMKLKXSA-N 0 0 533.668 7.113 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1 ZINC000002063720 551744558 /nfs/dbraw/zinc/74/45/58/551744558.db2.gz MKAFURLMONIODB-UHFFFAOYSA-N 0 0 521.686 7.714 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1I ZINC000002066357 551745215 /nfs/dbraw/zinc/74/52/15/551745215.db2.gz CBDJHQKQLGYQOO-NRFANRHFSA-N 0 0 507.412 5.629 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000002066296 551745217 /nfs/dbraw/zinc/74/52/17/551745217.db2.gz LFOVBRIUZDRWHY-QHCPKHFHSA-N 0 0 502.449 5.938 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002068429 551746481 /nfs/dbraw/zinc/74/64/81/551746481.db2.gz LOSZCLFKQNPRHU-LYBMHKGZSA-N 0 0 535.684 7.381 50 30 KKEARN N#Cc1ccc(-c2ccc(OP3(=O)Oc4ccc5ccccc5c4-c4c(ccc5ccccc54)O3)cc2)cc1 ZINC000002070501 551746928 /nfs/dbraw/zinc/74/69/28/551746928.db2.gz OPGUSDQMKAVNLR-UHFFFAOYSA-N 0 0 525.500 9.157 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002072871 551747887 /nfs/dbraw/zinc/74/78/87/551747887.db2.gz HBWPLFWUDXKHBH-VKGTZQKMSA-N 0 0 521.610 5.036 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000002073998 551748536 /nfs/dbraw/zinc/74/85/36/551748536.db2.gz OZHOEESSFFYTHC-PPHZAIPVSA-N 0 0 510.030 6.062 50 30 KKEARN COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccc(Cl)cc2)cc1 ZINC000002074343 551749187 /nfs/dbraw/zinc/74/91/87/551749187.db2.gz DSGPLNVZZFFFAD-UHFFFAOYSA-N 0 0 536.082 6.139 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000002074440 551749303 /nfs/dbraw/zinc/74/93/03/551749303.db2.gz QMIVFSGJFHBVGS-HRFSGMKKSA-N 0 0 523.651 5.067 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000002074438 551749308 /nfs/dbraw/zinc/74/93/08/551749308.db2.gz QMIVFSGJFHBVGS-DCFHFQCYSA-N 0 0 523.651 5.067 50 30 KKEARN CCCCN1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]2(c3ccccc3)OC(=O)C(=O)C2=C1c1ccccc1 ZINC000002077695 551750341 /nfs/dbraw/zinc/75/03/41/551750341.db2.gz ROBGIQKIZIISNF-DHUJRADRSA-N 0 0 527.620 6.048 50 30 KKEARN Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)o2)c(Br)c1 ZINC000002080567 551751250 /nfs/dbraw/zinc/75/12/50/551751250.db2.gz YVIZMRCHEYNTAI-YNTCVYINSA-N 0 0 519.420 7.415 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081745 551751733 /nfs/dbraw/zinc/75/17/33/551751733.db2.gz FVHPJEAQJPNWFA-LZCFDDQJSA-N 0 0 535.463 7.111 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)c3n2)cc1 ZINC000002082960 551752750 /nfs/dbraw/zinc/75/27/50/551752750.db2.gz VWTMMPBECUXHQJ-INIZCTEOSA-N 0 0 553.610 6.760 50 30 KKEARN C=CCc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)o2)c(OC)c1 ZINC000002085332 551755100 /nfs/dbraw/zinc/75/51/00/551755100.db2.gz SGAXOSQYKCOXDF-KRWDZBQOSA-N 0 0 509.624 6.211 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(I)ccc3N[C@H]2c2cc(OC)ccc2OCC)cc1 ZINC000002085474 551755144 /nfs/dbraw/zinc/75/51/44/551755144.db2.gz RCFSFEDOOAWFFA-RUZDIDTESA-N 0 0 599.425 5.175 50 30 KKEARN C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1OCC ZINC000002085812 551755522 /nfs/dbraw/zinc/75/55/22/551755522.db2.gz FADQTHVTIZTFIY-HXUWFJFHSA-N 0 0 501.406 5.490 50 30 KKEARN 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CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000002105981 551763725 /nfs/dbraw/zinc/76/37/25/551763725.db2.gz ZMMBVPJGNLIJHD-AREMUKBSSA-N 0 0 510.030 6.095 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nc2scc(-c3ccccc3)c2c1=O ZINC000002106527 551764062 /nfs/dbraw/zinc/76/40/62/551764062.db2.gz XDOARCOSYSOPMP-UHFFFAOYSA-N 0 0 565.742 6.159 50 30 KKEARN C=CCn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002106606 551764388 /nfs/dbraw/zinc/76/43/88/551764388.db2.gz QAOXKKJJMRSFHW-OXQOHEQNSA-N 0 0 542.126 5.736 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2scc(-c3cccs3)c2c1=O ZINC000002106553 551764406 /nfs/dbraw/zinc/76/44/06/551764406.db2.gz JKRBFABDYJKKJN-UHFFFAOYSA-N 0 0 538.745 6.305 50 30 KKEARN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002107784 551764978 /nfs/dbraw/zinc/76/49/78/551764978.db2.gz PMDZSCJBRMRETH-UHFFFAOYSA-N 0 0 560.401 6.468 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c(C#N)c1-c1ccc(F)cc1 ZINC000002108088 551765153 /nfs/dbraw/zinc/76/51/53/551765153.db2.gz CKURKTINLJWWNY-UHFFFAOYSA-N 0 0 519.645 8.400 50 30 KKEARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4cccc(OCC(C)C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108304 551765463 /nfs/dbraw/zinc/76/54/63/551765463.db2.gz HNVQLEBTZWFSNR-QHCPKHFHSA-N 0 0 573.762 9.611 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000002111725 551767616 /nfs/dbraw/zinc/76/76/16/551767616.db2.gz WXFJVHDTIKUDMZ-SANMLTNESA-N 0 0 524.455 6.176 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000002112027 551767881 /nfs/dbraw/zinc/76/78/81/551767881.db2.gz QEXYECYBHWJWMS-MHZLTWQESA-N 0 0 524.126 7.416 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000002112052 551767913 /nfs/dbraw/zinc/76/79/13/551767913.db2.gz YGQVAIDUEXBWGL-MHZLTWQESA-N 0 0 552.509 6.812 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Br)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002113648 551768473 /nfs/dbraw/zinc/76/84/73/551768473.db2.gz MZGFITWQTCKTMW-JOCHJYFZSA-N 0 0 561.845 5.602 50 30 KKEARN CC(=O)Oc1c(Br)cc(/C=C2/N=C(SCc3ccccc3Cl)SC2=O)cc1Br ZINC000002114257 551768891 /nfs/dbraw/zinc/76/88/91/551768891.db2.gz GLVKTZRFDASLJD-LZYBPNLTSA-N 0 0 561.704 6.694 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000002119826 551770106 /nfs/dbraw/zinc/77/01/06/551770106.db2.gz KQNDSLDUTFZJOS-SXGWCWSVSA-N 0 0 579.257 7.201 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000002123967 551771435 /nfs/dbraw/zinc/77/14/35/551771435.db2.gz CIFRKAZWMGORSU-UHFFFAOYSA-N 0 0 595.567 7.635 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002123963 551771479 /nfs/dbraw/zinc/77/14/79/551771479.db2.gz HOLUCWIQGHAZMH-UHFFFAOYSA-N 0 0 561.122 6.981 50 30 KKEARN 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MBMJYMCSICSGEM-UHFFFAOYSA-N 0 0 543.645 5.311 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc4c(c3)OCO4)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002890800 552211483 /nfs/dbraw/zinc/21/14/83/552211483.db2.gz ZZUXQJGYTBTLAP-UHFFFAOYSA-N 0 0 500.576 5.488 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nnc1-c1cc(Br)ccc1O ZINC000002891170 552211725 /nfs/dbraw/zinc/21/17/25/552211725.db2.gz FJELAHLNKFDPEQ-UHFFFAOYSA-N 0 0 529.338 5.229 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002911410 552214656 /nfs/dbraw/zinc/21/46/56/552214656.db2.gz OZXCEZGOBFFHKX-UHFFFAOYSA-N 0 0 585.575 7.815 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000002923369 552222133 /nfs/dbraw/zinc/22/21/33/552222133.db2.gz LPRMRXRCKUPTRY-ZTOMLWHTSA-N 0 0 533.621 5.334 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000002925148 552222511 /nfs/dbraw/zinc/22/25/11/552222511.db2.gz UMHJYYJRRFWNON-QYBDOPJKSA-N 0 0 570.480 5.877 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002925781 552223649 /nfs/dbraw/zinc/22/36/49/552223649.db2.gz UWDIUZFHZKBKAN-JRYPVQGPSA-N 0 0 569.701 7.413 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926114 552224215 /nfs/dbraw/zinc/22/42/15/552224215.db2.gz NHOYONUDLMVMLP-ZTOMLWHTSA-N 0 0 548.466 6.977 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000002926688 552224416 /nfs/dbraw/zinc/22/44/16/552224416.db2.gz AQRKGYDGYZKOAM-KDYSTLNUSA-N 0 0 525.114 6.064 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002927386 552224833 /nfs/dbraw/zinc/22/48/33/552224833.db2.gz FCSHXNXBXVJKQS-CLOONOSVSA-N 0 0 500.422 5.935 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002927162 552224864 /nfs/dbraw/zinc/22/48/64/552224864.db2.gz YZGUKALYVHZALZ-XHCCPWGMSA-N 0 0 510.461 7.231 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc2ccccc21 ZINC000002927650 552225123 /nfs/dbraw/zinc/22/51/23/552225123.db2.gz XPDOTZOSMMGQHT-YUDQIZAISA-N 0 0 511.618 5.790 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002927720 552225193 /nfs/dbraw/zinc/22/51/93/552225193.db2.gz FNKHDHDZRLJJRX-AVRWGWEMSA-N 0 0 534.867 6.588 50 30 KKEARN C=CCn1c(SCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)nnc1-c1ccncc1 ZINC000002951777 552229465 /nfs/dbraw/zinc/22/94/65/552229465.db2.gz DMYCYXPYRNMSNV-PMERELPUSA-N 0 0 509.679 6.140 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000002955236 552230431 /nfs/dbraw/zinc/23/04/31/552230431.db2.gz TZFCROAPNSESAL-RUZDIDTESA-N 0 0 542.426 5.056 50 30 KKEARN C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 ZINC000002962213 552234234 /nfs/dbraw/zinc/23/42/34/552234234.db2.gz FZGGTNUQDDYZGL-UHFFFAOYSA-N 0 0 532.090 6.624 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cc2ccccc2cc1O ZINC000003001812 552252246 /nfs/dbraw/zinc/25/22/46/552252246.db2.gz NTZCNQFWCDALSF-UHFFFAOYSA-N 0 0 509.429 5.792 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1Sc1cccc(C(F)(F)F)c1 ZINC000003028586 552267678 /nfs/dbraw/zinc/26/76/78/552267678.db2.gz MVBPSHUQQZGVTQ-LUOAPIJWSA-N 0 0 501.313 7.622 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1Cl ZINC000003041546 552273219 /nfs/dbraw/zinc/27/32/19/552273219.db2.gz URHRAERUKZMUFS-HFTWOUSFSA-N 0 0 503.386 5.379 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003041836 552273226 /nfs/dbraw/zinc/27/32/26/552273226.db2.gz QRVBMGUBLQHDHU-UHFFFAOYSA-N 0 0 552.314 7.247 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003043976 552274575 /nfs/dbraw/zinc/27/45/75/552274575.db2.gz ROJMJDDDJHHTQJ-NFFVHWSESA-N 0 0 507.457 5.557 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000003043946 552274694 /nfs/dbraw/zinc/27/46/94/552274694.db2.gz NMXUTJWTNHBXTC-NFFVHWSESA-N 0 0 507.457 5.557 50 30 KKEARN COc1cccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccc(C)cc3)C2=O)c1 ZINC000003043938 552274697 /nfs/dbraw/zinc/27/46/97/552274697.db2.gz QTPNCNYADSHLAY-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccc(Br)cc21 ZINC000003044044 552274880 /nfs/dbraw/zinc/27/48/80/552274880.db2.gz CJZKUKPCYVZVED-SLMZUGIISA-N 0 0 511.420 5.388 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 ZINC000003044029 552274897 /nfs/dbraw/zinc/27/48/97/552274897.db2.gz QJLWZTDCIJYCBT-MEFGMAGPSA-N 0 0 513.848 5.648 50 30 KKEARN Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 ZINC000003044341 552275404 /nfs/dbraw/zinc/27/54/04/552275404.db2.gz ZZBDEHQFFRXGCR-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000003044294 552275429 /nfs/dbraw/zinc/27/54/29/552275429.db2.gz CYGFGGVUISRYQY-IADYIPOJSA-N 0 0 561.864 5.796 50 30 KKEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccc(Cl)cc2Cl)c1SCc1ccc(C(C)(C)C)cc1 ZINC000003052509 552278817 /nfs/dbraw/zinc/27/88/17/552278817.db2.gz BTBINTMCCWJZFW-PNQUVVCRSA-N 0 0 544.426 7.526 50 30 KKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000003080004 552285527 /nfs/dbraw/zinc/28/55/27/552285527.db2.gz FLHXNQCIKHYLIA-FDAWAROLSA-N 0 0 536.544 8.152 50 30 KKEARN CCOc1ccc(/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2OC(=O)c2ccc(OC)cc2)cc1 ZINC000003082607 552285574 /nfs/dbraw/zinc/28/55/74/552285574.db2.gz QLPHDTUBZGDTPH-UZWMFBFFSA-N 0 0 525.557 6.292 50 30 KKEARN COc1ccc(Br)cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc(Br)ccc3OC)cc2)cc1 ZINC000003086523 552286027 /nfs/dbraw/zinc/28/60/27/552286027.db2.gz SFAPXPCIQANJDF-XYHIKERESA-N 0 0 592.331 8.321 50 30 KKEARN COc1ccc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1Br ZINC000003088001 552286317 /nfs/dbraw/zinc/28/63/17/552286317.db2.gz SHJLGIRVMSOHDV-WYMPLXKRSA-N 0 0 533.163 6.621 50 30 KKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3C(=O)Oc3cccc(/C=N/c4ccc(C)c(C)c4)c3)cc2)cc1C ZINC000003088320 552286320 /nfs/dbraw/zinc/28/63/20/552286320.db2.gz JICLFMUMIPWWAU-DBMXBCQFSA-N 0 0 580.684 8.860 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(I)cc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000003089332 552286373 /nfs/dbraw/zinc/28/63/73/552286373.db2.gz RJUWHJFNTXFWIG-BHGWPJFGSA-N 0 0 541.128 6.476 50 30 KKEARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC1=NC(=S)N(c2ccc(F)c(Cl)c2)C12CCCCC2 ZINC000003090145 552286721 /nfs/dbraw/zinc/28/67/21/552286721.db2.gz GGONIXQBEOBJIK-ZRGXPQFDSA-N 0 0 552.974 8.710 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NCCc1ccccc1 ZINC000003094829 552287253 /nfs/dbraw/zinc/28/72/53/552287253.db2.gz KXHKSGBRJOIMSJ-CCVNUDIWSA-N 0 0 500.476 6.805 50 30 KKEARN O=C(C=CNc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1)c1ccc(F)cc1 ZINC000003104292 552288659 /nfs/dbraw/zinc/28/86/59/552288659.db2.gz PYCQPIBEASGPEG-MDZDMXLPSA-N 0 0 504.915 6.028 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)ccc1Br ZINC000003112988 552289876 /nfs/dbraw/zinc/28/98/76/552289876.db2.gz AYMWMYNOGZRFBV-FOKLQQMPSA-N 0 0 501.134 6.679 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc3nc(-c4ccc(Br)cc4)oc3c2)ccc1Br ZINC000003113285 552289892 /nfs/dbraw/zinc/28/98/92/552289892.db2.gz YIOODLBXSFRCQE-FOKLQQMPSA-N 0 0 501.134 6.679 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1)c1ccc(Br)cc1 ZINC000003116361 552290415 /nfs/dbraw/zinc/29/04/15/552290415.db2.gz SLAORLDFCIJCJS-IBBHUPRXSA-N 0 0 566.238 8.534 50 30 KKEARN CC(C)(C)c1ccc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(I)cc2)cc1 ZINC000003117724 552290639 /nfs/dbraw/zinc/29/06/39/552290639.db2.gz UNHOXLDJEALJQA-FSJBWODESA-N 0 0 513.343 5.105 50 30 KKEARN COc1ccc(/C=C2\C(=O)c3c(cccc3Oc3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2)cc1OC ZINC000003133534 552292798 /nfs/dbraw/zinc/29/27/98/552292798.db2.gz LQOZGICGXQYVAO-NKLXDWDJSA-N 0 0 516.515 7.927 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000003135484 552293288 /nfs/dbraw/zinc/29/32/88/552293288.db2.gz QEMFXUAIKFRDHX-UHFFFAOYSA-N 0 0 550.381 8.031 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1O ZINC000003139355 552294189 /nfs/dbraw/zinc/29/41/89/552294189.db2.gz ZOPUFVXDQXSOTC-UVHMKAGCSA-N 0 0 543.211 6.840 50 30 KKEARN CC(=O)Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(C)=O)c4)c(F)c3F)c(F)c2F)c1 ZINC000003143325 552295946 /nfs/dbraw/zinc/29/59/46/552295946.db2.gz JCSAPWMFMNOCRP-UHFFFAOYSA-N 0 0 596.430 7.968 50 30 KKEARN Oc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(O)c4)c(F)c3F)c(F)c2F)c1 ZINC000003143302 552295963 /nfs/dbraw/zinc/29/59/63/552295963.db2.gz CLLLUFIWBSKWBF-UHFFFAOYSA-N 0 0 514.324 7.462 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2cc(/N=C/c3ccc([N+](=O)[O-])cc3)c(OCC(F)(F)F)cc2OCC(F)(F)F)cc1 ZINC000003143596 552296165 /nfs/dbraw/zinc/29/61/65/552296165.db2.gz FFHQWJRGHCUGRG-PHBQLMGTSA-N 0 0 570.402 6.886 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000003145908 552297113 /nfs/dbraw/zinc/29/71/13/552297113.db2.gz RYWDAGZKIZXCAH-POAOKBCDSA-N 0 0 519.420 6.489 50 30 KKEARN N#Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003166195 552298344 /nfs/dbraw/zinc/29/83/44/552298344.db2.gz GXRORZZPJIDRFA-UHFFFAOYSA-N 0 0 542.639 6.824 50 30 KKEARN O=C(Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 ZINC000003180405 552300264 /nfs/dbraw/zinc/30/02/64/552300264.db2.gz XVMNNBOVELTWFW-UHFFFAOYSA-N 0 0 575.480 7.773 50 30 KKEARN Nc1ccc(Oc2ccc3nc(-c4ccc(C#Cc5ccccc5)cc4)c(-c4ccc(C#Cc5ccccc5)cc4)nc3c2)cc1 ZINC000003188728 552301860 /nfs/dbraw/zinc/30/18/60/552301860.db2.gz BWXMEFFJUOROBQ-UHFFFAOYSA-N 0 0 589.698 9.138 50 30 KKEARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003196666 552303300 /nfs/dbraw/zinc/30/33/00/552303300.db2.gz TWHJDJKEPRWAHD-UHFFFAOYSA-N 0 0 560.378 5.928 50 30 KKEARN O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003211331 552305454 /nfs/dbraw/zinc/30/54/54/552305454.db2.gz MWSKKDSXBABVHB-UHFFFAOYSA-N 0 0 528.699 6.454 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(C(=O)C2=C(N3CCCCC3)/C(=C/c3ccc(Cl)cc3)CC2)c1 ZINC000003217837 552308353 /nfs/dbraw/zinc/30/83/53/552308353.db2.gz BMPJKIQZDBTGDM-ZBJSNUHESA-N 0 0 513.103 6.171 50 30 KKEARN COc1ccccc1C(=O)OC(c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1)(C(F)(F)F)C(F)(F)F ZINC000003219120 552308978 /nfs/dbraw/zinc/30/89/78/552308978.db2.gz OUAWLCCLYWFTCH-UHFFFAOYSA-N 0 0 563.397 6.726 50 30 KKEARN N#CCCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003222018 552310775 /nfs/dbraw/zinc/31/07/75/552310775.db2.gz AAJVNZDYUUIBKM-UHFFFAOYSA-N 0 0 542.970 6.097 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)n2C[C@@H]2CCCO2)cc1 ZINC000003223218 552311415 /nfs/dbraw/zinc/31/14/15/552311415.db2.gz PXVFYCMAMILNMQ-LWROZRRASA-N 0 0 504.656 5.105 50 30 KKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000003235961 552317119 /nfs/dbraw/zinc/31/71/19/552317119.db2.gz SMDGDHHODCBBBK-UHFFFAOYSA-N 0 0 567.070 6.053 50 30 KKEARN COc1cc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)cc(OC)c1OC ZINC000003238801 552317670 /nfs/dbraw/zinc/31/76/70/552317670.db2.gz ODEWHWYXXVHJAH-UHFFFAOYSA-N 0 0 531.952 5.248 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)n1-c1ccccc1)CCC4)CCCCC2 ZINC000003243744 552319685 /nfs/dbraw/zinc/31/96/85/552319685.db2.gz UBIOUKCZOJYJRM-UHFFFAOYSA-N 0 0 532.716 5.869 50 30 KKEARN CCCCCCCCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2 ZINC000003246514 552320706 /nfs/dbraw/zinc/32/07/06/552320706.db2.gz CCGORVGFNXHKAG-UHFFFAOYSA-N 0 0 548.196 8.699 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000003261823 552326514 /nfs/dbraw/zinc/32/65/14/552326514.db2.gz CTZQQWSSJIYKNN-UHFFFAOYSA-N 0 0 598.848 5.732 50 30 KKEARN Cc1c(Cl)cccc1-n1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nnc1-c1ccncc1 ZINC000003264895 552328050 /nfs/dbraw/zinc/32/80/50/552328050.db2.gz XVVWVRDYCNLKOR-PCLIKHOPSA-N 0 0 516.070 6.264 50 30 KKEARN O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 ZINC000003265851 552328584 /nfs/dbraw/zinc/32/85/84/552328584.db2.gz YHNKBPOLDRAYLH-UHFFFAOYSA-N 0 0 529.127 6.530 50 30 KKEARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)C=C2N(C)c4ccccc4C2(C)C)sc2c3CCCC2)c(C)c1 ZINC000003271215 552332025 /nfs/dbraw/zinc/33/20/25/552332025.db2.gz CNTDSGRCEZKDHD-WPWMEQJKSA-N 0 0 555.769 6.916 50 30 KKEARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)C=C2N(C)c4ccccc4C2(C)C)sc2c3CCCC2)c(C)c1 ZINC000003271216 552332122 /nfs/dbraw/zinc/33/21/22/552332122.db2.gz CNTDSGRCEZKDHD-PKAZHMFMSA-N 0 0 555.769 6.916 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000003272935 552332534 /nfs/dbraw/zinc/33/25/34/552332534.db2.gz ADACNLVUMYVZQQ-KRWDZBQOSA-N 0 0 563.459 5.567 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000003278313 552334902 /nfs/dbraw/zinc/33/49/02/552334902.db2.gz NQAZOEPJEFHXLK-UHFFFAOYSA-N 0 0 506.587 5.907 50 30 KKEARN COc1cc(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000003287576 552338444 /nfs/dbraw/zinc/33/84/44/552338444.db2.gz GTCGVSHRKJRCGA-JVWAILMASA-N 0 0 593.474 5.513 50 30 KKEARN N#Cc1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2Cl)sc2c1CCCCC2 ZINC000003293420 552341502 /nfs/dbraw/zinc/34/15/02/552341502.db2.gz ZVQGZLAHWXXUJA-UHFFFAOYSA-N 0 0 520.463 6.249 50 30 KKEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000003298864 552344945 /nfs/dbraw/zinc/34/49/45/552344945.db2.gz JFDGORYYPFFTDF-UHFFFAOYSA-N 0 0 555.443 5.295 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003306295 552349214 /nfs/dbraw/zinc/34/92/14/552349214.db2.gz QLMNBVUSGCVUMF-RUZDIDTESA-N 0 0 549.014 6.548 50 30 KKEARN COc1cc(/C=C(/C(=O)OCC(=O)Nc2ccc(C#N)cc2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000003308289 552349981 /nfs/dbraw/zinc/34/99/81/552349981.db2.gz FISMEKINTSAZJN-OGLMXYFKSA-N 0 0 548.595 5.974 50 30 KKEARN C=CCN(C(=O)CSc1nc(C)cc(-c2ccccc2)n1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003310851 552351748 /nfs/dbraw/zinc/35/17/48/552351748.db2.gz JCFMMLVMXSTNRF-UHFFFAOYSA-N 0 0 503.609 5.795 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCc1nc(=O)c3c(-c4ccccc4)csc3[nH]1)sc1c2CCC1 ZINC000003326260 552357373 /nfs/dbraw/zinc/35/73/73/552357373.db2.gz WWHXQEYHQYSDLX-UHFFFAOYSA-N 0 0 504.662 5.390 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1 ZINC000003341153 552363029 /nfs/dbraw/zinc/36/30/29/552363029.db2.gz FWIPEOBRPHRQGH-UHFFFAOYSA-N 0 0 547.460 5.190 50 30 KKEARN CCOC(=O)c1nn(-c2ccccc2)c2c1[C@@](c1ccc(OC)cc1)(C(F)(F)F)N=C(Nc1ccc(C)cc1)O2 ZINC000003345073 552364512 /nfs/dbraw/zinc/36/45/12/552364512.db2.gz QVVNFAOIIDBTBU-NDEPHWFRSA-N 0 0 550.537 5.842 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1 ZINC000003349314 552366545 /nfs/dbraw/zinc/36/65/45/552366545.db2.gz DQZUKOKARRUYNU-UHFFFAOYSA-N 0 0 546.472 6.340 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3cc(Br)c(Br)s3)sc2C1 ZINC000003362589 552371933 /nfs/dbraw/zinc/37/19/33/552371933.db2.gz SAVQLCJNHFJSLD-QMMMGPOBSA-N 0 0 518.252 5.127 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000003390683 552379182 /nfs/dbraw/zinc/37/91/82/552379182.db2.gz PNCJPKDJXYFFSP-UHFFFAOYSA-N 0 0 555.386 5.448 50 30 KKEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1cc(-c3ccc(Cl)s3)nc3ccccc31)CCCCC2 ZINC000003392937 552379570 /nfs/dbraw/zinc/37/95/70/552379570.db2.gz BVHYTWPTNIZTKF-UHFFFAOYSA-N 0 0 522.051 6.614 50 30 KKEARN CCCCCCCOc1ccc(-c2ccc(-c3noc(-c4c(C)onc4-c4ccccc4Cl)n3)cc2)cc1 ZINC000003584689 552391583 /nfs/dbraw/zinc/39/15/83/552391583.db2.gz RZBJNYBPCNVSMK-UHFFFAOYSA-N 0 0 528.052 9.037 50 30 KKEARN Cc1cccc(C)c1NC(=S)N/N=C1\c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O ZINC000003587901 552391811 /nfs/dbraw/zinc/39/18/11/552391811.db2.gz BOZWGEPHNSPNHY-VEWQFJOQSA-N 0 0 511.695 5.253 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(F)cc1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000003629154 552396181 /nfs/dbraw/zinc/39/61/81/552396181.db2.gz RJEDTZPYELLCAQ-XMMPIXPASA-N 0 0 508.899 5.196 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc6c(c5)OCO6)cc(C(F)(F)F)n4n3)sc2C1 ZINC000003629454 552396271 /nfs/dbraw/zinc/39/62/71/552396271.db2.gz AKYOYLCLJFKLBW-HNNXBMFYSA-N 0 0 567.593 6.480 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1 ZINC000003633840 552398689 /nfs/dbraw/zinc/39/86/89/552398689.db2.gz KYZZXGOAPNDQRM-WJOKGBTCSA-N 0 0 503.598 7.377 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000003633746 552398729 /nfs/dbraw/zinc/39/87/29/552398729.db2.gz PKTZHFMJLXSBRN-PMERELPUSA-N 0 0 583.482 7.535 50 30 KKEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000003643480 552400700 /nfs/dbraw/zinc/40/07/00/552400700.db2.gz RPIKWXJPFLGWSE-NRFANRHFSA-N 0 0 502.548 5.049 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000003643591 552400924 /nfs/dbraw/zinc/40/09/24/552400924.db2.gz XFOWRRNRZMUCMV-JOCHJYFZSA-N 0 0 500.576 5.774 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2sc3c(c2c1=O)CCCCC3 ZINC000003655240 552404054 /nfs/dbraw/zinc/40/40/54/552404054.db2.gz AJKPDTQJGOMJCG-UHFFFAOYSA-N 0 0 523.709 5.471 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000003655245 552404280 /nfs/dbraw/zinc/40/42/80/552404280.db2.gz QUVHDAAWHIESCW-UHFFFAOYSA-N 0 0 535.676 5.770 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)Nc1ccccc1F ZINC000003663921 552408117 /nfs/dbraw/zinc/40/81/17/552408117.db2.gz IMPBJWAYHLPYDN-OPEKNORGSA-N 0 0 563.417 6.227 50 30 KKEARN CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5ccccc5O)cc4s3)cc2s1 ZINC000003666209 552409023 /nfs/dbraw/zinc/40/90/23/552409023.db2.gz OAWFVBBFZXKRNW-BRJLIKDPSA-N 0 0 522.702 6.815 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3ccc(I)cc3)sc2c1 ZINC000003667017 552409508 /nfs/dbraw/zinc/40/95/08/552409508.db2.gz MDRTYWSCOTZKHP-MZJWZYIUSA-N 0 0 552.462 7.803 50 30 KKEARN O=C1c2ccccc2C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000003668103 552409726 /nfs/dbraw/zinc/40/97/26/552409726.db2.gz IEBPVDFKJSPYMV-UHFFFAOYSA-N 0 0 530.421 8.036 50 30 KKEARN Cc1cc(C)nc(N=C(NCc2ccccc2Cl)NS(=O)(=O)c2c(C)c(Cl)c(C)nc2Cl)n1 ZINC000003669834 552410903 /nfs/dbraw/zinc/41/09/03/552410903.db2.gz WQMUIQQYYZNRFO-UHFFFAOYSA-N 0 0 527.865 5.012 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003764219 552413769 /nfs/dbraw/zinc/41/37/69/552413769.db2.gz UDBDRYYBDFITQJ-UHFFFAOYSA-N 0 0 564.136 6.708 50 30 KKEARN C#CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000003768890 552415367 /nfs/dbraw/zinc/41/53/67/552415367.db2.gz VMVWMWVBVXXZSM-RQZCQDPDSA-N 0 0 559.809 5.510 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000003892706 552421986 /nfs/dbraw/zinc/42/19/86/552421986.db2.gz QACJBSMKPIASHM-PMERELPUSA-N 0 0 532.596 6.526 50 30 KKEARN Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(C(=O)NO)c1 ZINC000003924227 552422509 /nfs/dbraw/zinc/42/25/09/552422509.db2.gz FARMEEAGJWMFSZ-UHFFFAOYSA-N 0 0 613.692 5.373 50 30 in-vitro KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000003979674 552424433 /nfs/dbraw/zinc/42/44/33/552424433.db2.gz NMAPYGWAJXLQLW-HHHXNRCGSA-N 0 0 538.625 6.378 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000003979908 552424439 /nfs/dbraw/zinc/42/44/39/552424439.db2.gz XYUSAYVYKYAJDR-HKBQPEDESA-N 0 0 549.623 6.591 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000003979647 552424462 /nfs/dbraw/zinc/42/44/62/552424462.db2.gz OFYMCZPFJIDRBI-WJOKGBTCSA-N 0 0 548.639 6.996 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5[nH]c6ccccc6c5C[C@@]34C)[C@@H]2C1 ZINC000004011509 552425786 /nfs/dbraw/zinc/42/57/86/552425786.db2.gz OBFXFIRRJYJXQD-TXOQIPPZSA-N 0 0 555.803 8.335 50 30 biogenic KKEARN CCCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)c(O)c1 ZINC000004016063 552427035 /nfs/dbraw/zinc/42/70/35/552427035.db2.gz WFZMHTNXSRJPOE-JGCGQSQUSA-N 0 0 598.788 8.859 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)ccc1OCC#N ZINC000004044974 552430532 /nfs/dbraw/zinc/43/05/32/552430532.db2.gz AGFKDNKFMGETJT-PPOKSSTKSA-N 0 0 562.678 5.740 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)c(OCc4ccccc4)c(OC)c3)nc(NCc3ccco3)n2)cc1 ZINC000004044883 552430554 /nfs/dbraw/zinc/43/05/54/552430554.db2.gz PVAKMNKBECVKHX-ATZGPIRCSA-N 0 0 630.503 6.625 50 30 KKEARN Clc1ccc(Sc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000004046275 552430893 /nfs/dbraw/zinc/43/08/93/552430893.db2.gz IXXYQQFVJJDHKQ-VUTHCHCSSA-N 0 0 516.074 6.856 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000004046061 552430901 /nfs/dbraw/zinc/43/09/01/552430901.db2.gz LFGLALNIFBTZBB-YTTGMZPUSA-N 0 0 545.595 7.730 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004046878 552431131 /nfs/dbraw/zinc/43/11/31/552431131.db2.gz VZYHJVWPCSXMQG-OUTSHDOLSA-N 0 0 502.655 5.474 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc4ccccc4c2[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000004047753 552431435 /nfs/dbraw/zinc/43/14/35/552431435.db2.gz DWPOZSJVSMWDLS-MMTVBGGISA-N 0 0 500.425 8.113 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004048228 552431636 /nfs/dbraw/zinc/43/16/36/552431636.db2.gz AUUWJWBPKMUJBH-JPQMRUPTSA-N 0 0 507.033 7.899 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004064851 552432098 /nfs/dbraw/zinc/43/20/98/552432098.db2.gz ULBHKGVKJGMYAV-JQJBXXCASA-N 0 0 502.614 7.254 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067426 552432623 /nfs/dbraw/zinc/43/26/23/552432623.db2.gz IZMCAKRLTWYODX-XMMPIXPASA-N 0 0 540.454 5.901 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004067302 552432644 /nfs/dbraw/zinc/43/26/44/552432644.db2.gz RZLPPAQAYYZHPB-MUUNZHRXSA-N 0 0 503.639 6.092 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067569 552432944 /nfs/dbraw/zinc/43/29/44/552432944.db2.gz RSJRVPDBZHQCFT-MMTVBGGISA-N 0 0 580.519 6.791 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067576 552432950 /nfs/dbraw/zinc/43/29/50/552432950.db2.gz SMBAHXCBDFRXKJ-WAIKUNEKSA-N 0 0 512.400 5.088 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004067814 552432968 /nfs/dbraw/zinc/43/29/68/552432968.db2.gz WFHOTQAGTMXRSX-VOIUYBSRSA-N 0 0 542.426 5.097 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000004067769 552433015 /nfs/dbraw/zinc/43/30/15/552433015.db2.gz RSUQDEWSBQLXBU-DEOSSOPVSA-N 0 0 542.426 5.273 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004067846 552433205 /nfs/dbraw/zinc/43/32/05/552433205.db2.gz AQLAIWANRXAKMY-VVFBEHOQSA-N 0 0 523.629 6.069 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068296 552433298 /nfs/dbraw/zinc/43/32/98/552433298.db2.gz 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/nfs/dbraw/zinc/43/41/97/552434197.db2.gz ALCGKBUQGAOIMO-DNOBIOAJSA-N 0 0 510.512 6.582 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C)c(C)c3)N(CCc3ccccc3)C1=O)S2 ZINC000004092327 552435854 /nfs/dbraw/zinc/43/58/54/552435854.db2.gz ZWSLUEQCSDMRBI-BZUZNSEFSA-N 0 0 501.677 6.529 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C)cc3C)N(CCc3ccccc3)C1=O)S2 ZINC000004092329 552435865 /nfs/dbraw/zinc/43/58/65/552435865.db2.gz QLQBEXOMYQXJEV-BZUZNSEFSA-N 0 0 501.677 6.529 50 30 KKEARN CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O ZINC000004097413 552436167 /nfs/dbraw/zinc/43/61/67/552436167.db2.gz IWBJJCOKGLUQIZ-HQKKAZOISA-N 0 0 536.797 8.990 50 30 biogenic,world KKEARN O=[N+]([O-])c1ccc(Cn2cc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)c3ccccc32)cc1 ZINC000004106419 552436910 /nfs/dbraw/zinc/43/69/10/552436910.db2.gz ZPAJFTRCPZEXQI-LODFRUGASA-N 0 0 510.369 6.619 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2ccc(F)cc2)cc1Cl 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ZINC000004124791 552441868 /nfs/dbraw/zinc/44/18/68/552441868.db2.gz FHGJQDVIIKYKSK-DFQBUENJSA-N 0 0 533.631 5.756 50 30 KKEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000004181263 552446691 /nfs/dbraw/zinc/44/66/91/552446691.db2.gz CNCMZGOARVRTCV-VFLNYLIXSA-N 0 0 501.486 6.977 50 30 KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 ZINC000004196363 552448133 /nfs/dbraw/zinc/44/81/33/552448133.db2.gz HGSCRTWJYQOWED-UXHLAJHPSA-N 0 0 505.387 7.348 50 30 KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 ZINC000004196387 552448178 /nfs/dbraw/zinc/44/81/78/552448178.db2.gz NMQZBWBMLRIZBV-NDZAJKAJSA-N 0 0 501.424 7.517 50 30 KKEARN S=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)NC1CCCCC1 ZINC000004282774 552456167 /nfs/dbraw/zinc/45/61/67/552456167.db2.gz BZCULDIKDOCQDJ-AJBULDERSA-N 0 0 509.679 6.249 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000004512523 552462092 /nfs/dbraw/zinc/46/20/92/552462092.db2.gz UOIFABQTTWNQJA-QIBWZKJESA-N 0 0 559.518 8.998 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004531508 552463400 /nfs/dbraw/zinc/46/34/00/552463400.db2.gz GBJXNJYFFXVPQP-LEYWGUNPSA-N 0 0 658.578 7.742 50 30 KKEARN N#C[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004531600 552463632 /nfs/dbraw/zinc/46/36/32/552463632.db2.gz ZJAFYEZEUCNYCN-TXTSNRKZSA-N 0 0 602.561 9.113 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004546276 552465681 /nfs/dbraw/zinc/46/56/81/552465681.db2.gz UTIKFJUWPWYULH-NPUCQUEHSA-N 0 0 684.619 9.641 50 30 KKEARN Oc1ccc(Br)cc1/C=N\c1ccccc1OCCOc1ccccc1/N=C\c1cc(Br)ccc1O ZINC000004577412 552468716 /nfs/dbraw/zinc/46/87/16/552468716.db2.gz VVKIOXHCCYJNIZ-KUUUIRGPSA-N 0 0 610.302 7.582 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 ZINC000004628948 552469122 /nfs/dbraw/zinc/46/91/22/552469122.db2.gz GEKMZCFRULZIGM-HXUWFJFHSA-N 0 0 517.767 5.012 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004637079 552469833 /nfs/dbraw/zinc/46/98/33/552469833.db2.gz XSXXEPJOUHVKAU-KCWXNJEJSA-N 0 0 513.588 6.031 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788190 552482642 /nfs/dbraw/zinc/48/26/42/552482642.db2.gz KLOOPGODGRKKKM-XDCSYDRFSA-N 0 0 595.740 6.559 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004788226 552482646 /nfs/dbraw/zinc/48/26/46/552482646.db2.gz NWEYUORBMKDAQU-JPQMRUPTSA-N 0 0 567.686 5.779 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[nH]c(SCc3cccc([N+](=O)[O-])c3)nc1N2 ZINC000004793708 552485514 /nfs/dbraw/zinc/48/55/14/552485514.db2.gz 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N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC(=O)NCc1ccccc1 ZINC000008406036 553007282 /nfs/dbraw/zinc/00/72/82/553007282.db2.gz ZCEFTEJFLDRJNR-UHFFFAOYSA-N 0 0 514.448 6.458 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3I)c2C#N)cc1 ZINC000008406027 553007291 /nfs/dbraw/zinc/00/72/91/553007291.db2.gz CJCCNOVTTHMXNH-UHFFFAOYSA-N 0 0 577.447 6.631 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cc(F)c(F)cc1Cl ZINC000008405886 553007294 /nfs/dbraw/zinc/00/72/94/553007294.db2.gz LPQLEFGUDLIGME-PUHLOBNQSA-N 0 0 644.466 6.019 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000008406709 553007389 /nfs/dbraw/zinc/00/73/89/553007389.db2.gz JIUCMOFQPPNNPR-CIBILLSESA-N 0 0 519.000 6.302 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc5c(c4)oc4ccccc45)sc3c2)cc1 ZINC000008407412 553008129 /nfs/dbraw/zinc/00/81/29/553008129.db2.gz GQKYYAWUWBEJOQ-UHFFFAOYSA-N 0 0 665.881 10.698 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000008407581 553008573 /nfs/dbraw/zinc/00/85/73/553008573.db2.gz SGSDCUMDGYSAFY-WITODYBWSA-N 0 0 506.627 7.391 50 30 KKEARN Clc1ccc(OCc2ccccc2Cl)c(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c1 ZINC000008407609 553008633 /nfs/dbraw/zinc/00/86/33/553008633.db2.gz CBDMTYVPGPUVRD-STBIYBPSSA-N 0 0 511.457 6.009 50 30 KKEARN Cc1cccc(OCCOc2ccc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)cc2)c1 ZINC000008407630 553008815 /nfs/dbraw/zinc/00/88/15/553008815.db2.gz SEDMASKDGNYUHQ-UQRQXUALSA-N 0 0 514.674 5.669 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)ccc1OC(=O)c1cccs1 ZINC000008407762 553008826 /nfs/dbraw/zinc/00/88/26/553008826.db2.gz WHAKKCNVXHNXHU-TURZUDJPSA-N 0 0 520.659 5.193 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000008413419 553010170 /nfs/dbraw/zinc/01/01/70/553010170.db2.gz QXRBJAWBGQOLFF-QHCPKHFHSA-N 0 0 526.431 5.104 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008413543 553010346 /nfs/dbraw/zinc/01/03/46/553010346.db2.gz IIUPCVBQLSHZBF-QHCPKHFHSA-N 0 0 510.432 5.486 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000008414795 553010493 /nfs/dbraw/zinc/01/04/93/553010493.db2.gz RZWHHYHSMJHGIB-HSZRJFAPSA-N 0 0 520.935 5.983 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000008414835 553010514 /nfs/dbraw/zinc/01/05/14/553010514.db2.gz BRGWDOLJCWLOIX-SONOPUAISA-N 0 0 597.033 7.376 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000008414985 553010885 /nfs/dbraw/zinc/01/08/85/553010885.db2.gz NZCCEYRIOMNUCB-WHLCRQNOSA-N 0 0 500.545 5.974 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000008414971 553010917 /nfs/dbraw/zinc/01/09/17/553010917.db2.gz NZCCEYRIOMNUCB-VKGTZQKMSA-N 0 0 500.545 5.974 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000008415007 553010918 /nfs/dbraw/zinc/01/09/18/553010918.db2.gz QIACYQXKJWAVDE-MMTVBGGISA-N 0 0 532.562 6.714 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000008414996 553010920 /nfs/dbraw/zinc/01/09/20/553010920.db2.gz QSFPYBCXYKKPAJ-UZTOHYMASA-N 0 0 500.545 5.974 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008415285 553010993 /nfs/dbraw/zinc/01/09/93/553010993.db2.gz DKTOXOHCBKFHHE-CCLHPLFOSA-N 0 0 520.526 6.845 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415424 553011016 /nfs/dbraw/zinc/01/10/16/553011016.db2.gz XXZJPXQUABGBNX-MUUNZHRXSA-N 0 0 514.572 7.000 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008415329 553011058 /nfs/dbraw/zinc/01/10/58/553011058.db2.gz MFDVKKGWVULZBI-XMMPIXPASA-N 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/nfs/dbraw/zinc/01/51/87/553015187.db2.gz RUXHNBATWUZMEU-JEBSQDRDSA-N 0 0 783.644 6.008 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1Cl ZINC000008425505 553015627 /nfs/dbraw/zinc/01/56/27/553015627.db2.gz YCQKIGLRYKUSPG-SOJUGJLBSA-N 0 0 619.139 5.473 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n21 ZINC000008425898 553016991 /nfs/dbraw/zinc/01/69/91/553016991.db2.gz TWUVWJFPOYJLMP-QNJFXWHVSA-N 0 0 694.607 6.208 50 30 KKEARN COc1ccc(Br)cc1/C=C1\CC(C(C)(C)C)C/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000008426268 553018170 /nfs/dbraw/zinc/01/81/70/553018170.db2.gz ZJFUERLOQULAKO-XOBNHNQQSA-N 0 0 548.315 7.721 50 30 KKEARN CCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008426282 553018173 /nfs/dbraw/zinc/01/81/73/553018173.db2.gz PLCCMPTUWWOGAQ-WZSJLEJASA-N 0 0 614.580 7.887 50 30 KKEARN O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000008426863 553019067 /nfs/dbraw/zinc/01/90/67/553019067.db2.gz FUQDLTYHDKBCOA-DQPVQCHKSA-N 0 0 576.652 7.983 50 30 KKEARN O=C(Nc1cccnc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000008427363 553019809 /nfs/dbraw/zinc/01/98/09/553019809.db2.gz YUENFPDTGFFRJC-UHFFFAOYSA-N 0 0 725.224 6.755 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000008427346 553019849 /nfs/dbraw/zinc/01/98/49/553019849.db2.gz BRDGWCKPDXZGFY-SDHSZQHLSA-N 0 0 514.810 6.387 50 30 KKEARN CCCCN(CCCC)c1nc(=NN=Cc2cc([N+](=O)[O-])ccc2OC)nc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000008427582 553020240 /nfs/dbraw/zinc/02/02/40/553020240.db2.gz CNPSDLPQOXDCAB-YZSQISJMSA-N 0 0 537.581 5.293 50 30 KKEARN CCN(CC)c1nc(N=NCc2cc(I)cc(I)c2O)nc(Nc2cc(C)ccc2C)n1 ZINC000008427617 553020294 /nfs/dbraw/zinc/02/02/94/553020294.db2.gz ZJGYBUBWQDOIGM-BRJLIKDPSA-N 0 0 657.298 5.439 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NC=C(Br)Cc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000008427636 553020303 /nfs/dbraw/zinc/02/03/03/553020303.db2.gz VDGHJIDBBDFGHD-BIJLSAQLSA-N 0 0 531.374 6.101 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008430020 553020776 /nfs/dbraw/zinc/02/07/76/553020776.db2.gz OSLDDUYTETWCJQ-GDLZYMKVSA-N 0 0 556.584 7.675 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc(OC)c1OC ZINC000008430242 553021320 /nfs/dbraw/zinc/02/13/20/553021320.db2.gz JCAWTDKBEGFSND-OLRZCDJHSA-N 0 0 595.490 6.472 50 30 KKEARN COc1cc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000008430262 553021357 /nfs/dbraw/zinc/02/13/57/553021357.db2.gz ZZNOVIDYPKCGOU-ZOKDDAQRSA-N 0 0 546.620 5.718 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)C[C@@H]1C ZINC000008430647 553022016 /nfs/dbraw/zinc/02/20/16/553022016.db2.gz GUJRUAKCUFBOEW-TVLMAONJSA-N 0 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/nfs/dbraw/zinc/02/38/63/553023863.db2.gz BYSPWCQRKAHEDH-AWEZNQCLSA-N 0 0 636.925 8.167 50 30 KKEARN COc1ccc(NC(=NCCc2ccc(OC)c(OC)c2)S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000008431888 553024404 /nfs/dbraw/zinc/02/44/04/553024404.db2.gz SBRXGUOOCMHBLB-RUZDIDTESA-N 0 0 554.068 5.251 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4F)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432172 553025398 /nfs/dbraw/zinc/02/53/98/553025398.db2.gz QPHBDEROVRRNTM-NRUKRWIHSA-N 0 0 502.589 7.349 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4F)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432173 553025406 /nfs/dbraw/zinc/02/54/06/553025406.db2.gz QPHBDEROVRRNTM-BNHRFMORSA-N 0 0 502.589 7.349 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC2CCCCC2)cc1 ZINC000008432185 553025429 /nfs/dbraw/zinc/02/54/29/553025429.db2.gz QHDYMVGNDXCRBU-PMERELPUSA-N 0 0 530.782 7.356 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008433088 553028038 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553043669 /nfs/dbraw/zinc/04/36/69/553043669.db2.gz FSSWDVVUBFXMIY-RUZDIDTESA-N 0 0 635.926 6.699 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc(Cl)cc5)o4)cc3s2)c(C)c1 ZINC000008442634 553044175 /nfs/dbraw/zinc/04/41/75/553044175.db2.gz PSXZKXBRZGGABO-XVIDZLOXSA-N 0 0 560.144 9.005 50 30 KKEARN CCOc1cc(CN=Nc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008443012 553045100 /nfs/dbraw/zinc/04/51/00/553045100.db2.gz HBRIUSQBLIHKFX-XJECJHNESA-N 0 0 634.524 7.559 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008443187 553045612 /nfs/dbraw/zinc/04/56/12/553045612.db2.gz RBGDINURGQRVTO-PUHLOBNQSA-N 0 0 707.844 7.517 50 30 KKEARN CCCC[C@H](CC)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000008443996 553048839 /nfs/dbraw/zinc/04/88/39/553048839.db2.gz SRLSLNUPEKAHCA-UGDMGKLASA-N 0 0 532.725 7.843 50 30 KKEARN CCCC[C@@H](CC)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000008443995 553048894 /nfs/dbraw/zinc/04/88/94/553048894.db2.gz SRLSLNUPEKAHCA-UVDDSOTQSA-N 0 0 532.725 7.843 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008444071 553048996 /nfs/dbraw/zinc/04/89/96/553048996.db2.gz UCJLBPVQURQKIB-ZWVRTZEQSA-N 0 0 554.687 7.193 50 30 KKEARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444111 553049298 /nfs/dbraw/zinc/04/92/98/553049298.db2.gz HWUCENKIUWAWJC-WNSROMTISA-N 0 0 544.651 7.308 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000008444123 553049340 /nfs/dbraw/zinc/04/93/40/553049340.db2.gz JEEHTRCHNXMPPE-WAQHJAAWSA-N 0 0 576.696 8.480 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000008444383 553050179 /nfs/dbraw/zinc/05/01/79/553050179.db2.gz KUZAOGPQXKIDEU-QNLPTKCRSA-N 0 0 518.588 7.049 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000008444431 553050327 /nfs/dbraw/zinc/05/03/27/553050327.db2.gz MRSGGROIUGJYID-QYTMHSNXSA-N 0 0 535.732 8.014 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000008444435 553050342 /nfs/dbraw/zinc/05/03/42/553050342.db2.gz MRSGGROIUGJYID-JCVFDAPQSA-N 0 0 535.732 8.014 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000008444546 553050801 /nfs/dbraw/zinc/05/08/01/553050801.db2.gz LHVCUCBFYKJEEH-GTYOFVGBSA-N 0 0 508.637 7.434 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008445054 553052884 /nfs/dbraw/zinc/05/28/84/553052884.db2.gz CUUBOOGZSDIXGV-JIYROHSKSA-N 0 0 539.632 7.084 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008445097 553053114 /nfs/dbraw/zinc/05/31/14/553053114.db2.gz 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/nfs/dbraw/zinc/06/41/70/553064170.db2.gz RHVWWEJAGOSJRQ-HDFSHUSISA-N 0 0 631.979 6.145 50 30 KKEARN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1OCC ZINC000008452687 553064231 /nfs/dbraw/zinc/06/42/31/553064231.db2.gz RHVWWEJAGOSJRQ-LAUBZIAYSA-N 0 0 631.979 6.145 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000008452833 553064912 /nfs/dbraw/zinc/06/49/12/553064912.db2.gz GEUMELVAOWRASQ-XNXLFWIOSA-N 0 0 674.604 8.921 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCCC3)n2)c1O ZINC000008453702 553066664 /nfs/dbraw/zinc/06/66/64/553066664.db2.gz CITDFDZTJHKXCC-VULFUBBASA-N 0 0 591.308 5.681 50 30 KKEARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3n2)cc1 ZINC000008454748 553069497 /nfs/dbraw/zinc/06/94/97/553069497.db2.gz RJDGTLBKKUXJIO-UHFFFAOYSA-N 0 0 606.445 7.115 50 30 KKEARN Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3N2)cc1 ZINC000008454743 553069520 /nfs/dbraw/zinc/06/95/20/553069520.db2.gz HVTDCGLLCOKPJA-WOJBJXKFSA-N 0 0 610.477 7.027 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000008455822 553073811 /nfs/dbraw/zinc/07/38/11/553073811.db2.gz ITZFUOKPWLCVBT-JSZUHDFRSA-N 0 0 554.425 7.160 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3ccccc3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008455849 553073970 /nfs/dbraw/zinc/07/39/70/553073970.db2.gz XLYNOCUQHCNVHY-NJAPINKUSA-N 0 0 519.980 6.507 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N3)CCCC2 ZINC000008455845 553074023 /nfs/dbraw/zinc/07/40/23/553074023.db2.gz QVDFWTFBSCISHF-VQIMIIECSA-N 0 0 550.404 6.370 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000008492994 553076079 /nfs/dbraw/zinc/07/60/79/553076079.db2.gz AWEQMPCMSWZUSR-WCMJOSRZSA-N 0 0 635.394 6.565 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2c(Cl)cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2Cl)cc1 ZINC000008492956 553076097 /nfs/dbraw/zinc/07/60/97/553076097.db2.gz SHLUOUHAIORGRI-FMFFXOCNSA-N 0 0 598.579 6.580 50 30 KKEARN CCCCCCOc1ccc(OCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000008492919 553076119 /nfs/dbraw/zinc/07/61/19/553076119.db2.gz SQIOMIKJCDDZRT-INKHBPHZSA-N 0 0 573.742 5.935 50 30 KKEARN CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000008493815 553076497 /nfs/dbraw/zinc/07/64/97/553076497.db2.gz AMMKGWBXQRWWKI-KHZXQYSSSA-N 0 0 537.601 5.234 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1OCC ZINC000008494602 553076892 /nfs/dbraw/zinc/07/68/92/553076892.db2.gz VAOHJVALNVOWLE-JEIWRAGDSA-N 0 0 587.101 6.592 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008555922 553077742 /nfs/dbraw/zinc/07/77/42/553077742.db2.gz XYZMOYPUMXDAQW-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)CS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000008589857 553081529 /nfs/dbraw/zinc/08/15/29/553081529.db2.gz MAVKJXJLJAJORW-DEOSSOPVSA-N 0 0 565.116 6.017 50 30 aggregator KKEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)c1 ZINC000008604313 553097491 /nfs/dbraw/zinc/09/74/91/553097491.db2.gz RBEBQZRNCYNMHX-UHFFFAOYSA-N 0 0 527.989 5.457 50 30 KKEARN O=C(/C=C/c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccc(Br)cc1 ZINC000008611818 553101418 /nfs/dbraw/zinc/10/14/18/553101418.db2.gz XQTFGHNPRBTIRM-PSVMIJIFSA-N 0 0 501.424 5.724 50 30 aggregator KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl ZINC000008616592 553102521 /nfs/dbraw/zinc/10/25/21/553102521.db2.gz LROWHOOTCLUNCM-UHFFFAOYSA-N 0 0 587.237 8.708 50 30 KKEARN N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000008618229 553102969 /nfs/dbraw/zinc/10/29/69/553102969.db2.gz BMUSPYGVGOHQHB-UHFFFAOYSA-N 0 0 559.500 6.168 50 30 KKEARN N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000008626478 553103814 /nfs/dbraw/zinc/10/38/14/553103814.db2.gz LYBGQWMEOHHWLC-UHFFFAOYSA-N 0 0 520.838 6.842 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)n3Cc3ccccc3)sc2C1 ZINC000008636907 553105552 /nfs/dbraw/zinc/10/55/52/553105552.db2.gz HJKZGASXCMWJGK-QGZVFWFLSA-N 0 0 500.653 5.177 50 30 KKEARN Cc1cccc(Cl)c1NC(=O)[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000008648817 553107310 /nfs/dbraw/zinc/10/73/10/553107310.db2.gz XAKNRMMTMHPJOD-HSZRJFAPSA-N 0 0 544.023 8.135 50 30 KKEARN CN(C)c1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(N(C)C)cc4Cl)cc3)cc2)c(Cl)c1 ZINC000008654447 553108244 /nfs/dbraw/zinc/10/82/44/553108244.db2.gz SWTAHANBVMAMBL-VQGAUUQYSA-N 0 0 529.515 8.217 50 30 KKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000008671281 553110448 /nfs/dbraw/zinc/11/04/48/553110448.db2.gz ZVZCWESYHOBMSR-UHFFFAOYSA-N 0 0 530.523 6.412 50 30 KKEARN CCc1cccc(CC)c1NC(=O)COc1ccccc1C(=O)c1cc(C#N)c(=O)n(C2CCCCC2)c1 ZINC000008685359 553114176 /nfs/dbraw/zinc/11/41/76/553114176.db2.gz AIIXYIXUCJHMRZ-UHFFFAOYSA-N 0 0 511.622 5.598 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000008694694 553120361 /nfs/dbraw/zinc/12/03/61/553120361.db2.gz CDKLQMZWJMLQDO-OAQYLSRUSA-N 0 0 521.392 5.850 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000008694695 553120425 /nfs/dbraw/zinc/12/04/25/553120425.db2.gz CDKLQMZWJMLQDO-NRFANRHFSA-N 0 0 521.392 5.850 50 30 KKEARN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1ccccc1Cl ZINC000008694738 553120435 /nfs/dbraw/zinc/12/04/35/553120435.db2.gz KZQKGBZWNRCANL-NDZAJKAJSA-N 0 0 536.080 5.539 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000008695560 553121822 /nfs/dbraw/zinc/12/18/22/553121822.db2.gz WZCNTSYCLMAYNZ-HZAQMHFWSA-N 0 0 590.532 8.670 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3cccs3)C2)cc1 ZINC000008695558 553121879 /nfs/dbraw/zinc/12/18/79/553121879.db2.gz WZCNTSYCLMAYNZ-QTEAWJPNSA-N 0 0 590.532 8.670 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000008695578 553122267 /nfs/dbraw/zinc/12/22/67/553122267.db2.gz WBRPLGYKMHLJHB-PLTNMMHCSA-N 0 0 558.631 5.650 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000008695602 553122403 /nfs/dbraw/zinc/12/24/03/553122403.db2.gz JIOPGTXJOJRDLA-QYBDOPJKSA-N 0 0 510.943 7.111 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008695629 553122491 /nfs/dbraw/zinc/12/24/91/553122491.db2.gz PLPGDHBJMHHZGN-LUWBXXKHSA-N 0 0 614.739 7.211 50 30 KKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2cccc(Cl)c2Cl)c1Sc1ccc(Cl)cc1 ZINC000008733611 553130443 /nfs/dbraw/zinc/13/04/43/553130443.db2.gz FWCLZLCSFXMHDI-CCVNUDIWSA-N 0 0 502.854 7.749 50 30 KKEARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000008740094 553131822 /nfs/dbraw/zinc/13/18/22/553131822.db2.gz KMDHIRGFRAIIQQ-DFJJGZJQSA-N 0 0 524.767 7.407 50 30 biogenic KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000008740729 553132406 /nfs/dbraw/zinc/13/24/06/553132406.db2.gz STKQSWOSWNDCTG-NDEPHWFRSA-N 0 0 531.605 5.293 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000008753186 553135434 /nfs/dbraw/zinc/13/54/34/553135434.db2.gz UYXOQQZJTARYLD-NYFMKLKXSA-N 0 0 582.622 8.037 50 30 KKEARN COc1ccc(C=CC(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc1OC ZINC000008758715 553137294 /nfs/dbraw/zinc/13/72/94/553137294.db2.gz YTPTTXSUZQNAKQ-UXBLZVDNSA-N 0 0 533.032 5.086 50 30 KKEARN CC(=O)Nc1cccc(Oc2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000008762214 553137555 /nfs/dbraw/zinc/13/75/55/553137555.db2.gz PBVCAMQUXRBDFC-UHFFFAOYSA-N 0 0 507.899 7.710 50 30 KKEARN Cc1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c(Br)c1 ZINC000008763307 553137811 /nfs/dbraw/zinc/13/78/11/553137811.db2.gz GWXOTPNXRVRMJY-WPWMEQJKSA-N 0 0 524.467 5.629 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008766786 553139140 /nfs/dbraw/zinc/13/91/40/553139140.db2.gz FPEQESNVIKODGI-OLILMLBXSA-N 0 0 520.551 7.025 50 30 KKEARN CC[C@@H](C(=O)N=C(Nc1cccc(C)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)c1ccccc1 ZINC000008767606 553139727 /nfs/dbraw/zinc/13/97/27/553139727.db2.gz ARCRJNQDWCFCJO-RUZDIDTESA-N 0 0 546.096 6.624 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008770834 553141017 /nfs/dbraw/zinc/14/10/17/553141017.db2.gz JYHDVSPKTPQHBR-GDLZYMKVSA-N 0 0 508.618 6.511 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1C ZINC000008772081 553141293 /nfs/dbraw/zinc/14/12/93/553141293.db2.gz KKKKMKLMGJPGET-ULJHMMPZSA-N 0 0 505.665 5.650 50 30 KKEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000008791049 553146800 /nfs/dbraw/zinc/14/68/00/553146800.db2.gz YFTBNKYGEBZLJH-AHWVRZQESA-N 0 0 510.981 5.220 50 30 biogenic KKEARN COc1cc2c(cc1OC)C1=C[C@H](c3cc(OC)c4c(c3)OCCO4)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000008791798 553147269 /nfs/dbraw/zinc/14/72/69/553147269.db2.gz DSQCWXIZUYXLAM-HXUWFJFHSA-N 0 0 503.595 5.123 50 30 biogenic KKEARN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816757 553152066 /nfs/dbraw/zinc/15/20/66/553152066.db2.gz UMNFBHAMYHPTFO-NRFANRHFSA-N 0 0 506.605 5.775 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000008817821 553153117 /nfs/dbraw/zinc/15/31/17/553153117.db2.gz GTUFXHOWUDRJAJ-NRFANRHFSA-N 0 0 506.580 5.118 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1C ZINC000008827729 553156706 /nfs/dbraw/zinc/15/67/06/553156706.db2.gz FIAGTFMLYRGFCU-XMMPIXPASA-N 0 0 502.567 6.152 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827815 553156890 /nfs/dbraw/zinc/15/68/90/553156890.db2.gz PHBHYFJOQGIJNE-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827816 553156964 /nfs/dbraw/zinc/15/69/64/553156964.db2.gz PHBHYFJOQGIJNE-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000008846358 553166075 /nfs/dbraw/zinc/16/60/75/553166075.db2.gz DBOABUYSCPZZAG-HEIROHQZSA-N 0 0 512.625 7.315 50 30 KKEARN O=S(=O)(Oc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1)c1ccccc1 ZINC000008854533 553166816 /nfs/dbraw/zinc/16/68/16/553166816.db2.gz QULTXEMEIPHHEP-ZVHZXABRSA-N 0 0 514.426 5.786 50 30 KKEARN Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c1C ZINC000008854828 553167000 /nfs/dbraw/zinc/16/70/00/553167000.db2.gz URXIHJGTIPQUSV-GATIEOLUSA-N 0 0 504.894 5.641 50 30 KKEARN Oc1ccc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000008856881 553167742 /nfs/dbraw/zinc/16/77/42/553167742.db2.gz XBBABBKWETXBQY-VBNCLUCLSA-N 0 0 504.204 7.502 50 30 KKEARN CCCCCc1nc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c(-c2ccccc2)c1CCCC ZINC000008857465 553167986 /nfs/dbraw/zinc/16/79/86/553167986.db2.gz UEDDZVBHURLOJH-UHFFFAOYSA-N 0 0 524.492 8.020 50 30 KKEARN Cn1nc(C(F)(F)F)c(CO/N=C/c2ccc(Cl)cc2)c1Sc1ccc(Br)cc1 ZINC000008857141 553168008 /nfs/dbraw/zinc/16/80/08/553168008.db2.gz PUYOLTUJOVRXLT-KIBLKLHPSA-N 0 0 504.759 6.557 50 30 KKEARN Clc1ccc([C@H]2C[C@H]2/C(=N/OCc2ccc(Cl)cc2Cl)c2ccc(Br)cc2)cc1 ZINC000008857104 553168018 /nfs/dbraw/zinc/16/80/18/553168018.db2.gz UJSYSSZZJMLTGZ-UGNLZVGFSA-N 0 0 509.658 8.134 50 30 KKEARN Clc1ccc([C@@H]2C[C@H]2/C(=N/OCc2ccc(Cl)cc2Cl)c2ccc(Br)cc2)cc1 ZINC000008857103 553168056 /nfs/dbraw/zinc/16/80/56/553168056.db2.gz UJSYSSZZJMLTGZ-MELLPFMNSA-N 0 0 509.658 8.134 50 30 KKEARN Cc1nc2cc(C)ccn2c1/C(CSc1ccc(Cl)cc1)=N/OCc1ccc(Cl)cc1Cl ZINC000008857247 553168077 /nfs/dbraw/zinc/16/80/77/553168077.db2.gz PULYUAWTSJBNIJ-QUPMIFSKSA-N 0 0 504.870 7.625 50 30 KKEARN Cc1ccc(CO/N=C/[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H](/C=N\OCc3ccc(C)cc3)C2=O)cc1 ZINC000008857390 553168083 /nfs/dbraw/zinc/16/80/83/553168083.db2.gz ZCEWUNRDMDCCAA-TZNKFYEBSA-N 0 0 514.582 5.238 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)ccc2F)cc1OC ZINC000008857538 553168309 /nfs/dbraw/zinc/16/83/09/553168309.db2.gz JWVOWUVGLKVKNB-CHAGWJKLSA-N 0 0 523.402 6.585 50 30 KKEARN CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000008860505 553170127 /nfs/dbraw/zinc/17/01/27/553170127.db2.gz HVAUUPRFYPCOCA-AREMUKBSSA-O 0 0 524.700 6.256 50 30 in-vivo KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2CC(C)C)cc1 ZINC000008867297 553170576 /nfs/dbraw/zinc/17/05/76/553170576.db2.gz FOBLHNRSESQCLT-GFNNVWICSA-N 0 0 511.978 5.479 50 30 KKEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 ZINC000008869697 553171211 /nfs/dbraw/zinc/17/12/11/553171211.db2.gz JMGKPDCQTPZRKG-XNTIDICGSA-N 0 0 516.425 6.336 50 30 KKEARN Clc1ccc(Sc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000008872305 553172924 /nfs/dbraw/zinc/17/29/24/553172924.db2.gz CIDRSIFKVFTYIM-NDZAJKAJSA-N 0 0 524.053 7.609 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1)c1ccc(Cl)cc1 ZINC000008872322 553173126 /nfs/dbraw/zinc/17/31/26/553173126.db2.gz KKMLLUQKJBHMMX-NDZAJKAJSA-N 0 0 528.016 5.924 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3ccccc3OC)c(OC)c2)SC1=S ZINC000008872426 553173345 /nfs/dbraw/zinc/17/33/45/553173345.db2.gz JYMXSUITFCWCEJ-ZHZULCJRSA-N 0 0 536.469 5.311 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872714 553173780 /nfs/dbraw/zinc/17/37/80/553173780.db2.gz BAUAQXMKLHTMKT-MTDXEUNCSA-N 0 0 527.589 5.568 50 30 KKEARN Brc1cccc(Nc2nc(N=NCc3c4ccccc4cc4ccccc43)nc(N3CCOCC3)n2)c1 ZINC000008872694 553173789 /nfs/dbraw/zinc/17/37/89/553173789.db2.gz PARUEPRCSVRKLW-UXHLAJHPSA-N 0 0 554.452 5.967 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872776 553174111 /nfs/dbraw/zinc/17/41/11/553174111.db2.gz RHOQPMVZLZSQLP-QRQIAZFYSA-N 0 0 522.525 5.982 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872787 553174142 /nfs/dbraw/zinc/17/41/42/553174142.db2.gz IGFPHPDPYTUCMF-JVWAILMASA-N 0 0 537.496 5.881 50 30 KKEARN C=CC[C@H](Nc1ccc(Cc2ccc(N[C@@H](CC=C)c3ccc(OC)cc3)cc2)cc1)c1ccc(OC)cc1 ZINC000008873658 553174843 /nfs/dbraw/zinc/17/48/43/553174843.db2.gz UPTUBAHCBNDDGU-PXLJZGITSA-N 0 0 518.701 8.753 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894188 553177498 /nfs/dbraw/zinc/17/74/98/553177498.db2.gz BZWBXBPTOBMTNV-HSZRJFAPSA-N 0 0 515.547 5.558 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008894966 553178145 /nfs/dbraw/zinc/17/81/45/553178145.db2.gz BXFUDEQXPIFYEQ-DEOSSOPVSA-N 0 0 519.022 6.666 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008900126 553181131 /nfs/dbraw/zinc/18/11/31/553181131.db2.gz CNEMXBFCHMHMFC-QHCPKHFHSA-N 0 0 502.592 6.368 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008900854 553181819 /nfs/dbraw/zinc/18/18/19/553181819.db2.gz IKJMSIKKSJQRJV-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008905342 553183745 /nfs/dbraw/zinc/18/37/45/553183745.db2.gz ZOIOQNRUGJSLKE-QFIPXVFZSA-N 0 0 506.605 5.775 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914185 553185760 /nfs/dbraw/zinc/18/57/60/553185760.db2.gz XCESBQWECVJYBT-VWLOTQADSA-N 0 0 514.603 5.967 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)NC2=O)c(OC)c1 ZINC000008915972 553186558 /nfs/dbraw/zinc/18/65/58/553186558.db2.gz CUVQJROASJMLDI-MOSHPQCFSA-N 0 0 506.443 5.133 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2ccc(C)o2)cc1OC ZINC000008916373 553186565 /nfs/dbraw/zinc/18/65/65/553186565.db2.gz ITTRQCDLHKBKIU-PIIWDFAUSA-N 0 0 525.667 5.653 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2ccc(C)o2)cc1OC ZINC000008916378 553186590 /nfs/dbraw/zinc/18/65/90/553186590.db2.gz ITTRQCDLHKBKIU-MMTVBGGISA-N 0 0 525.667 5.653 50 30 KKEARN CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951399 553193527 /nfs/dbraw/zinc/19/35/27/553193527.db2.gz PZGBJFVDUONDMV-HPMPDSITSA-N 0 0 515.513 6.411 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973649 553195272 /nfs/dbraw/zinc/19/52/72/553195272.db2.gz NDVSPDWYBRXREQ-DEOSSOPVSA-N 0 0 502.567 6.316 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008973995 553195584 /nfs/dbraw/zinc/19/55/84/553195584.db2.gz OLKZDBSCVRGNAY-SANMLTNESA-N 0 0 512.631 6.828 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008974033 553195725 /nfs/dbraw/zinc/19/57/25/553195725.db2.gz IVFVURYYCMLERU-DEOSSOPVSA-N 0 0 519.022 6.748 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)NC3=O)cc2OCC)c(OC)c1 ZINC000008984241 553196262 /nfs/dbraw/zinc/19/62/62/553196262.db2.gz HMGPOJGNFRKVDG-KGENOOAVSA-N 0 0 506.045 5.422 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996495 553197168 /nfs/dbraw/zinc/19/71/68/553197168.db2.gz KTFDEUHAUAKHAJ-HSZRJFAPSA-N 0 0 504.539 5.495 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008996884 553197426 /nfs/dbraw/zinc/19/74/26/553197426.db2.gz HYNKNKVRGWVTCC-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000008996661 553197480 /nfs/dbraw/zinc/19/74/80/553197480.db2.gz CJVKOFGOSGUZRM-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008997033 553197719 /nfs/dbraw/zinc/19/77/19/553197719.db2.gz BNHAIOBVIIXEPA-DEOSSOPVSA-N 0 0 500.576 5.659 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000009008302 553198834 /nfs/dbraw/zinc/19/88/34/553198834.db2.gz QGSXKBBLJNKNDD-OAQYLSRUSA-N 0 0 506.580 5.037 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000009009043 553199274 /nfs/dbraw/zinc/19/92/74/553199274.db2.gz ILDDGKYCYKBCJY-SVQVGOSPSA-N 0 0 506.522 6.305 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000009018937 553200742 /nfs/dbraw/zinc/20/07/42/553200742.db2.gz XRBJJPVEXFKDID-BNHRFMORSA-N 0 0 520.673 7.303 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009018999 553200745 /nfs/dbraw/zinc/20/07/45/553200745.db2.gz MHKQWMZHLPKYJF-NLGDKJDOSA-N 0 0 522.645 6.954 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009019991 553201100 /nfs/dbraw/zinc/20/11/00/553201100.db2.gz PXDITGAURYUQRG-HSZRJFAPSA-N 0 0 506.426 5.951 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009019710 553201163 /nfs/dbraw/zinc/20/11/63/553201163.db2.gz XBJAXKCDQQYSNZ-QFIPXVFZSA-N 0 0 502.405 5.161 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009043473 553202868 /nfs/dbraw/zinc/20/28/68/553202868.db2.gz NWOMWZGDDXRFMX-QFIPXVFZSA-N 0 0 520.607 5.508 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009043705 553202925 /nfs/dbraw/zinc/20/29/25/553202925.db2.gz ACGHNNZNXWBNSY-OAQYLSRUSA-N 0 0 506.580 5.118 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046335 553203733 /nfs/dbraw/zinc/20/37/33/553203733.db2.gz KFUXDLPDVXKEPO-AREMUKBSSA-N 0 0 526.658 7.084 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009046471 553204048 /nfs/dbraw/zinc/20/40/48/553204048.db2.gz XAHUHFDEURZQDV-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=CC1=CC(=[NH+][N-]c2ccc(Cl)cc2)C=CC1=O ZINC000009057087 553204368 /nfs/dbraw/zinc/20/43/68/553204368.db2.gz MUDUIIQEVORQTB-YCEPCYNGSA-N 0 0 501.373 8.982 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000009065018 553205727 /nfs/dbraw/zinc/20/57/27/553205727.db2.gz QFERJZLSDHAEIA-NDEPHWFRSA-N 0 0 512.606 6.169 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067287 553206429 /nfs/dbraw/zinc/20/64/29/553206429.db2.gz UIKMQHMIKDCUPA-HXUWFJFHSA-N 0 0 525.026 5.972 50 30 KKEARN Cc1ccc(C2C=C(N=Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)C[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009076266 553207669 /nfs/dbraw/zinc/20/76/69/553207669.db2.gz DVMGNKXUOCKTQU-NSMVSKSVSA-N 0 0 508.669 8.651 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000009082843 553208149 /nfs/dbraw/zinc/20/81/49/553208149.db2.gz BEWNKUUMGFIUBN-MUUNZHRXSA-N 0 0 505.445 7.379 50 30 KKEARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)C3=C(CC(C)(C)CC3=O)N2c2ccc(C)cc2)cc1 ZINC000009089594 553209093 /nfs/dbraw/zinc/20/90/93/553209093.db2.gz MTXOYAVEDLITOY-UHFFFAOYSA-N 0 0 510.478 6.777 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000009108731 553209694 /nfs/dbraw/zinc/20/96/94/553209694.db2.gz SBAWHCDSUYTNBV-SSEXGKCCSA-N 0 0 531.052 6.743 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000009113420 553210818 /nfs/dbraw/zinc/21/08/18/553210818.db2.gz IDOBUNAFIPLMJB-HMILPKGGSA-N 0 0 529.589 5.043 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009122351 553212169 /nfs/dbraw/zinc/21/21/69/553212169.db2.gz BHILSQCITLUNTE-NFMXCSJRSA-N 0 0 501.652 6.811 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009123761 553212587 /nfs/dbraw/zinc/21/25/87/553212587.db2.gz FJWHJFQSLUIBSO-RUZDIDTESA-N 0 0 516.594 6.740 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009124419 553212852 /nfs/dbraw/zinc/21/28/52/553212852.db2.gz BNKTYIZDSIBFQE-DMZKTXOQSA-N 0 0 504.589 5.473 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124399 553212860 /nfs/dbraw/zinc/21/28/60/553212860.db2.gz NCJOJARWCHXDDD-JBEBIEQOSA-N 0 0 516.550 5.550 50 30 KKEARN COc1cc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCCCO5)cc2c1OCCO2 ZINC000009129391 553213267 /nfs/dbraw/zinc/21/32/67/553213267.db2.gz PDITTYJHJOVSKB-OAQYLSRUSA-N 0 0 515.606 5.267 50 30 biogenic KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009135643 553213431 /nfs/dbraw/zinc/21/34/31/553213431.db2.gz AQEGTNHDCMRSMR-DEOSSOPVSA-N 0 0 500.576 5.877 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5oncc5C[C@@]34C)[C@H]2C1 ZINC000009136456 553213467 /nfs/dbraw/zinc/21/34/67/553213467.db2.gz YKCYCQSFKWWXPA-IVZSHBTMSA-N 0 0 507.715 6.842 50 30 biogenic KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc(OC)c1OC ZINC000009159060 553215291 /nfs/dbraw/zinc/21/52/91/553215291.db2.gz WWUKGDMVXJADPZ-NDENLUEZSA-N 0 0 501.318 5.855 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009185704 553217441 /nfs/dbraw/zinc/21/74/41/553217441.db2.gz IRWSKKDAZGPEEN-DLLPINGYSA-N 0 0 505.017 7.554 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009192425 553218763 /nfs/dbraw/zinc/21/87/63/553218763.db2.gz JATOBWCHCMJEGX-AREMUKBSSA-N 0 0 502.567 5.056 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000009192749 553218921 /nfs/dbraw/zinc/21/89/21/553218921.db2.gz IKTKEVOMCFGPPK-VWLOTQADSA-N 0 0 515.610 5.279 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6n5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009215601 553221362 /nfs/dbraw/zinc/22/13/62/553221362.db2.gz OCMVIYLWFGDHPI-XMMPIXPASA-N 0 0 503.562 5.516 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4Br)nc3c1[C@H]2c1ccccc1 ZINC000009215884 553221542 /nfs/dbraw/zinc/22/15/42/553221542.db2.gz SPWALKNLFROGDQ-FQEVSTJZSA-N 0 0 501.384 5.721 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4Br)nc3c1[C@@H]2c1ccccc1 ZINC000009215885 553221592 /nfs/dbraw/zinc/22/15/92/553221592.db2.gz SPWALKNLFROGDQ-HXUWFJFHSA-N 0 0 501.384 5.721 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009233754 553224585 /nfs/dbraw/zinc/22/45/85/553224585.db2.gz ALYUYYKIQOZLFI-CHJDUVSTSA-N 0 0 512.606 6.547 50 30 biogenic KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000009234314 553224990 /nfs/dbraw/zinc/22/49/90/553224990.db2.gz NXRCHPFVROCBDH-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240802 553226183 /nfs/dbraw/zinc/22/61/83/553226183.db2.gz QPPRYJRCVXHTNP-QHCPKHFHSA-N 0 0 520.994 6.058 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240846 553226324 /nfs/dbraw/zinc/22/63/24/553226324.db2.gz PSNHAGJHCQUAGN-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009243707 553226873 /nfs/dbraw/zinc/22/68/73/553226873.db2.gz BYTKEMAZOVDQJD-MZNJEOGPSA-N 0 0 504.608 5.818 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009244318 553227040 /nfs/dbraw/zinc/22/70/40/553227040.db2.gz KMDGGLDZOZWADX-VWLOTQADSA-N 0 0 514.603 6.049 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244139 553227096 /nfs/dbraw/zinc/22/70/96/553227096.db2.gz DJKFJSZJWQBRRF-HXUWFJFHSA-N 0 0 508.571 5.458 50 30 KKEARN Cc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009264249 553228782 /nfs/dbraw/zinc/22/87/82/553228782.db2.gz MYPYBFFKDKTOND-IIMAJNMQSA-N 0 0 524.020 7.848 50 30 KKEARN O=C(Nc1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264242 553228829 /nfs/dbraw/zinc/22/88/29/553228829.db2.gz ZMTLLOWRWUKORV-OLILMLBXSA-N 0 0 509.993 7.539 50 30 KKEARN O=C(Nc1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264246 553228854 /nfs/dbraw/zinc/22/88/54/553228854.db2.gz ZMTLLOWRWUKORV-AFJIDDCJSA-N 0 0 509.993 7.539 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264293 553228876 /nfs/dbraw/zinc/22/88/76/553228876.db2.gz QECPNXYRADXHTH-WRONEBCDSA-N 0 0 509.993 7.539 50 30 KKEARN COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264328 553229070 /nfs/dbraw/zinc/22/90/70/553229070.db2.gz KGDAYBNAROWAKW-ROTAYESASA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(C)cc1 ZINC000009264341 553229075 /nfs/dbraw/zinc/22/90/75/553229075.db2.gz CWWQEVCDBWGAEL-JCOAXYOVSA-N 0 0 519.601 7.203 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009271410 553230802 /nfs/dbraw/zinc/23/08/02/553230802.db2.gz WMSWXAILMOKEEY-HSZRJFAPSA-N 0 0 502.548 5.105 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009271512 553231073 /nfs/dbraw/zinc/23/10/73/553231073.db2.gz HCYBKTWHDVAOAH-QFIPXVFZSA-N 0 0 520.607 5.461 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)c(C)c1 ZINC000009272182 553231505 /nfs/dbraw/zinc/23/15/05/553231505.db2.gz GKSAFSQKMVFPRQ-MUUNZHRXSA-N 0 0 530.621 5.755 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000009272248 553231515 /nfs/dbraw/zinc/23/15/15/553231515.db2.gz HZDWISINCIUVRJ-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000009272310 553231719 /nfs/dbraw/zinc/23/17/19/553231719.db2.gz MBCOPNVYBJMEDN-LMKDROEOSA-N 0 0 511.625 7.004 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009272732 553232018 /nfs/dbraw/zinc/23/20/18/553232018.db2.gz JIMSGZDZXWQERB-MHZLTWQESA-N 0 0 516.594 5.308 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009273706 553232219 /nfs/dbraw/zinc/23/22/19/553232219.db2.gz UDEMTDICGLMLOO-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2[C@H]2OC(=O)c3ccccc32)cc1 ZINC000009282655 553234065 /nfs/dbraw/zinc/23/40/65/553234065.db2.gz NAVOUIBTHXWYGQ-IHLOFXLRSA-N 0 0 506.646 7.470 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009291420 553234704 /nfs/dbraw/zinc/23/47/04/553234704.db2.gz KBFQKSHIIIIFQA-WTYVLRPYSA-N 0 0 512.606 5.753 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292581 553235126 /nfs/dbraw/zinc/23/51/26/553235126.db2.gz SERRJOYAMJLVNS-LFPIHBKWSA-N 0 0 516.550 5.550 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292583 553235157 /nfs/dbraw/zinc/23/51/57/553235157.db2.gz SERRJOYAMJLVNS-BSEYFRJRSA-N 0 0 516.550 5.550 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000009292959 553235265 /nfs/dbraw/zinc/23/52/65/553235265.db2.gz IEMPKXQZUACFQY-JRPXNJEYSA-N 0 0 517.581 6.581 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009308699 553237442 /nfs/dbraw/zinc/23/74/42/553237442.db2.gz OADZQRTUGGJEIW-OWJWWREXSA-N 0 0 513.575 5.196 50 30 KKEARN C=CCn1cc(OC(=O)c2cccc(OC)c2)c2c3nc4ccccc4n3c(-c3cccc(OC)c3)nc21 ZINC000009308488 553237487 /nfs/dbraw/zinc/23/74/87/553237487.db2.gz NPEOLNRBQCXIBQ-UHFFFAOYSA-N 0 0 504.546 5.927 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009308649 553237531 /nfs/dbraw/zinc/23/75/31/553237531.db2.gz NUYXWPSJTRIQOY-WINIVTDRSA-N 0 0 523.626 5.058 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000009310248 553238704 /nfs/dbraw/zinc/23/87/04/553238704.db2.gz XJUQZRFZBIHSMV-VUTHCHCSSA-N 0 0 506.054 5.531 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000009311539 553239708 /nfs/dbraw/zinc/23/97/08/553239708.db2.gz GEXUSHKJKWUALU-NUVWRXCPSA-N 0 0 506.540 5.041 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009311874 553239813 /nfs/dbraw/zinc/23/98/13/553239813.db2.gz XYKMRLJUXLLMPD-KCWXNJEJSA-N 0 0 511.618 6.358 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009312242 553240061 /nfs/dbraw/zinc/24/00/61/553240061.db2.gz KRMAJLDWXIILEM-YKGWIAGDSA-N 0 0 525.645 6.256 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009312108 553240124 /nfs/dbraw/zinc/24/01/24/553240124.db2.gz XLOQOPKCXREUEG-OLILMLBXSA-N 0 0 527.617 5.976 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009312551 553240444 /nfs/dbraw/zinc/24/04/44/553240444.db2.gz ZMAOLLWTTOFNOK-VKGTZQKMSA-N 0 0 513.590 5.238 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009312966 553240696 /nfs/dbraw/zinc/24/06/96/553240696.db2.gz RZBNNVBQYPHSMS-MYUZEXMDSA-N 0 0 517.578 5.569 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009312967 553240722 /nfs/dbraw/zinc/24/07/22/553240722.db2.gz RZBNNVBQYPHSMS-DNOBIOAJSA-N 0 0 517.578 5.569 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009312971 553240728 /nfs/dbraw/zinc/24/07/28/553240728.db2.gz VYKSZWKWPOMFBK-GKVSMKOHSA-N 0 0 518.407 5.594 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009313061 553240990 /nfs/dbraw/zinc/24/09/90/553240990.db2.gz KRMAJLDWXIILEM-CHJDUVSTSA-N 0 0 525.645 6.256 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320606 553241474 /nfs/dbraw/zinc/24/14/74/553241474.db2.gz QUWMGZQZBWJWNL-JBEBIEQOSA-N 0 0 516.550 5.550 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)CC ZINC000009327510 553241693 /nfs/dbraw/zinc/24/16/93/553241693.db2.gz FERUFQUYQKNRQF-KCEHZKJRSA-N 0 0 510.634 6.795 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009329404 553242184 /nfs/dbraw/zinc/24/21/84/553242184.db2.gz HBPRYKZHZFHSIL-XRHLQHRESA-N 0 0 524.642 6.834 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009333934 553242868 /nfs/dbraw/zinc/24/28/68/553242868.db2.gz GHJTXLSJIWJULK-XMMPIXPASA-N 0 0 500.595 6.824 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000009334006 553243089 /nfs/dbraw/zinc/24/30/89/553243089.db2.gz MGHDMBCUSLJKNJ-NDEPHWFRSA-N 0 0 515.997 6.634 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009334240 553243093 /nfs/dbraw/zinc/24/30/93/553243093.db2.gz DDEJJXDOBKNVNZ-HSZRJFAPSA-N 0 0 504.995 6.440 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334187 553243099 /nfs/dbraw/zinc/24/30/99/553243099.db2.gz PTCJVSSUCZGKLJ-XMMPIXPASA-N 0 0 516.619 6.677 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009334543 553243289 /nfs/dbraw/zinc/24/32/89/553243289.db2.gz CQTBWVBAGCULNB-GYCJOSAFSA-N 0 0 504.380 5.551 50 30 KKEARN CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000009346197 553244235 /nfs/dbraw/zinc/24/42/35/553244235.db2.gz PZPOPIAZCSLMSR-GJQHCVRFSA-N 0 0 520.724 5.024 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000009350934 553245296 /nfs/dbraw/zinc/24/52/96/553245296.db2.gz ASLVZURQKFEGQK-PSLXWICFSA-N 0 0 502.979 6.056 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350880 553245302 /nfs/dbraw/zinc/24/53/02/553245302.db2.gz PHPWPJKDXWPOQQ-MYYSRTQBSA-N 0 0 517.006 6.364 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000009350595 553245305 /nfs/dbraw/zinc/24/53/05/553245305.db2.gz GBMCEOGDLLQHRF-CPJLOUKISA-N 0 0 512.587 5.720 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000009350591 553245318 /nfs/dbraw/zinc/24/53/18/553245318.db2.gz GBMCEOGDLLQHRF-LMKMVOKYSA-N 0 0 512.587 5.720 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009353169 553245344 /nfs/dbraw/zinc/24/53/44/553245344.db2.gz DDEJJXDOBKNVNZ-QHCPKHFHSA-N 0 0 504.995 6.440 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000009353413 553245482 /nfs/dbraw/zinc/24/54/82/553245482.db2.gz CLAMJFSJTARIRP-SANMLTNESA-N 0 0 522.501 8.007 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009354473 553246024 /nfs/dbraw/zinc/24/60/24/553246024.db2.gz WKVXBMVLYYIAKU-XRHLQHRESA-N 0 0 515.562 5.345 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000009354811 553246225 /nfs/dbraw/zinc/24/62/25/553246225.db2.gz LRIJYZJBODKTFF-UHFFFAOYSA-N 0 0 525.073 7.706 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009356592 553246582 /nfs/dbraw/zinc/24/65/82/553246582.db2.gz GKIQEMGNPCDLAW-PUAOIOHZSA-N 0 0 512.587 5.725 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009357197 553246669 /nfs/dbraw/zinc/24/66/69/553246669.db2.gz BTXFQYRDPZXLFI-DWXRJYCRSA-N 0 0 510.615 6.328 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000009357061 553246711 /nfs/dbraw/zinc/24/67/11/553246711.db2.gz FEKWHYGUYGLAEW-NRUKRWIHSA-N 0 0 518.588 7.049 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009356869 553246716 /nfs/dbraw/zinc/24/67/16/553246716.db2.gz XIULONGUYYJSNQ-ODCWNRFASA-N 0 0 514.578 6.104 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009356795 553246770 /nfs/dbraw/zinc/24/67/70/553246770.db2.gz DVVKRWWMIPPKHP-UBOZLPQGSA-N 0 0 513.641 6.967 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009357581 553247012 /nfs/dbraw/zinc/24/70/12/553247012.db2.gz NABRQUAGHFVATO-IZHWHUGBSA-N 0 0 500.551 5.850 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009358218 553247496 /nfs/dbraw/zinc/24/74/96/553247496.db2.gz IKYOLTCLRRDVCK-YUDQIZAISA-N 0 0 518.569 6.281 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009359075 553247941 /nfs/dbraw/zinc/24/79/41/553247941.db2.gz UZQSINSPJXQTCI-AREMUKBSSA-N 0 0 504.583 6.124 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009359077 553247964 /nfs/dbraw/zinc/24/79/64/553247964.db2.gz UZQSINSPJXQTCI-SANMLTNESA-N 0 0 504.583 6.124 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360112 553248157 /nfs/dbraw/zinc/24/81/57/553248157.db2.gz LXKXCRQYJLHYDN-IVCQMTBJSA-N 0 0 514.578 6.159 50 30 KKEARN CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009363525 553248880 /nfs/dbraw/zinc/24/88/80/553248880.db2.gz QRSSBJCSCLKFRT-SSEXGKCCSA-N 0 0 514.069 6.792 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009373859 553250756 /nfs/dbraw/zinc/25/07/56/553250756.db2.gz JAENGFYSVJIPAU-HRFSGMKKSA-N 0 0 515.610 5.054 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009374589 553250913 /nfs/dbraw/zinc/25/09/13/553250913.db2.gz SEHOZOUHLMOGPG-PIIWDFAUSA-N 0 0 513.590 5.204 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000009374515 553250943 /nfs/dbraw/zinc/25/09/43/553250943.db2.gz LKZWHYVWUPXKMU-PLRJNAJWSA-N 0 0 503.693 6.886 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009379652 553251337 /nfs/dbraw/zinc/25/13/37/553251337.db2.gz LINRIBTYCIXLBC-NDEPHWFRSA-N 0 0 531.605 5.206 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000009379814 553251541 /nfs/dbraw/zinc/25/15/41/553251541.db2.gz JVWGYHAAWVAVLB-QHCPKHFHSA-N 0 0 516.432 5.407 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2ccco2)cc1 ZINC000009380030 553251556 /nfs/dbraw/zinc/25/15/56/553251556.db2.gz AIVMBCMRMFQMRC-UCPJIYJUSA-N 0 0 500.598 7.202 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000009380153 553251771 /nfs/dbraw/zinc/25/17/71/553251771.db2.gz UKSFPVCBBKEFQY-DFXYEROKSA-N 0 0 526.633 6.269 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000009380478 553251780 /nfs/dbraw/zinc/25/17/80/553251780.db2.gz VGEJCTJEBVWTLM-OAQYLSRUSA-N 0 0 511.372 5.526 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009424115 553258513 /nfs/dbraw/zinc/25/85/13/553258513.db2.gz FCPMNAMXJJEXKP-XMMPIXPASA-N 0 0 514.559 5.173 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000009424496 553258703 /nfs/dbraw/zinc/25/87/03/553258703.db2.gz AMUZVJHTLQAMBO-LJAQVGFWSA-N 0 0 519.553 6.029 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009424840 553258897 /nfs/dbraw/zinc/25/88/97/553258897.db2.gz NWONUBQOFSFUPT-NDEPHWFRSA-N 0 0 529.589 5.424 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009424760 553258914 /nfs/dbraw/zinc/25/89/14/553258914.db2.gz WTKVLOLDAGTEJY-HSZRJFAPSA-N 0 0 518.978 5.812 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009424929 553259023 /nfs/dbraw/zinc/25/90/23/553259023.db2.gz OHFZZTZIMYCSQO-XMMPIXPASA-N 0 0 516.550 5.606 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000009424966 553259029 /nfs/dbraw/zinc/25/90/29/553259029.db2.gz KLGNOJOPXSRGBO-QFIPXVFZSA-N 0 0 504.589 5.529 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(O)c2)cc1 ZINC000009425042 553259139 /nfs/dbraw/zinc/25/91/39/553259139.db2.gz FZDSYMVTJPUUJC-NDEPHWFRSA-N 0 0 523.589 5.145 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009425278 553259329 /nfs/dbraw/zinc/25/93/29/553259329.db2.gz ZDTSWUAWXDCQMQ-SMSORMJASA-N 0 0 509.606 6.813 50 30 KKEARN Cc1oc(C)c(C(=O)/C=C\c2ccc(Br)cc2)c1C(=O)/C=C/c1ccc(Br)cc1 ZINC000009427588 553259960 /nfs/dbraw/zinc/25/99/60/553259960.db2.gz HTIKFDJBTLXCOO-MFUUIURDSA-N 0 0 514.213 7.214 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009436621 553264491 /nfs/dbraw/zinc/26/44/91/553264491.db2.gz MNOHKPKIHOKOJW-MMTVBGGISA-N 0 0 512.606 5.608 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1Cc1cccnc1 ZINC000009436596 553264611 /nfs/dbraw/zinc/26/46/11/553264611.db2.gz GMIBGBQBPTWQGM-NDEPHWFRSA-N 0 0 506.558 5.448 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009454288 553266343 /nfs/dbraw/zinc/26/63/43/553266343.db2.gz IPKJEWQIWHBGJY-OLILMLBXSA-N 0 0 521.569 5.961 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009454294 553266348 /nfs/dbraw/zinc/26/63/48/553266348.db2.gz IPKJEWQIWHBGJY-WRONEBCDSA-N 0 0 521.569 5.961 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000009459479 553266740 /nfs/dbraw/zinc/26/67/40/553266740.db2.gz CEDWHZRMMVNNTQ-LMKMVOKYSA-N 0 0 514.906 6.942 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009460774 553266864 /nfs/dbraw/zinc/26/68/64/553266864.db2.gz FWKUYQGBBILCJA-HSZRJFAPSA-N 0 0 518.978 5.812 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000009460796 553266889 /nfs/dbraw/zinc/26/68/89/553266889.db2.gz ZEMQXHJTSPXASY-IVCQMTBJSA-N 0 0 512.587 5.801 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000009460978 553267172 /nfs/dbraw/zinc/26/71/72/553267172.db2.gz GJAAQQFXWKRPLX-LJAQVGFWSA-N 0 0 522.601 6.012 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009461220 553267361 /nfs/dbraw/zinc/26/73/61/553267361.db2.gz FIBHYGYQBXVJSQ-DEOSSOPVSA-N 0 0 519.022 6.694 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009461565 553267795 /nfs/dbraw/zinc/26/77/95/553267795.db2.gz UKXRURBTHFSNKB-HSZRJFAPSA-N 0 0 504.564 5.560 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009462967 553268681 /nfs/dbraw/zinc/26/86/81/553268681.db2.gz PMCBPPVJFSTHOA-QNLPTKCRSA-N 0 0 512.625 7.315 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000009463124 553268686 /nfs/dbraw/zinc/26/86/86/553268686.db2.gz IBFIKLNAMVDATB-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009462937 553268745 /nfs/dbraw/zinc/26/87/45/553268745.db2.gz YCTRVXBLLCLDIS-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000009504220 553275616 /nfs/dbraw/zinc/27/56/16/553275616.db2.gz WMFFQAQLOZUMKS-QHCPKHFHSA-N 0 0 531.491 5.473 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009508051 553276022 /nfs/dbraw/zinc/27/60/22/553276022.db2.gz MIORRSHJLLSFHU-MHZLTWQESA-N 0 0 501.579 5.197 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000009556440 553278856 /nfs/dbraw/zinc/27/88/56/553278856.db2.gz HRSWGAJRGQKXDA-MHZLTWQESA-N 0 0 513.546 5.245 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(F)c2)cc1OC ZINC000009598260 553284107 /nfs/dbraw/zinc/28/41/07/553284107.db2.gz XZKJPCMGDFFRMT-RCRUUEGKSA-N 0 0 526.608 6.152 50 30 KKEARN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000009597968 553284172 /nfs/dbraw/zinc/28/41/72/553284172.db2.gz WFFYXRGMFJEFFY-CYBMUJFWSA-N 0 0 508.442 5.365 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2)cc1 ZINC000009598253 553284186 /nfs/dbraw/zinc/28/41/86/553284186.db2.gz NIZXVDULRSLZRA-RCRUUEGKSA-N 0 0 524.617 5.713 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000009600808 553286184 /nfs/dbraw/zinc/28/61/84/553286184.db2.gz XFHJHCYKLAVHCL-KMRXNPHXSA-N 0 0 524.057 6.451 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009600794 553286207 /nfs/dbraw/zinc/28/62/07/553286207.db2.gz DUWXINULTZKLJP-SKCUWOTOSA-N 0 0 505.680 6.133 50 30 KKEARN COc1ccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)Cc2ccccc2)cc1OC ZINC000009614300 553289847 /nfs/dbraw/zinc/28/98/47/553289847.db2.gz INNFOGYTWWKYBC-RUZDIDTESA-N 0 0 508.643 6.483 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000009668257 553293686 /nfs/dbraw/zinc/29/36/86/553293686.db2.gz MOEJAGBVVOFUPN-WKULSOCRSA-N 0 0 512.462 7.849 50 30 KKEARN C=CCc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000009679209 553296000 /nfs/dbraw/zinc/29/60/00/553296000.db2.gz VTNJTDHOBBOOJU-BSMJIXEWSA-N 0 0 504.612 5.219 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000009720985 553300880 /nfs/dbraw/zinc/30/08/80/553300880.db2.gz ZUQSHKMTXZJWIX-UVDDSOTQSA-N 0 0 523.007 7.694 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763579 553303426 /nfs/dbraw/zinc/30/34/26/553303426.db2.gz ROZKAQLTADBWKM-SBGXGKRISA-N 0 0 510.015 5.518 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763601 553303456 /nfs/dbraw/zinc/30/34/56/553303456.db2.gz LJFHJJRJPHLXNR-PQHDRGKASA-N 0 0 510.015 5.518 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000009775604 553304242 /nfs/dbraw/zinc/30/42/42/553304242.db2.gz UPJUSVXAJCYWTM-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c1OC ZINC000009805242 553308282 /nfs/dbraw/zinc/30/82/82/553308282.db2.gz GUNMIIZKTCRVAS-YMGMXPECSA-N 0 0 516.594 5.709 50 30 KKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c1OC ZINC000009805245 553308295 /nfs/dbraw/zinc/30/82/95/553308295.db2.gz GUNMIIZKTCRVAS-UULLZXFKSA-N 0 0 516.594 5.709 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000009805259 553308327 /nfs/dbraw/zinc/30/83/27/553308327.db2.gz CWRDDYDBLJWQQK-RQZFFVEVSA-N 0 0 530.621 6.099 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000009805288 553308623 /nfs/dbraw/zinc/30/86/23/553308623.db2.gz ZQPZXKJKCVOWPT-GDLZYMKVSA-N 0 0 510.977 6.789 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OCc1ccccc1 ZINC000009805269 553308624 /nfs/dbraw/zinc/30/86/24/553308624.db2.gz UODGOWWSTVMVNK-UVMFRMCBSA-N 0 0 516.641 7.562 50 30 KKEARN CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009846430 553311834 /nfs/dbraw/zinc/31/18/34/553311834.db2.gz IVUYRNYZIVMRMR-WQQUIMEHSA-N 0 0 501.933 6.258 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000009846897 553312110 /nfs/dbraw/zinc/31/21/10/553312110.db2.gz HZLOJGLLAITUIO-RUZDIDTESA-N 0 0 505.574 5.998 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)c1 ZINC000009861293 553314168 /nfs/dbraw/zinc/31/41/68/553314168.db2.gz ZOTFABQHNJQQKP-HHHXNRCGSA-N 0 0 524.573 5.097 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccccc2OCC)C[C@H](C(C)(C)C)CC3)cc1 ZINC000009907690 553316184 /nfs/dbraw/zinc/31/61/84/553316184.db2.gz CJUAOWAFKTXABK-PGYFOQMFSA-N 0 0 532.706 7.477 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccc(OCCC)cc1 ZINC000009909772 553316961 /nfs/dbraw/zinc/31/69/61/553316961.db2.gz WWNYEBSCPYMVPI-UHFFFAOYSA-N 0 0 523.659 5.837 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1OC ZINC000009968658 553321729 /nfs/dbraw/zinc/32/17/29/553321729.db2.gz CNGZIZNNVJIDBZ-XOJPMGEXSA-N 0 0 515.404 5.087 50 30 KKEARN C=C(Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000009971190 553322580 /nfs/dbraw/zinc/32/25/80/553322580.db2.gz WSPQACZKZYNQLM-ZVFYDXCLSA-N 0 0 510.634 6.722 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@](=O)Cc3ccccc3)n2)cc1 ZINC000009993200 553323731 /nfs/dbraw/zinc/32/37/31/553323731.db2.gz NVPDBDHQZUROSD-TVYQXRCNSA-N 0 0 514.672 5.698 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993085 553323735 /nfs/dbraw/zinc/32/37/35/553323735.db2.gz RAICWJVBZOLUQI-UUWRZZSWSA-N 0 0 505.064 6.948 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000009993403 553323985 /nfs/dbraw/zinc/32/39/85/553323985.db2.gz GYPLXOIOMWJSII-NQHRYMMQSA-N 0 0 524.013 5.063 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993820 553324141 /nfs/dbraw/zinc/32/41/41/553324141.db2.gz IJHWHSPLIOVTET-MUUNZHRXSA-N 0 0 520.670 5.208 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009993925 553324434 /nfs/dbraw/zinc/32/44/34/553324434.db2.gz QMIOODYBGIHBCD-DEOSSOPVSA-N 0 0 521.411 5.720 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994391 553324923 /nfs/dbraw/zinc/32/49/23/553324923.db2.gz RVJIVVOVNMYQLQ-JOCHJYFZSA-N 0 0 520.607 5.427 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000010007704 553325468 /nfs/dbraw/zinc/32/54/68/553325468.db2.gz FIZMNUCSKDOFNO-CLYVBNDRSA-N 0 0 515.631 6.010 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013549 553326073 /nfs/dbraw/zinc/32/60/73/553326073.db2.gz UQSYHAASEFULNB-PPHZAIPVSA-N 0 0 504.964 6.619 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000010013629 553326230 /nfs/dbraw/zinc/32/62/30/553326230.db2.gz ACQJMEUNXXSJCC-MMTVBGGISA-N 0 0 512.581 5.843 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(OC)c3)C4=O)c2c1 ZINC000011869021 553348232 /nfs/dbraw/zinc/34/82/32/553348232.db2.gz FXGNVIYSGXXEJZ-RHANQZHGSA-N 0 0 532.548 7.343 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)c1 ZINC000011869091 553348289 /nfs/dbraw/zinc/34/82/89/553348289.db2.gz ZYEQEGBYVCQINN-UHBFCERESA-N 0 0 532.548 7.164 50 30 biogenic KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc(OC)c1OC ZINC000011869573 553348298 /nfs/dbraw/zinc/34/82/98/553348298.db2.gz CKRSTVRTZXXCJW-YSMPRRRNSA-N 0 0 508.526 6.215 50 30 KKEARN C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000012112426 553351449 /nfs/dbraw/zinc/35/14/49/553351449.db2.gz OFOVJEIBGFSDGT-ULJHMMPZSA-N 0 0 502.617 5.377 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000012285086 553356303 /nfs/dbraw/zinc/35/63/03/553356303.db2.gz ZHNYLSZQPINXHU-DJUQAAIZSA-N 0 0 522.601 5.792 50 30 KKEARN C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000012338568 553358495 /nfs/dbraw/zinc/35/84/95/553358495.db2.gz GXVBMKGQRBQQSL-UHFFFAOYSA-N 0 0 519.479 6.871 50 30 KKEARN O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000012338606 553358503 /nfs/dbraw/zinc/35/85/03/553358503.db2.gz PLHYBIXJGPLNKZ-AMVVHIIESA-N 0 0 500.929 7.390 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349640 553358898 /nfs/dbraw/zinc/35/88/98/553358898.db2.gz XNYXCXQGJBHJIX-WKRVVKTRSA-N 0 0 523.654 7.303 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCOc3ccc(Cl)c(C)c3)c(OC)c2)SC1=S ZINC000012349689 553359108 /nfs/dbraw/zinc/35/91/08/553359108.db2.gz KDXDJPZKHFCEHQ-DEDYPNTBSA-N 0 0 510.464 6.155 50 30 KKEARN C=CCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCC=C)c(OCC=C)c3)cc2)cc1OCC=C ZINC000012363625 553359447 /nfs/dbraw/zinc/35/94/47/553359447.db2.gz CJDVZGOAXZPKLS-IENBMRAWSA-N 0 0 508.618 7.447 50 30 KKEARN O=[N+]([O-])c1cc(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)c(Cl)cc1Cl ZINC000012374615 553360840 /nfs/dbraw/zinc/36/08/40/553360840.db2.gz RKEVOQGKTQOJJE-BRJLIKDPSA-N 0 0 505.341 5.406 50 30 KKEARN Cc1sc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21 ZINC000012372420 553360875 /nfs/dbraw/zinc/36/08/75/553360875.db2.gz AAPPSJBFSJRODP-GDLZYMKVSA-N 0 0 508.647 6.061 50 30 KKEARN NC1=C(C(=O)Nc2nccs2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1c1cccc(C(F)(F)F)c1 ZINC000012376119 553361288 /nfs/dbraw/zinc/36/12/88/553361288.db2.gz FJYOUVUWUCIBDC-HXUWFJFHSA-N 0 0 510.541 5.582 50 30 KKEARN CC1(C)CC(=O)C(=C(CCCN2C(=O)c3ccccc3C2=O)Nc2ccc(Br)cc2)C(=O)C1 ZINC000012402128 553362603 /nfs/dbraw/zinc/36/26/03/553362603.db2.gz ASXJTZWQRRRPBY-UHFFFAOYSA-N 0 0 509.400 5.150 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411768 553363779 /nfs/dbraw/zinc/36/37/79/553363779.db2.gz TWTXFFLXJGPVMW-XHCCPWGMSA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000012413075 553364256 /nfs/dbraw/zinc/36/42/56/553364256.db2.gz PTUJWBQBZIAJDM-OSOCVKALSA-N 0 0 519.594 5.606 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012413275 553364500 /nfs/dbraw/zinc/36/45/00/553364500.db2.gz LRVAENVXVNJJKV-RUZDIDTESA-N 0 0 532.706 6.219 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000012419571 553365682 /nfs/dbraw/zinc/36/56/82/553365682.db2.gz NLHQJUJYPTXSGC-FJXAFNGESA-N 0 0 510.590 7.222 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000012428733 553366091 /nfs/dbraw/zinc/36/60/91/553366091.db2.gz ZQKNLIPCRORTGB-XNTIDICGSA-N 0 0 516.425 6.336 50 30 KKEARN C=CCn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nc2scc(-c3ccco3)c2c1=O ZINC000012549025 553392529 /nfs/dbraw/zinc/39/25/29/553392529.db2.gz DBINQXCGEANLDF-ZCZKMIILSA-N 0 0 509.697 5.717 50 30 KKEARN COC(=O)c1ccc(COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)c3ccc(Cl)cc3)cc2OC)cc1 ZINC000012564609 553396283 /nfs/dbraw/zinc/39/62/83/553396283.db2.gz HFTGWPCGYNRKNG-VWLOTQADSA-N 0 0 520.969 5.225 50 30 KKEARN N#CCCN(C(=O)CNc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1)c1ccccc1 ZINC000012565301 553396647 /nfs/dbraw/zinc/39/66/47/553396647.db2.gz XELXHWXGGUYNLT-UHFFFAOYSA-N 0 0 518.333 6.619 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012574972 553398461 /nfs/dbraw/zinc/39/84/61/553398461.db2.gz AEOVVXHVJYXUMY-RQZHXJHFSA-N 0 0 515.974 7.449 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000012604001 553402226 /nfs/dbraw/zinc/40/22/26/553402226.db2.gz UMSDJINUYUPTLL-UCHNXLLDSA-N 0 0 509.075 5.750 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OCC)cc3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000012624977 553404883 /nfs/dbraw/zinc/40/48/83/553404883.db2.gz SLIJQAHCWNJKTC-UHFFFAOYSA-N 0 0 519.692 5.914 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000012628200 553405016 /nfs/dbraw/zinc/40/50/16/553405016.db2.gz XXWWSSPFEAGDBQ-PNJMJVHGSA-N 0 0 510.015 5.518 50 30 KKEARN C=CCc1ccccc1CCCSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C ZINC000012629353 553405272 /nfs/dbraw/zinc/40/52/72/553405272.db2.gz ZFTZMBVTZZFQGM-UHFFFAOYSA-N 0 0 524.734 7.485 50 30 KKEARN CCCc1ccc(-c2ccc(-c3nc(SCc4cccc(C#N)c4)ncc3-c3ccc(Cl)cc3)cc2)c(F)c1 ZINC000012858616 553422626 /nfs/dbraw/zinc/42/26/26/553422626.db2.gz AEDSKUUJQZNYAE-UHFFFAOYSA-N 0 0 550.102 9.387 50 30 KKEARN CC(C)(C)SC(=S)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000012872539 553424197 /nfs/dbraw/zinc/42/41/97/553424197.db2.gz TYNSGLOXNJFAFV-XDANTLIUSA-N 0 0 508.771 5.115 50 30 biogenic KKEARN Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\OCc1ccc(Cl)cc1 ZINC000012953743 553429142 /nfs/dbraw/zinc/42/91/42/553429142.db2.gz BITIEPKPBJYQIC-FAJYDZGRSA-N 0 0 531.486 6.820 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2ccc(Cl)cc2)=C3Sc2ccc(C)cc2)cc1 ZINC000012955090 553429350 /nfs/dbraw/zinc/42/93/50/553429350.db2.gz QKWIIEATYLXPNH-GUBAARJWSA-N 0 0 561.150 9.967 50 30 KKEARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(COS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000012956233 553429725 /nfs/dbraw/zinc/42/97/25/553429725.db2.gz WLFUBIJWVDNRKI-UHFFFAOYSA-N 0 0 549.662 6.303 50 30 KKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012957620 553429906 /nfs/dbraw/zinc/42/99/06/553429906.db2.gz RDKHIBPQGAAXJM-JSRRNTKJSA-N 0 0 523.641 7.774 50 30 KKEARN O=C1[C@H](/C=N/OCc2ccc(Cl)cc2)CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1/C=N\OCc1ccc(Cl)cc1 ZINC000012957734 553429923 /nfs/dbraw/zinc/42/99/23/553429923.db2.gz XQFUTZSIYAKFMJ-BDOSYXGLSA-N 0 0 555.418 5.928 50 30 KKEARN Clc1cc(Cl)c(NN=C2c3ccccc3N=C2SCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000012960771 553430714 /nfs/dbraw/zinc/43/07/14/553430714.db2.gz TYSUOSIVYARJTO-USHMODERSA-N 0 0 515.680 8.747 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1nnc(-c2ccccc2)o1 ZINC000013098577 553447179 /nfs/dbraw/zinc/44/71/79/553447179.db2.gz WKSUZUWJURDLOG-UHFFFAOYSA-N 0 0 504.616 5.121 50 30 KKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccccc3)cc12 ZINC000013128941 553450285 /nfs/dbraw/zinc/45/02/85/553450285.db2.gz CSICTBDDHDMVKR-UHFFFAOYSA-N 0 0 523.618 5.529 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000013144084 553454528 /nfs/dbraw/zinc/45/45/28/553454528.db2.gz FIYUVIPDEYPKFP-ZJNPVAPASA-N 0 0 512.609 6.265 50 30 KKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000013161555 553456874 /nfs/dbraw/zinc/45/68/74/553456874.db2.gz VUVZZLDNMPHKOR-CLOONOSVSA-N 0 0 518.444 6.697 50 30 KKEARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(Br)cc2)cc1 ZINC000013285662 553457529 /nfs/dbraw/zinc/45/75/29/553457529.db2.gz YKDDKIVASWPSJS-NPGCFZLRSA-N 0 0 508.466 6.936 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2cccc3ccccc32)c1 ZINC000013286128 553457821 /nfs/dbraw/zinc/45/78/21/553457821.db2.gz UAELKTUJXHPMTK-HGHKWBERSA-N 0 0 514.075 7.980 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013549265 553469874 /nfs/dbraw/zinc/46/98/74/553469874.db2.gz LEOOPTSCRTXWFU-NDEPHWFRSA-N 0 0 531.605 5.206 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000013548583 553469964 /nfs/dbraw/zinc/46/99/64/553469964.db2.gz KGYOAFFMLAKHEC-DEOSSOPVSA-N 0 0 500.620 6.841 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000013549268 553470013 /nfs/dbraw/zinc/47/00/13/553470013.db2.gz LEOOPTSCRTXWFU-MUUNZHRXSA-N 0 0 531.605 5.206 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000013550142 553470101 /nfs/dbraw/zinc/47/01/01/553470101.db2.gz SLCJGXUKUYFWIR-DEOSSOPVSA-N 0 0 516.575 5.419 50 30 KKEARN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4ccc(C(C)C)cc4)cc3)c(N)c21 ZINC000013573933 553474522 /nfs/dbraw/zinc/47/45/22/553474522.db2.gz RKTHMHRSRMXMKO-AWNIVKPZSA-N 0 0 523.580 7.478 50 30 KKEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1 ZINC000013655241 553480593 /nfs/dbraw/zinc/48/05/93/553480593.db2.gz NQXLLNZNYIGUAA-QEIBWJMMSA-N 0 0 500.389 5.115 50 30 KKEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1 ZINC000013655247 553480620 /nfs/dbraw/zinc/48/06/20/553480620.db2.gz NQXLLNZNYIGUAA-NYSPCTSCSA-N 0 0 500.389 5.115 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000013687932 553485461 /nfs/dbraw/zinc/48/54/61/553485461.db2.gz LOPTZOYEUNSOKT-YRUIYKTESA-N 0 0 514.434 6.163 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013687131 553485474 /nfs/dbraw/zinc/48/54/74/553485474.db2.gz KAHPKRQRKWYZBL-RWZHXRJHSA-N 0 0 510.752 6.256 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000013711809 553485969 /nfs/dbraw/zinc/48/59/69/553485969.db2.gz UKOLKPOFSMCTLU-DXWCKFLSSA-N 0 0 503.624 5.957 50 30 KKEARN C=CCn1c(SCCC(=O)NCc2ccc(OCCC)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000013756212 553488085 /nfs/dbraw/zinc/48/80/85/553488085.db2.gz YGNLMRCXICRPBN-UHFFFAOYSA-N 0 0 527.712 5.083 50 30 KKEARN CC(C)c1nc(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c2c1COC(C)(C)C2 ZINC000013756431 553488314 /nfs/dbraw/zinc/48/83/14/553488314.db2.gz IJXMCENDTPBTRN-UHFFFAOYSA-N 0 0 502.446 5.589 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(C)cc1 ZINC000013880286 553493826 /nfs/dbraw/zinc/49/38/26/553493826.db2.gz CTSNRCSZSMBILH-UHFFFAOYSA-N 0 0 514.618 6.623 50 30 KKEARN O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000013881069 553493979 /nfs/dbraw/zinc/49/39/79/553493979.db2.gz WVBJEYCRTQSVEB-WMGVAAGXSA-N 0 0 507.590 7.414 50 30 KKEARN COc1ccc(OCc2ccc([C@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000013882195 553494192 /nfs/dbraw/zinc/49/41/92/553494192.db2.gz MLTKUGOUOJXJOY-LJAQVGFWSA-N 0 0 527.621 5.813 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)c(OC)c1 ZINC000013895556 553494689 /nfs/dbraw/zinc/49/46/89/553494689.db2.gz JSXHYLWQGIDURV-STZFKDTASA-N 0 0 520.470 5.475 50 30 KKEARN CCCCCCc1ccc(OCCOc2c(Br)cc(/C=N/n3cnnc3)cc2OCC)cc1 ZINC000013899096 553495182 /nfs/dbraw/zinc/49/51/82/553495182.db2.gz ZFVQTHZQFOFNHU-STBIYBPSSA-N 0 0 515.452 5.902 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCCOc2cc(C)ccc2C(C)C)SC1=S ZINC000013898825 553495205 /nfs/dbraw/zinc/49/52/05/553495205.db2.gz HBXMIMKAJKMPDX-LPYMAVHISA-N 0 0 522.519 7.270 50 30 KKEARN O=C(NC1CCCCC1)c1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 ZINC000013940372 553496273 /nfs/dbraw/zinc/49/62/73/553496273.db2.gz MXTSKJFPZUBEEY-RWPZCVJISA-N 0 0 512.031 7.262 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC ZINC000013941733 553496536 /nfs/dbraw/zinc/49/65/36/553496536.db2.gz VGMWFZNCZDXMPO-XSFVSMFZSA-N 0 0 520.470 5.475 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccccc3OC)c(OCC)c2)SC1=S ZINC000013942112 553496662 /nfs/dbraw/zinc/49/66/62/553496662.db2.gz LKIJGPBFEQWWJT-CJLVFECKSA-N 0 0 520.072 5.982 50 30 KKEARN COc1ccc(CCn2c(C)cc(C(=O)CSc3cc(C)c(C#N)c4nc5ccccc5n43)c2C)cc1 ZINC000014357672 553512483 /nfs/dbraw/zinc/51/24/83/553512483.db2.gz KAYBPSQUBHNHRM-UHFFFAOYSA-N 0 0 508.647 6.312 50 30 KKEARN C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1-c1cccc(C)c1 ZINC000014360184 553513849 /nfs/dbraw/zinc/51/38/49/553513849.db2.gz XRXOWIJEXXVUSW-HSZRJFAPSA-N 0 0 518.042 6.156 50 30 KKEARN Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc3ccccc3n2Cc2ccc(C#N)cc2)n1 ZINC000014360451 553513993 /nfs/dbraw/zinc/51/39/93/553513993.db2.gz ZTHBOMBTTIINCL-UHFFFAOYSA-N 0 0 500.484 5.722 50 30 KKEARN Cc1ccc(SC=C(O)NC(=Nc2nc(C)cc(C)n2)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000014671534 553518955 /nfs/dbraw/zinc/51/89/55/553518955.db2.gz FTOAMBXMCJVDJG-UHFFFAOYSA-N 0 0 507.063 5.456 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000014671528 553519005 /nfs/dbraw/zinc/51/90/05/553519005.db2.gz ZZAXNCIBIGZKFO-UHFFFAOYSA-N 0 0 523.040 6.336 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1[C@@H]2c1ccc(O)cc1 ZINC000015080211 553527596 /nfs/dbraw/zinc/52/75/96/553527596.db2.gz HHGVDNGTBOKVHB-RVBRUHEGSA-N 0 0 519.553 5.631 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000015188174 553528638 /nfs/dbraw/zinc/52/86/38/553528638.db2.gz RZYDRKKFHNMHTA-USIKZRCBSA-N 0 0 512.609 6.265 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N2C)cc1 ZINC000015722896 553535337 /nfs/dbraw/zinc/53/53/37/553535337.db2.gz RBHMQAUDERMXII-GZFRWTSMSA-N 0 0 504.568 5.413 50 30 KKEARN Cc1c2ccc(OCC(=NNc3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000015938331 553543229 /nfs/dbraw/zinc/54/32/29/553543229.db2.gz ABILYCAGMOOKMM-XPXRSFDGSA-N 0 0 519.557 6.496 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CC[C@H](C(C)(C)C)C3)c(OC)c1OC ZINC000015946463 553544414 /nfs/dbraw/zinc/54/44/14/553544414.db2.gz DHOJTOWFAWAKQJ-DGAZYVLHSA-N 0 0 520.695 7.236 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946441 553544430 /nfs/dbraw/zinc/54/44/30/553544430.db2.gz COSRVIXWPYEBKM-DSWROXKMSA-N 0 0 525.512 7.673 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000016044485 553554068 /nfs/dbraw/zinc/55/40/68/553554068.db2.gz ACOQNHTZQQBDKY-UHFFFAOYSA-N 0 0 508.732 5.900 50 30 KKEARN Cc1c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000016249802 553557904 /nfs/dbraw/zinc/55/79/04/553557904.db2.gz HAFZZDIISWSISV-ZMOGYAJESA-N 0 0 510.421 7.336 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000016487148 553566027 /nfs/dbraw/zinc/56/60/27/553566027.db2.gz RFOLUKLUUATSQX-SSEXGKCCSA-N 0 0 500.708 6.673 50 30 KKEARN CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000016572386 553568113 /nfs/dbraw/zinc/56/81/13/553568113.db2.gz DXWPSWCQZGQRGD-ACJLOTCBSA-N 0 0 513.421 5.014 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OCC)cc3)n2)cc1 ZINC000016729101 553575559 /nfs/dbraw/zinc/57/55/59/553575559.db2.gz IJVZYIKHDFTFSG-UHFFFAOYSA-N 0 0 513.541 6.333 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729866 553575947 /nfs/dbraw/zinc/57/59/47/553575947.db2.gz KJYYSLAXXOKQOM-HSZRJFAPSA-N 0 0 505.640 6.106 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731253 553577076 /nfs/dbraw/zinc/57/70/76/553577076.db2.gz CPHJGLUPRZFWHY-NDEPHWFRSA-N 0 0 524.548 5.587 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000016731775 553577328 /nfs/dbraw/zinc/57/73/28/553577328.db2.gz AITQULZEYKHYQA-SANMLTNESA-N 0 0 507.558 5.939 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000016732876 553577757 /nfs/dbraw/zinc/57/77/57/553577757.db2.gz LSIKJSKWULXLQP-YWEHKCAJSA-N 0 0 537.653 5.810 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000016733218 553577883 /nfs/dbraw/zinc/57/78/83/553577883.db2.gz KITUWVNUNRRWBJ-AREMUKBSSA-N 0 0 521.997 6.146 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000016733531 553578200 /nfs/dbraw/zinc/57/82/00/553578200.db2.gz DBUPDVRIPMTTFJ-OAQYLSRUSA-N 0 0 516.775 5.873 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734453 553578525 /nfs/dbraw/zinc/57/85/25/553578525.db2.gz FJCUTZREIFCNPZ-LJAQVGFWSA-N 0 0 518.569 6.217 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc(-c4ccccc4)cs3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016741960 553580065 /nfs/dbraw/zinc/58/00/65/553580065.db2.gz CWCHMKODJBRVIV-NDEPHWFRSA-N 0 0 522.626 6.462 50 30 KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(C)cc3)oc21 ZINC000016742175 553580130 /nfs/dbraw/zinc/58/01/30/553580130.db2.gz GEIGJCKABBLXKG-OAQYLSRUSA-N 0 0 502.548 5.500 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000016750993 553580701 /nfs/dbraw/zinc/58/07/01/553580701.db2.gz VCFIJVFAWKAXGJ-DEOSSOPVSA-N 0 0 518.543 6.116 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805527 553582956 /nfs/dbraw/zinc/58/29/56/553582956.db2.gz YGFOVXFMUWQLDA-QFIPXVFZSA-N 0 0 522.598 5.982 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000016805645 553583048 /nfs/dbraw/zinc/58/30/48/553583048.db2.gz XXKKXORYFNFLRD-RUZDIDTESA-N 0 0 507.970 5.756 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000016807378 553583408 /nfs/dbraw/zinc/58/34/08/553583408.db2.gz DXRZUGNFOFOZCH-AREMUKBSSA-N 0 0 527.646 6.660 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000016959802 553585575 /nfs/dbraw/zinc/58/55/75/553585575.db2.gz BNMVRVLRDWJNJR-NRFANRHFSA-N 0 0 510.015 5.297 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(I)cc1 ZINC000016994355 553586075 /nfs/dbraw/zinc/58/60/75/553586075.db2.gz ZLWKWQCILAJPKS-LJQANCHMSA-N 0 0 511.363 5.383 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OCCCC)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000017028026 553586985 /nfs/dbraw/zinc/58/69/85/553586985.db2.gz UHMLUOLMMPLJDD-JCVFDAPQSA-N 0 0 536.716 8.346 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000017029206 553587101 /nfs/dbraw/zinc/58/71/01/553587101.db2.gz AADFSCNXARJWPU-MUUNZHRXSA-N 0 0 505.445 7.379 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000017029208 553587117 /nfs/dbraw/zinc/58/71/17/553587117.db2.gz AADFSCNXARJWPU-NDEPHWFRSA-N 0 0 505.445 7.379 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(N4Cc5ccccc5C4)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000017167374 553589899 /nfs/dbraw/zinc/58/98/99/553589899.db2.gz DSTJHMIGNCPTDJ-NFPONTKCSA-N 0 0 509.675 7.152 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@H]2c1ccc(F)cc1 ZINC000017242286 553590887 /nfs/dbraw/zinc/59/08/87/553590887.db2.gz VPNRYUBQMKABNP-FQEVSTJZSA-N 0 0 506.559 5.722 50 30 KKEARN Cc1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576139 553591191 /nfs/dbraw/zinc/59/11/91/553591191.db2.gz ZWQBGQUZKUXYAV-KOLCDFICSA-N 0 0 585.210 6.806 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C)c1 ZINC000020149837 553594612 /nfs/dbraw/zinc/59/46/12/553594612.db2.gz FDZCTYLNZHMKRC-UHFFFAOYSA-N 0 0 513.678 6.946 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(OC)c6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070669849 553599194 /nfs/dbraw/zinc/59/91/94/553599194.db2.gz WPSBODQYFORBIF-OELIBUCLSA-N 0 0 616.883 9.097 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(OC)c6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070669848 553599217 /nfs/dbraw/zinc/59/92/17/553599217.db2.gz WPSBODQYFORBIF-FNVTYZCPSA-N 0 0 616.883 9.097 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070669853 553599238 /nfs/dbraw/zinc/59/92/38/553599238.db2.gz VXHGZMADPGKYHA-VNVPMSOHSA-N 0 0 556.831 9.080 50 30 biogenic KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccs3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000017781124 553599643 /nfs/dbraw/zinc/59/96/43/553599643.db2.gz CUNFJWUEJQHHNU-WNMDNWPKSA-N 0 0 509.653 5.706 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000017887239 553600313 /nfs/dbraw/zinc/60/03/13/553600313.db2.gz INBXFALHNOAFLD-SSEXGKCCSA-N 0 0 534.612 6.750 50 30 KKEARN COc1cccc(CNC(=O)c2ccc3nc(CC(=O)c4ccc(C5CCCCC5)cc4)c(=O)[nH]c3c2)c1 ZINC000020156509 553600302 /nfs/dbraw/zinc/60/03/02/553600302.db2.gz XVBSFEDCNUUCIL-VEILYXNESA-N 0 0 509.606 5.804 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070672804 553602617 /nfs/dbraw/zinc/60/26/17/553602617.db2.gz ZSQUSLALPQALPW-PKHCJMHPSA-N 0 0 544.648 6.786 50 30 biogenic KKEARN C=C1[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000018066167 553602794 /nfs/dbraw/zinc/60/27/94/553602794.db2.gz RZZPJHJCDHSZFS-RNPORBBMSA-N 0 0 504.586 6.224 50 30 KKEARN COc1ccccc1C=CC(=O)N=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1nc(C)cc(C)n1 ZINC000018088292 553603798 /nfs/dbraw/zinc/60/37/98/553603798.db2.gz OXASHIZNSZTPQA-DHZHZOJOSA-N 0 0 503.006 5.077 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000018107265 553604384 /nfs/dbraw/zinc/60/43/84/553604384.db2.gz GBLGNSPSWHIAMN-GPNASLBKSA-N 0 0 509.650 6.462 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000018114168 553604785 /nfs/dbraw/zinc/60/47/85/553604785.db2.gz NLQRTMHELIYURZ-JLPGSUDCSA-N 0 0 502.043 5.955 50 30 KKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)cc1OC ZINC000070686454 553605355 /nfs/dbraw/zinc/60/53/55/553605355.db2.gz IJVJMCOCFDICJS-ACXHZZMFSA-N 0 0 562.574 7.173 50 30 biogenic KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc(OC)c1OC ZINC000018123071 553605378 /nfs/dbraw/zinc/60/53/78/553605378.db2.gz WZXVINGHMQCOCL-SSEXGKCCSA-N 0 0 526.633 6.098 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000018126035 553605417 /nfs/dbraw/zinc/60/54/17/553605417.db2.gz AIHSZONOIAHCDV-CHJDUVSTSA-N 0 0 524.617 5.718 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)cc1 ZINC000070686684 553605632 /nfs/dbraw/zinc/60/56/32/553605632.db2.gz KWMLHRMFBBDEJW-UHBFCERESA-N 0 0 560.558 6.942 50 30 biogenic KKEARN Cc1c(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018130575 553605699 /nfs/dbraw/zinc/60/56/99/553605699.db2.gz MNXDKWXDLTUETH-RPRKIBSRSA-N 0 0 511.625 7.131 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000018153803 553606339 /nfs/dbraw/zinc/60/63/39/553606339.db2.gz AXCFTEFLILHMEZ-WENCNXQZSA-N 0 0 589.088 6.380 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000018156250 553606597 /nfs/dbraw/zinc/60/65/97/553606597.db2.gz CMHWGKOEYSRLAE-SSEXGKCCSA-N 0 0 508.618 6.189 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000018155411 553606650 /nfs/dbraw/zinc/60/66/50/553606650.db2.gz DCQWCDCJHQZLPW-YKGWIAGDSA-N 0 0 524.617 5.718 50 30 KKEARN N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(Cl)cc3Cl)nc1-c1ccccc1)CCCCCC2 ZINC000018172555 553607171 /nfs/dbraw/zinc/60/71/71/553607171.db2.gz SILNUZXUQBRURB-UHFFFAOYSA-N 0 0 502.449 7.080 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000018177170 553607173 /nfs/dbraw/zinc/60/71/73/553607173.db2.gz NUUHGYWMNQZSBX-XMMPIXPASA-N 0 0 511.416 5.381 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1OCc1ccccc1 ZINC000018181901 553608174 /nfs/dbraw/zinc/60/81/74/553608174.db2.gz HOPXCGPTQIPUHA-HHHXNRCGSA-N 0 0 520.551 6.971 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCCC4)C3=O)o2)cc1 ZINC000018194352 553608252 /nfs/dbraw/zinc/60/82/52/553608252.db2.gz IFSPUZVCQPNSLI-QIQPKBFVSA-N 0 0 514.647 7.450 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/N=C5/CC[C@@]6(C)[C@@H](CC[C@H]7[C@@H]8CC[C@H](O)[C@@]8(C)CC[C@@H]76)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000070691963 553608796 /nfs/dbraw/zinc/60/87/96/553608796.db2.gz IFKAXOWEFYVMHY-BIOMSLICSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Cl)c3Cl)C2)cc(OC)c1OC ZINC000018198147 553609184 /nfs/dbraw/zinc/60/91/84/553609184.db2.gz ZEBRYXCOJQJJIH-VERVWZFWSA-N 0 0 501.370 5.026 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)/C=C/c3ccc(OC)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070692143 553609612 /nfs/dbraw/zinc/60/96/12/553609612.db2.gz BTKOBXLKOUNJAZ-CBPKQOOZSA-N 0 0 602.900 9.270 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)/C=C/c3ccc(OC)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070692141 553609638 /nfs/dbraw/zinc/60/96/38/553609638.db2.gz BTKOBXLKOUNJAZ-VMZGXETHSA-N 0 0 602.900 9.270 50 30 biogenic KKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc(SCc4ccccn4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000018199784 553610070 /nfs/dbraw/zinc/61/00/70/553610070.db2.gz QIMSLYANXWKXJG-MWTRTKDXSA-N 0 0 506.056 6.096 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000018200296 553610075 /nfs/dbraw/zinc/61/00/75/553610075.db2.gz QFHGQZMFDSGCSI-ZHRRBRCNSA-N 0 0 507.468 5.615 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000018201278 553610199 /nfs/dbraw/zinc/61/01/99/553610199.db2.gz DYZFGKVVAFUACD-UHFFFAOYSA-N 0 0 511.445 6.494 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692234 553610291 /nfs/dbraw/zinc/61/02/91/553610291.db2.gz SZJMBFDWIKYQBS-DJRIOBNESA-N 0 0 576.910 8.591 50 30 biogenic KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692236 553610367 /nfs/dbraw/zinc/61/03/67/553610367.db2.gz SZJMBFDWIKYQBS-JBZMERJJSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3ccc(Cl)cc3)c2c1 ZINC000018223141 553610775 /nfs/dbraw/zinc/61/07/75/553610775.db2.gz LPLQBXZLOBNLSJ-UHFFFAOYSA-N 0 0 523.062 5.156 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692382 553611454 /nfs/dbraw/zinc/61/14/54/553611454.db2.gz KGGMAUFOYSKGAF-UYKGFKCYSA-N 0 0 534.825 9.695 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000018276797 553611832 /nfs/dbraw/zinc/61/18/32/553611832.db2.gz HHQBUYJNJNCHOQ-BNHRFMORSA-N 0 0 507.609 7.178 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000019228438 553612715 /nfs/dbraw/zinc/61/27/15/553612715.db2.gz RJGBHRKNWDKVGI-XMMPIXPASA-N 0 0 510.428 5.805 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000019770168 553616137 /nfs/dbraw/zinc/61/61/37/553616137.db2.gz ZEVHMAXLBCHXNY-DFHRPNOPSA-N 0 0 515.009 5.719 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000019798638 553617143 /nfs/dbraw/zinc/61/71/43/553617143.db2.gz ZWYFPSVHVOFZFS-UHFFFAOYSA-N 0 0 520.069 6.901 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1CCC(C)C ZINC000019808372 553617705 /nfs/dbraw/zinc/61/77/05/553617705.db2.gz UKJKGAXQKIEAEH-UHFFFAOYSA-N 0 0 520.508 6.885 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000019808449 553618176 /nfs/dbraw/zinc/61/81/76/553618176.db2.gz HJCSDJQXHHQVBI-HSZRJFAPSA-N 0 0 523.655 5.934 50 30 KKEARN COc1cc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)cc(OC)c1OC ZINC000070701440 553622109 /nfs/dbraw/zinc/62/21/09/553622109.db2.gz XMKXCQSCCPYATH-NUJZUDFISA-N 0 0 592.600 7.181 50 30 biogenic KKEARN CC(=O)OC(C)(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000070701527 553622227 /nfs/dbraw/zinc/62/22/27/553622227.db2.gz YLLWVNGLWTVDBS-NCRPGDEHSA-N 0 0 602.809 6.021 50 30 biogenic KKEARN CCCCCOc1ccc(/N=C2\c3ccccc3N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000019830787 553622582 /nfs/dbraw/zinc/62/25/82/553622582.db2.gz MEUVEOHMCOYJBZ-OWWNRXNESA-N 0 0 527.625 5.411 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000019830816 553622597 /nfs/dbraw/zinc/62/25/97/553622597.db2.gz QYFOWFHGFDHNCE-JRPXNJEYSA-N 0 0 531.649 5.950 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000019855398 553624178 /nfs/dbraw/zinc/62/41/78/553624178.db2.gz MHANWIIDIMKKSF-JMWMNHOVSA-N 0 0 503.595 5.324 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857797 553628721 /nfs/dbraw/zinc/62/87/21/553628721.db2.gz JAWBIOILPSGLPP-WUMKDDEVSA-N 0 0 507.652 5.551 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccccc1)CCCC2 ZINC000019858033 553628837 /nfs/dbraw/zinc/62/88/37/553628837.db2.gz ZPPWTXRFDNPDNM-HSZRJFAPSA-N 0 0 504.652 5.656 50 30 KKEARN C=CCN(CC=C)C(=O)C(=O)c1c(-c2ccccc2)c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3ccn12 ZINC000070706862 553629045 /nfs/dbraw/zinc/62/90/45/553629045.db2.gz FCPXSUVXUJZYKM-UHFFFAOYSA-N 0 0 590.676 6.844 50 30 biogenic KKEARN COc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)nc(-c3ccc4c(c3)N(CCC#N)C(=O)CO4)c2)cc1 ZINC000019862836 553629250 /nfs/dbraw/zinc/62/92/50/553629250.db2.gz OCQIIECYLUZBBQ-UHFFFAOYSA-N 0 0 519.557 5.501 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000019880971 553629489 /nfs/dbraw/zinc/62/94/89/553629489.db2.gz CBBQCOKUNOFLPT-CRICUBBOSA-N 0 0 512.002 5.376 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)O[C@@H](C)CC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000019892247 553630602 /nfs/dbraw/zinc/63/06/02/553630602.db2.gz UTYBJLHSLRKEDE-RKSVPRLPSA-N 0 0 519.638 5.806 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019892495 553630871 /nfs/dbraw/zinc/63/08/71/553630871.db2.gz GAOPVJJIRKHPDX-YKGWIAGDSA-N 0 0 533.665 6.196 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019892423 553630888 /nfs/dbraw/zinc/63/08/88/553630888.db2.gz UTUYZVPYCPUDFJ-OLILMLBXSA-N 0 0 535.637 5.426 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCC)c1 ZINC000019892628 553631128 /nfs/dbraw/zinc/63/11/28/553631128.db2.gz BOQCRGBWZZSERA-ZTOMLWHTSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCC ZINC000019892692 553631328 /nfs/dbraw/zinc/63/13/28/553631328.db2.gz MUHDAAQVPVEKAQ-KCWXNJEJSA-N 0 0 519.638 5.807 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCC ZINC000019892658 553631339 /nfs/dbraw/zinc/63/13/39/553631339.db2.gz COBTUHVYPXYGSR-LGGPFLRQSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCC ZINC000019892698 553631360 /nfs/dbraw/zinc/63/13/60/553631360.db2.gz MUHDAAQVPVEKAQ-PBBNMVCDSA-N 0 0 519.638 5.807 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000019904791 553633198 /nfs/dbraw/zinc/63/31/98/553633198.db2.gz DAQZOHPYWPPOQG-YUDQIZAISA-N 0 0 525.601 5.514 50 30 KKEARN Oc1ccc(Br)cc1C(C[C@H](NNc1ccccc1)c1ccc(Cl)cc1)=NNc1ccccc1 ZINC000071382548 553635405 /nfs/dbraw/zinc/63/54/05/553635405.db2.gz DRGGNGHZTGEFMB-DOTFLBJPSA-N 0 0 535.873 7.372 50 30 KKEARN CC#Cc1ccc2c(c1)C(CC[C@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c1cc(C#CC)ccc1-2 ZINC000071775081 553637099 /nfs/dbraw/zinc/63/70/99/553637099.db2.gz ZNUBKBKYSFWKMS-MEKGRNQZSA-N 0 0 522.861 11.181 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000019939411 553638167 /nfs/dbraw/zinc/63/81/67/553638167.db2.gz FECHOVJNANUZCG-UHFFFAOYSA-N 0 0 524.488 7.546 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000020351349 553640035 /nfs/dbraw/zinc/64/00/35/553640035.db2.gz XTYCWLLPBRPIPV-UHFFFAOYSA-N 0 0 512.433 6.672 50 30 KKEARN C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1csc(-c2ccccc2Cl)n1 ZINC000020352463 553640263 /nfs/dbraw/zinc/64/02/63/553640263.db2.gz AVMGISFRBAUTMC-UHFFFAOYSA-N 0 0 503.480 7.074 50 30 KKEARN COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000020353189 553640316 /nfs/dbraw/zinc/64/03/16/553640316.db2.gz PZIGLNGUFYEHFZ-VFLNYLIXSA-N 0 0 521.634 5.712 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3c(C)cccc3C)n2)cc1 ZINC000020418155 553647652 /nfs/dbraw/zinc/64/76/52/553647652.db2.gz PBUWJCLHMWFTDA-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020462687 553656459 /nfs/dbraw/zinc/65/64/59/553656459.db2.gz KFDGPVCMYCWYBF-UHFFFAOYSA-N 0 0 520.080 6.542 50 30 KKEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc4c(c(O)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079192569 553668614 /nfs/dbraw/zinc/66/86/14/553668614.db2.gz OFMYWHBYBLTYQF-MBHRIBRTSA-N 0 0 548.632 6.279 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000079210043 553670195 /nfs/dbraw/zinc/67/01/95/553670195.db2.gz VGPDRXMMBPXTSF-TXQSWDKBSA-N 0 0 740.806 6.978 50 30 biogenic KKEARN C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000020551491 553671355 /nfs/dbraw/zinc/67/13/55/553671355.db2.gz ZNJSZYLXUHNVTL-HNNXBMFYSA-N 0 0 513.044 6.402 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000020572187 553674232 /nfs/dbraw/zinc/67/42/32/553674232.db2.gz AEBJBIXMTVATRW-HOTGVXAUSA-N 0 0 526.753 5.893 50 30 KKEARN COc1cc(OC)c(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1Cl ZINC000020575716 553675561 /nfs/dbraw/zinc/67/55/61/553675561.db2.gz VRWUHKXXXMGCMR-MTJSOVHGSA-N 0 0 505.017 5.213 50 30 KKEARN O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000020575837 553675614 /nfs/dbraw/zinc/67/56/14/553675614.db2.gz UTRZLHVJGMSERF-JLPGSUDCSA-N 0 0 506.580 6.166 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000020069762 553676008 /nfs/dbraw/zinc/67/60/08/553676008.db2.gz CRRFTBFYSQLDSI-QHCPKHFHSA-N 0 0 510.434 5.426 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000020070013 553676146 /nfs/dbraw/zinc/67/61/46/553676146.db2.gz ADHSEAIYCMRJHP-NDEPHWFRSA-N 0 0 506.524 5.236 50 30 KKEARN C=CCSc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1-c1ccc(OCC)cc1 ZINC000085393150 553679419 /nfs/dbraw/zinc/67/94/19/553679419.db2.gz ZOUDETITGPUDNC-UHFFFAOYSA-N 0 0 516.648 5.803 50 30 KKEARN O=C(NO)C1CCC(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000020665287 553686609 /nfs/dbraw/zinc/68/66/09/553686609.db2.gz FKZIQNOIJNNJMV-UHFFFAOYSA-N 0 0 505.851 5.150 50 30 KKEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)c5ccccc5Cl)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085898584 553690941 /nfs/dbraw/zinc/69/09/41/553690941.db2.gz KCGHQGJRWNZURY-CYBWMGDSSA-N 0 0 834.315 5.797 50 30 KKEARN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@](O)(C#C[C@H]4c5c(cc6c(c5OC)OCO6)CCN4C)[C@@]3(C)CC[C@H]21 ZINC000020112334 553694233 /nfs/dbraw/zinc/69/42/33/553694233.db2.gz ZATVJUKEEGPYDP-TZJSCCGMSA-N 0 0 529.677 5.252 50 30 biogenic KKEARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\CC(C)C/C(=C\c2cn(-c3ccccc3)nc2CC(C)C)C1=O ZINC000020115470 553697099 /nfs/dbraw/zinc/69/70/99/553697099.db2.gz QJGMWIFWASDVRF-KUKFKUQFSA-N 0 0 532.732 7.921 50 30 KKEARN Cc1ccccc1Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000095100396 553698949 /nfs/dbraw/zinc/69/89/49/553698949.db2.gz WWLHTSCXTQWEPE-UHFFFAOYSA-N 0 0 622.254 7.773 50 30 KKEARN Cc1ccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000095100395 553698985 /nfs/dbraw/zinc/69/89/85/553698985.db2.gz YMNYAUKKXULONN-UHFFFAOYSA-N 0 0 622.254 7.773 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000020850045 553699668 /nfs/dbraw/zinc/69/96/68/553699668.db2.gz LSGRZYULRGJPMN-QHCPKHFHSA-N 0 0 509.031 5.573 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@H]2c2cccc(Br)c2)C1 ZINC000020850526 553699895 /nfs/dbraw/zinc/69/98/95/553699895.db2.gz DBESXPVECHQLQY-NRFANRHFSA-N 0 0 513.436 6.130 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@@H]2c2cccc(Br)c2)C1 ZINC000020850523 553699921 /nfs/dbraw/zinc/69/99/21/553699921.db2.gz DBESXPVECHQLQY-OAQYLSRUSA-N 0 0 513.436 6.130 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(C(F)(F)C(F)(F)F)C1(F)F ZINC000095681827 553707812 /nfs/dbraw/zinc/70/78/12/553707812.db2.gz KJWVJLNGXBWWIH-GBCCSWAOSA-N 0 0 566.076 6.920 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681844 553707860 /nfs/dbraw/zinc/70/78/60/553707860.db2.gz WNZGTRLARPEMIG-UHFFFAOYSA-N 0 0 638.080 8.464 50 30 KKEARN CCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095681937 553707954 /nfs/dbraw/zinc/70/79/54/553707954.db2.gz OYZAKTFEOGBLIT-UHFFFAOYSA-N 0 0 513.503 6.310 50 30 KKEARN FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)F ZINC000095681892 553707998 /nfs/dbraw/zinc/70/79/98/553707998.db2.gz CAKZCCWLOCDNJK-UHFFFAOYSA-N 0 0 580.065 6.011 50 30 KKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681885 553708005 /nfs/dbraw/zinc/70/80/05/553708005.db2.gz DSNMEFYRPYNWJJ-UHFFFAOYSA-N 0 0 520.076 6.896 50 30 KKEARN Cc1oc(C(C)(C)C)cc1-c1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000095704561 553709029 /nfs/dbraw/zinc/70/90/29/553709029.db2.gz FYRVCSCLLZKXIO-UHFFFAOYSA-N 0 0 634.499 9.318 50 30 KKEARN O=C(/N=C1/C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000095707615 553709445 /nfs/dbraw/zinc/70/94/45/553709445.db2.gz BEKWQUHNMSJNNW-FZKWRIDDSA-N 0 0 637.345 8.195 50 30 KKEARN N#Cc1c(S[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000095723027 553710319 /nfs/dbraw/zinc/71/03/19/553710319.db2.gz MQSHMHJLWFUAKM-JOCHJYFZSA-N 0 0 631.545 9.210 50 30 KKEARN N=C(NOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742554 553711780 /nfs/dbraw/zinc/71/17/80/553711780.db2.gz HIFWLEMRIQRFFX-UHFFFAOYSA-N 0 0 544.761 6.059 50 30 KKEARN FC(F)(F)c1c(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cnn1-c1ccc(Cl)cc1 ZINC000095742553 553711787 /nfs/dbraw/zinc/71/17/87/553711787.db2.gz OUPXKJKWFFUOEE-UHFFFAOYSA-N 0 0 526.746 7.299 50 30 KKEARN N=C(NOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742547 553711845 /nfs/dbraw/zinc/71/18/45/553711845.db2.gz MONHGHMHUQIYHK-UHFFFAOYSA-N 0 0 555.313 5.314 50 30 KKEARN O=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742568 553712209 /nfs/dbraw/zinc/71/22/09/553712209.db2.gz AOCBSEOHMMJDRB-UHFFFAOYSA-N 0 0 519.307 6.240 50 30 KKEARN CCCCCCCCCCCCN1c2ccccc2C(c2ccc(O)c(C)c2)(c2ccc(O)c(C)c2)C1=O ZINC000095742841 553712418 /nfs/dbraw/zinc/71/24/18/553712418.db2.gz IPLDPYBUMHJVOM-UHFFFAOYSA-N 0 0 513.722 8.317 50 30 KKEARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000095909126 553714661 /nfs/dbraw/zinc/71/46/61/553714661.db2.gz WVECGOSHLCROMP-VXNXHJTFSA-N 0 0 520.010 5.212 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000096022102 553719644 /nfs/dbraw/zinc/71/96/44/553719644.db2.gz WZPRDWMTJSFJHO-XMMPIXPASA-N 0 0 560.672 6.192 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCC(CC3CCC(NC(=O)NC(C)(C)c4cccc(C(=C)C)c4)CC3)CC2)c1 ZINC000096022339 553720967 /nfs/dbraw/zinc/72/09/67/553720967.db2.gz KERVJBWQWZSUJB-UHFFFAOYSA-N 0 0 612.903 9.029 50 30 KKEARN N#Cc1c(/N=C2/c3cc(Br)ccc3N(CN(Cc3ccccc3)Cc3ccccc3)C2=O)sc2c1CCCC2 ZINC000096022462 553721248 /nfs/dbraw/zinc/72/12/48/553721248.db2.gz HJYHURCNNXVAIG-GXVXDJONSA-N 0 0 595.566 7.388 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 ZINC000022022806 553722848 /nfs/dbraw/zinc/72/28/48/553722848.db2.gz NYOSJKJTZXAPBQ-FQEVSTJZSA-N 0 0 501.808 5.447 50 30 KKEARN C=C(C)COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000096115437 553725648 /nfs/dbraw/zinc/72/56/48/553725648.db2.gz OTFAXMLNPJEHRH-NAKRPHOHSA-N 0 0 513.546 5.297 50 30 biogenic KKEARN C=C(C)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000096115440 553726166 /nfs/dbraw/zinc/72/61/66/553726166.db2.gz OTFAXMLNPJEHRH-LBNVMWSVSA-N 0 0 513.546 5.297 50 30 biogenic KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1 ZINC000096287511 553738556 /nfs/dbraw/zinc/73/85/56/553738556.db2.gz XEMMFSGRJIYGDI-XMMPIXPASA-N 0 0 510.059 5.935 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000096287560 553738864 /nfs/dbraw/zinc/73/88/64/553738864.db2.gz URLOGWBPVFWANH-HSZRJFAPSA-N 0 0 515.462 5.888 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)CCC4CCCC4)CC3)cc2=O)cc1 ZINC000022675433 553749504 /nfs/dbraw/zinc/74/95/04/553749504.db2.gz HYJCMWVOLOCIQA-UHFFFAOYSA-N 0 0 525.649 5.372 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000096317085 553749842 /nfs/dbraw/zinc/74/98/42/553749842.db2.gz MRAFLAQWPUQROE-AFJIDDCJSA-N 0 0 533.621 5.265 50 30 KKEARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1C#N ZINC000022821661 553751456 /nfs/dbraw/zinc/75/14/56/553751456.db2.gz KZWOHHGEYAEVBB-UHFFFAOYSA-N 0 0 500.333 5.563 50 30 KKEARN CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022816725 553751460 /nfs/dbraw/zinc/75/14/60/553751460.db2.gz VIQCGTZFEYDQMR-UHFFFAOYSA-N 0 0 591.784 8.000 50 30 world KKEARN C=CCOc1ccc(/C=C/c2cc(/C=C\c3ccc(OCC=C)cc3)nc(-c3ccc(OCC=C)cc3)n2)cc1 ZINC000096594581 553756927 /nfs/dbraw/zinc/75/69/27/553756927.db2.gz CHFLPLIJWWXJLB-BSHIDLADSA-N 0 0 528.652 8.179 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000096663558 553757368 /nfs/dbraw/zinc/75/73/68/553757368.db2.gz OUKAQTQCSSQVPS-VUJYMNLJSA-N 0 0 520.582 5.824 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000097464698 553758701 /nfs/dbraw/zinc/75/87/01/553758701.db2.gz XXQTYFJRXWYYRF-CVKSISIWSA-N 0 0 514.578 6.250 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000097466910 553758788 /nfs/dbraw/zinc/75/87/88/553758788.db2.gz ABYDHYOKWNFNCQ-QJYUKRAPSA-N 0 0 505.434 5.879 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000097939635 553759996 /nfs/dbraw/zinc/75/99/96/553759996.db2.gz DGVNITGPVSEIEZ-DWXRJYCRSA-N 0 0 535.687 5.821 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939798 553761277 /nfs/dbraw/zinc/76/12/77/553761277.db2.gz WUPOFSCADWGEGG-GJBXTBEHSA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2c(F)cccc2Cl)cc1OC ZINC000097939801 553761286 /nfs/dbraw/zinc/76/12/86/553761286.db2.gz GOLWPXKITFQQCE-QJWGWKRISA-N 0 0 561.053 6.805 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000097939818 553761547 /nfs/dbraw/zinc/76/15/47/553761547.db2.gz JQRILQWMDGNMJI-SLGOVJDISA-N 0 0 554.712 6.734 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939863 553761862 /nfs/dbraw/zinc/76/18/62/553761862.db2.gz UZSLDONIGZVZEZ-KTBRYMIGSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939843 553761867 /nfs/dbraw/zinc/76/18/67/553761867.db2.gz DPKBUYFRRAYJAY-NRUKRWIHSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097939872 553762179 /nfs/dbraw/zinc/76/21/79/553762179.db2.gz UJMVCHZLOQXTHU-APYJYERMSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000097939908 553762458 /nfs/dbraw/zinc/76/24/58/553762458.db2.gz RBGWZPBVIJVHLZ-JCOAXYOVSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939917 553762468 /nfs/dbraw/zinc/76/24/68/553762468.db2.gz ZGRCPTCXKMLPSU-IANOAQMISA-N 0 0 582.697 6.420 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939911 553762489 /nfs/dbraw/zinc/76/24/89/553762489.db2.gz BHGWDRBVNVHQLO-UDNBHOFDSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939913 553762546 /nfs/dbraw/zinc/76/25/46/553762546.db2.gz BHGWDRBVNVHQLO-HEIROHQZSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000097939941 553762774 /nfs/dbraw/zinc/76/27/74/553762774.db2.gz SGEBLTFVENOUIO-UGDMGKLASA-N 0 0 570.711 6.435 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C)c1 ZINC000097939951 553762793 /nfs/dbraw/zinc/76/27/93/553762793.db2.gz BZGGORQTJLDJBD-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2coc3ccc(C)cc3c2=O)c1 ZINC000097939969 553762970 /nfs/dbraw/zinc/76/29/70/553762970.db2.gz OVIDEGAEKATSHU-CHJDUVSTSA-N 0 0 557.643 5.440 50 30 KKEARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCN(c4nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n4)CC3)n2)cc1 ZINC000097940228 553763731 /nfs/dbraw/zinc/76/37/31/553763731.db2.gz RZEWGXVPPHKNDC-UHFFFAOYSA-N 0 0 786.582 7.231 50 30 KKEARN CC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCN(c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3)CC2)n1 ZINC000097940223 553763748 /nfs/dbraw/zinc/76/37/48/553763748.db2.gz PUCFKBJPLGEKFI-MRVPVSSYSA-N 0 0 813.445 6.210 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000097940398 553764928 /nfs/dbraw/zinc/76/49/28/553764928.db2.gz DPXBUTPRCUCBKR-UHFFFAOYSA-N 0 0 542.510 5.028 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2C(F)(F)F)c1-c1cc(F)cc(F)c1 ZINC000097940491 553765652 /nfs/dbraw/zinc/76/56/52/553765652.db2.gz IYTZBAJSMHPDDD-UHFFFAOYSA-N 0 0 570.480 8.513 50 30 KKEARN O=C(C1=C(c2ccccc2)OC(=O)/C1=C1/C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1)c1ccccc1 ZINC000097944320 553769048 /nfs/dbraw/zinc/76/90/48/553769048.db2.gz FSVWIVVAKVCZLI-OCEACIFDSA-N 0 0 524.528 5.985 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000097944440 553769583 /nfs/dbraw/zinc/76/95/83/553769583.db2.gz SGKREAMAHMVQDN-HDGGNTCISA-N 0 0 654.586 8.111 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N/c3ccc(F)cc3)N(C3CCCCC3)C2=O)c2ccccc21)N1CCOCC1 ZINC000097944919 553770314 /nfs/dbraw/zinc/77/03/14/553770314.db2.gz KQCJQMKVBSBTPR-WNKABTNQSA-N 0 0 546.668 5.576 50 30 KKEARN COc1ccc(Cl)cc1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1 ZINC000097945300 553771220 /nfs/dbraw/zinc/77/12/20/553771220.db2.gz JRPXLPUBVWDWRN-UHFFFAOYSA-N 0 0 520.854 6.378 50 30 KKEARN O=C(Cc1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000097945813 553774895 /nfs/dbraw/zinc/77/48/95/553774895.db2.gz XIQMHGHIBKBPHS-CAQRMWTPSA-N 0 0 537.034 7.622 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000097945906 553775479 /nfs/dbraw/zinc/77/54/79/553775479.db2.gz OHORUJATEPASPZ-GZGVDWRWSA-N 0 0 538.688 7.493 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccs3)C2)cc1 ZINC000097946028 553776110 /nfs/dbraw/zinc/77/61/10/553776110.db2.gz FAKLVZSYEGABCR-IIMAJNMQSA-N 0 0 541.072 7.625 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSCc3ccccc3Cl)cc2)c1 ZINC000023433764 553776244 /nfs/dbraw/zinc/77/62/44/553776244.db2.gz AMPQOSCZLUTERT-YHQISMHQSA-N 0 0 503.067 6.860 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1C ZINC000097946393 553779034 /nfs/dbraw/zinc/77/90/34/553779034.db2.gz CKFXXPMDFGHWRP-MDINZUHSSA-N 0 0 660.796 5.921 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000097946540 553780017 /nfs/dbraw/zinc/78/00/17/553780017.db2.gz AGZMBLCJMMGRBP-JFVMLZFZSA-N 0 0 526.772 6.047 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445533 553780038 /nfs/dbraw/zinc/78/00/38/553780038.db2.gz MBIHPGRJYDMHLY-SSEXGKCCSA-N 0 0 512.629 5.013 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3F)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023446100 553780346 /nfs/dbraw/zinc/78/03/46/553780346.db2.gz VNRJGYIDBGXWNN-PMERELPUSA-N 0 0 512.629 5.013 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C(O)C=Cc4ccccc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000097946750 553781616 /nfs/dbraw/zinc/78/16/16/553781616.db2.gz AQIDXHJXZXUOFT-XXFRDUSWSA-N 0 0 526.643 5.716 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 ZINC000097946789 553781660 /nfs/dbraw/zinc/78/16/60/553781660.db2.gz OYABRSWPPBMEQD-DHFYGYITSA-N 0 0 505.640 5.236 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(F)c3F)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023452570 553782780 /nfs/dbraw/zinc/78/27/80/553782780.db2.gz ADPLWWWDHLTFSN-LJAQVGFWSA-N 0 0 530.619 5.153 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097947223 553784708 /nfs/dbraw/zinc/78/47/08/553784708.db2.gz WPEJPPBEJYHCMI-BCJTWVECSA-N 0 0 617.840 9.443 50 30 KKEARN CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O ZINC000097947303 553785216 /nfs/dbraw/zinc/78/52/16/553785216.db2.gz IAPINXBDSDMTQQ-MOHJPFBDSA-N 0 0 550.750 6.185 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCc1ccccc1C#N ZINC000023460532 553785832 /nfs/dbraw/zinc/78/58/32/553785832.db2.gz QZMGGMXAWDGHPW-HXUWFJFHSA-N 0 0 512.701 5.047 50 30 KKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097947883 553789503 /nfs/dbraw/zinc/78/95/03/553789503.db2.gz BKNJWSFTJNGJHM-HKBQPEDESA-N 0 0 545.079 7.481 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000024193147 553790211 /nfs/dbraw/zinc/79/02/11/553790211.db2.gz RQAQDPZQKABVSU-FQEVSTJZSA-N 0 0 519.604 5.470 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000097948009 553790453 /nfs/dbraw/zinc/79/04/53/553790453.db2.gz OYEUTFRJQMDYKN-TYBYDDOHSA-N 0 0 548.727 7.943 50 30 KKEARN C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000097948030 553790713 /nfs/dbraw/zinc/79/07/13/553790713.db2.gz USFSQOXAWMZEHH-FQEVSTJZSA-N 0 0 549.766 6.475 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C3=C(C(=O)CC(C)(C)C3)C(c3ccccc3)C3=C1CC(C)(C)CC3=O)CCCC2 ZINC000097948213 553791990 /nfs/dbraw/zinc/79/19/90/553791990.db2.gz HHDQHGGKBRNWPN-UHFFFAOYSA-N 0 0 557.756 7.694 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000097948281 553792612 /nfs/dbraw/zinc/79/26/12/553792612.db2.gz FPSKDYIMKVIZJO-XVVZCJMVSA-N 0 0 560.742 7.503 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000025076634 553792893 /nfs/dbraw/zinc/79/28/93/553792893.db2.gz WBJHKDCMDCKNJL-NDEPHWFRSA-N 0 0 534.096 8.131 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000097948326 553793202 /nfs/dbraw/zinc/79/32/02/553793202.db2.gz GFOTYEIGTPUQFY-NLGDKJDOSA-N 0 0 563.495 7.972 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(F)c(F)c2)s1)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025144126 553794201 /nfs/dbraw/zinc/79/42/01/553794201.db2.gz LIWUTIJGZNPYPG-IALNVXBWSA-N 0 0 504.602 6.626 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097948529 553794671 /nfs/dbraw/zinc/79/46/71/553794671.db2.gz IMQXVDFAEYSWIE-QYTMHSNXSA-N 0 0 578.753 8.252 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025144908 553794736 /nfs/dbraw/zinc/79/47/36/553794736.db2.gz WQNSTOCZOPQRST-GDLZYMKVSA-N 0 0 509.606 5.337 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3cc4ccccc4s3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025149725 553796058 /nfs/dbraw/zinc/79/60/58/553796058.db2.gz BFANZKIAJBRRBQ-MHZLTWQESA-N 0 0 511.647 5.497 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000097948744 553796296 /nfs/dbraw/zinc/79/62/96/553796296.db2.gz OCPAXRCCGYMFLW-KWXDVARASA-N 0 0 601.747 7.764 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000097948764 553796518 /nfs/dbraw/zinc/79/65/18/553796518.db2.gz ZOVDFKQUBIDLDH-GFJKYASSSA-N 0 0 602.493 8.747 50 30 KKEARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1 ZINC000097948815 553796867 /nfs/dbraw/zinc/79/68/67/553796867.db2.gz CKHGIWDMDXHYCG-UHFFFAOYSA-N 0 0 605.554 5.574 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097948834 553797059 /nfs/dbraw/zinc/79/70/59/553797059.db2.gz FRZVDVUBNUZSQZ-MFUHDEKWSA-N 0 0 605.819 9.331 50 30 KKEARN CC(C)(C)c1cc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000097948972 553798201 /nfs/dbraw/zinc/79/82/01/553798201.db2.gz JHRDMCPAFWRGOW-GRMGDBHTSA-N 0 0 622.806 9.402 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097949141 553799673 /nfs/dbraw/zinc/79/96/73/553799673.db2.gz JLVNIBDQKBOMHV-JEHQLEFQSA-N 0 0 650.728 6.953 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097949142 553799757 /nfs/dbraw/zinc/79/97/57/553799757.db2.gz JLVNIBDQKBOMHV-LUWBXXKHSA-N 0 0 650.728 6.953 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097949242 553800524 /nfs/dbraw/zinc/80/05/24/553800524.db2.gz LOIMSBNQCOCWBD-WXWXLQMXSA-N 0 0 685.220 9.541 50 30 KKEARN O=C(N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949297 553801136 /nfs/dbraw/zinc/80/11/36/553801136.db2.gz JRTJKWBOJBRAKC-UHFFFAOYSA-N 0 0 778.222 7.135 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000097949504 553801939 /nfs/dbraw/zinc/80/19/39/553801939.db2.gz QPZMWZRJXBVCBG-SDHSZQHLSA-N 0 0 527.365 5.575 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(F)cc2C(F)(F)F)c1-c1ccc(C#N)cc1 ZINC000025160428 553802093 /nfs/dbraw/zinc/80/20/93/553802093.db2.gz NGYJOJUAHZUUMA-UHFFFAOYSA-N 0 0 509.503 7.227 50 30 KKEARN CCCCCCCCCCCCn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097949569 553802232 /nfs/dbraw/zinc/80/22/32/553802232.db2.gz ZSYSBQRQZKWNSF-UHFFFAOYSA-N 0 0 506.801 7.577 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCC2)C(F)(F)F ZINC000097950358 553804020 /nfs/dbraw/zinc/80/40/20/553804020.db2.gz LZGUYJSAYHORJW-HXUWFJFHSA-N 0 0 519.467 5.181 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000097950610 553804994 /nfs/dbraw/zinc/80/49/94/553804994.db2.gz MAYIAXLCPIYMKQ-HKBQPEDESA-N 0 0 539.628 5.864 50 30 KKEARN O=S(=O)(c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)N3CCCCCC3)ccc1-2)N1CCCCCC1 ZINC000097950726 553805230 /nfs/dbraw/zinc/80/52/30/553805230.db2.gz GMXQXLKPJRKWPR-UHFFFAOYSA-N 0 0 592.787 5.661 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950756 553805538 /nfs/dbraw/zinc/80/55/38/553805538.db2.gz ZIPKTQLZRBQNEO-QFIPXVFZSA-N 0 0 601.910 8.639 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000097950927 553806285 /nfs/dbraw/zinc/80/62/85/553806285.db2.gz KBZUQJHRQKIRCW-HSZRJFAPSA-N 0 0 598.037 7.794 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cccs3)c2C(=O)OCC)nnc1C1CCCCC1 ZINC000025391432 553807212 /nfs/dbraw/zinc/80/72/12/553807212.db2.gz QGBUKUDXOGHOBH-UHFFFAOYSA-N 0 0 516.714 6.209 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N3)CCCC2 ZINC000097951138 553807252 /nfs/dbraw/zinc/80/72/52/553807252.db2.gz UOWYNTBIXGYVEF-QFBILLFUSA-N 0 0 540.398 6.914 50 30 KKEARN CCCCCCCCCCCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951239 553807841 /nfs/dbraw/zinc/80/78/41/553807841.db2.gz GAKRGBAUECWBKY-UHFFFAOYSA-N 0 0 527.844 9.664 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000097951336 553808346 /nfs/dbraw/zinc/80/83/46/553808346.db2.gz MTJQYQFMQGLLCM-PMERELPUSA-N 0 0 548.724 8.654 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000097951433 553808901 /nfs/dbraw/zinc/80/89/01/553808901.db2.gz BSAGYUOTFJHYHX-HKBQPEDESA-N 0 0 535.744 9.194 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000097951551 553809581 /nfs/dbraw/zinc/80/95/81/553809581.db2.gz DBTMZAQLVJOVLE-WJOKGBTCSA-N 0 0 533.753 8.755 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC ZINC000097951559 553809610 /nfs/dbraw/zinc/80/96/10/553809610.db2.gz XJBPBSWMWLNJFT-MUUNZHRXSA-N 0 0 501.708 7.470 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000097951609 553810200 /nfs/dbraw/zinc/81/02/00/553810200.db2.gz MRDZFEGRZYNGRI-WJOKGBTCSA-N 0 0 546.667 7.045 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000097951660 553810475 /nfs/dbraw/zinc/81/04/75/553810475.db2.gz BRQPPRMTOOAFGW-PMERELPUSA-N 0 0 521.717 8.885 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097951709 553810789 /nfs/dbraw/zinc/81/07/89/553810789.db2.gz XWHGPOJRRDAREM-WJOKGBTCSA-N 0 0 546.667 7.045 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000097951735 553810892 /nfs/dbraw/zinc/81/08/92/553810892.db2.gz JMDZDRHJKSSXHF-WJOKGBTCSA-N 0 0 533.753 8.755 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000097951795 553811535 /nfs/dbraw/zinc/81/15/35/553811535.db2.gz CNJQPMDVVKQWKL-QJOMJCCJSA-N 0 0 542.499 5.876 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951840 553811781 /nfs/dbraw/zinc/81/17/81/553811781.db2.gz HUYHSAPZWPPJMG-VWLOTQADSA-N 0 0 532.593 6.324 50 30 KKEARN N=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025584860 553811937 /nfs/dbraw/zinc/81/19/37/553811937.db2.gz IPPHDEKJJJFSTE-HMCZTYNUSA-N 0 0 514.545 6.886 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000097952018 553812558 /nfs/dbraw/zinc/81/25/58/553812558.db2.gz NQWCRAJCBSASTG-JOCHJYFZSA-N 0 0 516.063 5.428 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000097952168 553813424 /nfs/dbraw/zinc/81/34/24/553813424.db2.gz MSXPZMDZTRNSMP-HKBQPEDESA-N 0 0 532.640 6.871 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000097952192 553813790 /nfs/dbraw/zinc/81/37/90/553813790.db2.gz YWGQJLVWIHVMME-NDEPHWFRSA-N 0 0 537.568 5.732 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952194 553813849 /nfs/dbraw/zinc/81/38/49/553813849.db2.gz DWPCHPRUQJAFJB-HHHXNRCGSA-N 0 0 540.641 6.605 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952195 553813855 /nfs/dbraw/zinc/81/38/55/553813855.db2.gz DWPCHPRUQJAFJB-MHZLTWQESA-N 0 0 540.641 6.605 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952251 553814105 /nfs/dbraw/zinc/81/41/05/553814105.db2.gz XXUJPEIJDDMEMV-MHZLTWQESA-N 0 0 542.657 6.829 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952220 553814116 /nfs/dbraw/zinc/81/41/16/553814116.db2.gz PZACVEUFLPZCKS-RUZDIDTESA-N 0 0 530.602 5.667 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000097952227 553814192 /nfs/dbraw/zinc/81/41/92/553814192.db2.gz MNKZCTOEAJTYIG-SSEXGKCCSA-N 0 0 537.612 6.734 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952229 553814196 /nfs/dbraw/zinc/81/41/96/553814196.db2.gz VBBXCKHMRUVKPI-SANMLTNESA-N 0 0 526.614 6.215 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952281 553814398 /nfs/dbraw/zinc/81/43/98/553814398.db2.gz ODTFGXBFZRAKGI-RUZDIDTESA-N 0 0 533.049 7.082 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000097952295 553814753 /nfs/dbraw/zinc/81/47/53/553814753.db2.gz UDDXZXAJNPDBES-WJOKGBTCSA-N 0 0 549.671 6.563 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097952326 553815107 /nfs/dbraw/zinc/81/51/07/553815107.db2.gz GYQZKUKQXBQQLM-MHZLTWQESA-N 0 0 524.529 5.854 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097952521 553816321 /nfs/dbraw/zinc/81/63/21/553816321.db2.gz LKUVXGJWKSYNKB-PMERELPUSA-N 0 0 534.612 6.146 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000097952527 553816338 /nfs/dbraw/zinc/81/63/38/553816338.db2.gz KZNLBNCMLXRGFD-LJAQVGFWSA-N 0 0 537.616 5.448 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952571 553816698 /nfs/dbraw/zinc/81/66/98/553816698.db2.gz XVDSUYLHSCENFV-QHCPKHFHSA-N 0 0 549.446 6.413 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952605 553817011 /nfs/dbraw/zinc/81/70/11/553817011.db2.gz CZCRITUEPQRFLD-PMERELPUSA-N 0 0 535.644 6.002 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097952931 553817752 /nfs/dbraw/zinc/81/77/52/553817752.db2.gz HQIXXXBFSVOSFC-GDLZYMKVSA-N 0 0 543.616 5.814 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000026459101 553818471 /nfs/dbraw/zinc/81/84/71/553818471.db2.gz TZAFPMZIHSJRFW-SANMLTNESA-N 0 0 523.557 5.783 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953007 553818487 /nfs/dbraw/zinc/81/84/87/553818487.db2.gz QGFHJXVWMHBNAI-VWLOTQADSA-N 0 0 528.586 5.421 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000026459165 553818490 /nfs/dbraw/zinc/81/84/90/553818490.db2.gz VCEZGLGNRQZADY-MHZLTWQESA-N 0 0 513.521 5.785 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000097953089 553819131 /nfs/dbraw/zinc/81/91/31/553819131.db2.gz HLAXFRLNKBOUOS-QHCPKHFHSA-N 0 0 545.772 6.368 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097953106 553819537 /nfs/dbraw/zinc/81/95/37/553819537.db2.gz YAUYQAQFEURWEV-MUUNZHRXSA-N 0 0 531.785 9.047 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000097953950 553820422 /nfs/dbraw/zinc/82/04/22/553820422.db2.gz RLAIGGCNJUCMTO-HHHXNRCGSA-N 0 0 539.625 5.040 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097954061 553820908 /nfs/dbraw/zinc/82/09/08/553820908.db2.gz ZCZRDCYTIIOVLA-IIMAJNMQSA-N 0 0 541.644 6.222 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1 ZINC000097954092 553821319 /nfs/dbraw/zinc/82/13/19/553821319.db2.gz LDRVQZXQBAHOPL-AREMUKBSSA-N 0 0 513.619 5.501 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954196 553821997 /nfs/dbraw/zinc/82/19/97/553821997.db2.gz SJTHBNNJFSFNRK-OLILMLBXSA-N 0 0 543.616 5.212 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954194 553822018 /nfs/dbraw/zinc/82/20/18/553822018.db2.gz SJTHBNNJFSFNRK-WRONEBCDSA-N 0 0 543.616 5.212 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000097954419 553822826 /nfs/dbraw/zinc/82/28/26/553822826.db2.gz NGPHFQTZCVUTGW-LJAQVGFWSA-N 0 0 539.584 5.963 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000027018939 553823793 /nfs/dbraw/zinc/82/37/93/553823793.db2.gz FNFZIHGSLWFHIY-WQUKECCVSA-N 0 0 514.651 5.492 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954737 553824918 /nfs/dbraw/zinc/82/49/18/553824918.db2.gz UKODMAVGVHFVGM-JIYROHSKSA-N 0 0 545.635 6.410 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000027472327 553826007 /nfs/dbraw/zinc/82/60/07/553826007.db2.gz RCJXPNQSZAIQRY-JTOYJDTJSA-N 0 0 507.593 8.649 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1 ZINC000027500022 553826380 /nfs/dbraw/zinc/82/63/80/553826380.db2.gz SXNHJIRIVAQVDL-IKFKPMFZSA-N 0 0 507.409 6.603 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000097954985 553827168 /nfs/dbraw/zinc/82/71/68/553827168.db2.gz DEUXHZJIKRCGGA-DEOSSOPVSA-N 0 0 548.661 6.207 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955018 553827498 /nfs/dbraw/zinc/82/74/98/553827498.db2.gz LACSRIVUSLOSCQ-HPGBDJQBSA-N 0 0 588.657 6.729 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955031 553827523 /nfs/dbraw/zinc/82/75/23/553827523.db2.gz BFIQYJCVKFNWGX-QTEAWJPNSA-N 0 0 616.711 7.509 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955073 553828430 /nfs/dbraw/zinc/82/84/30/553828430.db2.gz YFNVHVSNWPDBPD-AKJBCIBTSA-N 0 0 542.613 5.810 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955102 553828748 /nfs/dbraw/zinc/82/87/48/553828748.db2.gz WGCVCFRTSUQHMQ-OQRWROFFSA-N 0 0 572.639 5.906 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000027522357 553828759 /nfs/dbraw/zinc/82/87/59/553828759.db2.gz VIYUXGMHULHOPP-FRDMNLSBSA-N 0 0 519.623 5.263 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027522494 553829066 /nfs/dbraw/zinc/82/90/66/553829066.db2.gz WSBJNKYGJKOGTB-IOYDYCAWSA-N 0 0 521.570 5.114 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955173 553829480 /nfs/dbraw/zinc/82/94/80/553829480.db2.gz KQPYGYLAGMSVCU-VOIUYBSRSA-N 0 0 560.628 5.299 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955210 553829872 /nfs/dbraw/zinc/82/98/72/553829872.db2.gz JRSAYIUCLRXWRK-NDEPHWFRSA-N 0 0 544.604 5.209 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955247 553830147 /nfs/dbraw/zinc/83/01/47/553830147.db2.gz ZJAGHHNVGGFHQH-WGDIFIGCSA-N 0 0 526.614 6.110 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955254 553830320 /nfs/dbraw/zinc/83/03/20/553830320.db2.gz FNMAQXFMRKZTMM-MQNRADLISA-N 0 0 547.032 6.455 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955583 553831578 /nfs/dbraw/zinc/83/15/78/553831578.db2.gz BMTLFIBQJUPEDI-XRHLQHRESA-N 0 0 538.625 6.276 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955604 553832007 /nfs/dbraw/zinc/83/20/07/553832007.db2.gz HINZALNEPYMKJS-QMTYFTJSSA-N 0 0 542.613 5.810 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000027532931 553832310 /nfs/dbraw/zinc/83/23/10/553832310.db2.gz XRJGFYOXKFFWIR-DEOSSOPVSA-N 0 0 503.624 5.556 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955653 553832419 /nfs/dbraw/zinc/83/24/19/553832419.db2.gz NHZNUWPSSODBAE-LMKMVOKYSA-N 0 0 541.585 5.928 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000097955645 553832511 /nfs/dbraw/zinc/83/25/11/553832511.db2.gz KHFKIBALSXSCIY-IZHWHUGBSA-N 0 0 550.405 5.265 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547615 553833002 /nfs/dbraw/zinc/83/30/02/553833002.db2.gz LMZQAUGREPMDBF-QHCPKHFHSA-N 0 0 504.936 6.364 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955701 553833134 /nfs/dbraw/zinc/83/31/34/553833134.db2.gz UYOVYQNSPYFGNZ-LMKMVOKYSA-N 0 0 531.033 6.673 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097955706 553833169 /nfs/dbraw/zinc/83/31/69/553833169.db2.gz FZJADHXKGAOPQK-MMTVBGGISA-N 0 0 545.636 5.063 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955735 553833637 /nfs/dbraw/zinc/83/36/37/553833637.db2.gz VLSDSOWSMUFISA-AFJIDDCJSA-N 0 0 568.695 7.198 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027550813 553834387 /nfs/dbraw/zinc/83/43/87/553834387.db2.gz ORIJFVGZWBZVCO-OAQYLSRUSA-N 0 0 520.642 7.040 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097956222 553837026 /nfs/dbraw/zinc/83/70/26/553837026.db2.gz MMFSSAASUWTSEJ-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000027987982 553837037 /nfs/dbraw/zinc/83/70/37/553837037.db2.gz UAYLATQCRYMEDQ-MUUNZHRXSA-N 0 0 515.606 6.047 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956534 553839431 /nfs/dbraw/zinc/83/94/31/553839431.db2.gz HATVPPTZTQFWCZ-DLUDVSRJSA-N 0 0 544.585 5.125 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097956572 553839915 /nfs/dbraw/zinc/83/99/15/553839915.db2.gz JOYRKHIDEAISSM-RJVOLCHMSA-N 0 0 680.754 6.961 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OCC)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000097956819 553842308 /nfs/dbraw/zinc/84/23/08/553842308.db2.gz DGNNSZUNFMZFLB-UHFFFAOYSA-N 0 0 529.540 5.945 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956846 553842657 /nfs/dbraw/zinc/84/26/57/553842657.db2.gz SPAOKHAKLBCRAE-HSZRJFAPSA-N 0 0 548.661 6.026 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000097956879 553842982 /nfs/dbraw/zinc/84/29/82/553842982.db2.gz KOTKKWBOEHDFQG-MUUNZHRXSA-N 0 0 594.689 6.773 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3cc4cc(Br)cc(Br)c4oc3=O)c2C#N)cc1 ZINC000028875303 553843904 /nfs/dbraw/zinc/84/39/04/553843904.db2.gz SWGZJGXCZFJFMW-UHFFFAOYSA-N 0 0 640.313 6.079 50 30 KKEARN CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC(C)C)CC(C)C)C1 ZINC000029492047 553845549 /nfs/dbraw/zinc/84/55/49/553845549.db2.gz GIKUBILGXYMSLL-GTNUZBGFSA-N 0 0 614.813 5.428 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccc(Br)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000097957732 553847723 /nfs/dbraw/zinc/84/77/23/553847723.db2.gz IVDQAWSOMTUTGB-HZVMBZBSSA-N 0 0 569.524 8.141 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000029747802 553848886 /nfs/dbraw/zinc/84/88/86/553848886.db2.gz CELSLVSRAQJBLD-RPFZEFQRSA-N 0 0 579.715 5.184 50 30 KKEARN O=C1/C(=C\c2ccccc2OCc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000097957893 553849558 /nfs/dbraw/zinc/84/95/58/553849558.db2.gz RAKRUQHKQGNXLV-PBMQEIBMSA-N 0 0 569.524 7.875 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccc(Cl)cc1 ZINC000097958265 553852698 /nfs/dbraw/zinc/85/26/98/553852698.db2.gz NIWBPHLJOYOCQW-UHFFFAOYSA-N 0 0 532.094 7.100 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000030072227 553855225 /nfs/dbraw/zinc/85/52/25/553855225.db2.gz CAGVQZRUWUZJTP-FZPRHHONSA-N 0 0 596.494 7.085 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097958549 553855532 /nfs/dbraw/zinc/85/55/32/553855532.db2.gz LTQYNHQTYBAPNO-WJEDRFGESA-N 0 0 580.150 7.468 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000097959110 553860749 /nfs/dbraw/zinc/86/07/49/553860749.db2.gz ANFHICMISRXHLT-DGTMVHHHSA-N 0 0 545.815 11.575 50 30 KKEARN S=C(NCc1ccccc1)N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097959141 553861108 /nfs/dbraw/zinc/86/11/08/553861108.db2.gz FTPQZWHWWGJRBN-RUMWWMSVSA-N 0 0 566.565 6.953 50 30 KKEARN Brc1ccc2[nH]cc(CN=Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCOCC4)n3)c2c1 ZINC000097959166 553861398 /nfs/dbraw/zinc/86/13/98/553861398.db2.gz ZOEPOXQNTQQPIO-ZCTHSVRISA-N 0 0 569.467 5.868 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000097959218 553861767 /nfs/dbraw/zinc/86/17/67/553861767.db2.gz TXTNTNUYNBLITB-VULFUBBASA-N 0 0 536.390 5.290 50 30 KKEARN Cc1ccc(-c2nc(N=NCc3cccc(Oc4ccccc4)c3)sc2NC(=O)c2ccc(F)cc2)cc1 ZINC000031829210 553861824 /nfs/dbraw/zinc/86/18/24/553861824.db2.gz OVSGXBBRIGSBNE-MZFJOGFUSA-N 0 0 522.605 7.748 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2ccc(Br)cc2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000097959486 553864286 /nfs/dbraw/zinc/86/42/86/553864286.db2.gz UGMPPFFMKYIWQP-WKULSOCRSA-N 0 0 543.347 6.491 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097959697 553865482 /nfs/dbraw/zinc/86/54/82/553865482.db2.gz NWCVPXAEEFZWNC-BXEUZNCQSA-N 0 0 603.594 5.979 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OC)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959713 553865897 /nfs/dbraw/zinc/86/58/97/553865897.db2.gz LHMULWNWFOCEAE-IMEPGBNMSA-N 0 0 591.686 5.092 50 30 KKEARN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000032124957 553865940 /nfs/dbraw/zinc/86/59/40/553865940.db2.gz FTQLYKJBYARPGM-AJYUCSOOSA-N 0 0 521.686 7.657 50 30 KKEARN COC(=O)COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000097959824 553866460 /nfs/dbraw/zinc/86/64/60/553866460.db2.gz PAIIMQOQUMDBRM-OVCLIPMQSA-N 0 0 516.200 5.199 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959862 553866841 /nfs/dbraw/zinc/86/68/41/553866841.db2.gz NXDAXDJNYMNPNI-UDNBHOFDSA-N 0 0 657.664 7.534 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097960021 553867751 /nfs/dbraw/zinc/86/77/51/553867751.db2.gz PBWAOCFLQXGNPZ-NGXVIIRPSA-N 0 0 660.924 10.561 50 30 KKEARN CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000097960113 553868292 /nfs/dbraw/zinc/86/82/92/553868292.db2.gz HHKIUHKRQIXOPK-CFRMEGHHSA-N 0 0 544.995 5.029 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000097960425 553871619 /nfs/dbraw/zinc/87/16/19/553871619.db2.gz HIZZOEQWNRUMOP-QRVIBDJDSA-N 0 0 557.897 7.199 50 30 KKEARN COc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(I)cc1 ZINC000097960867 553874058 /nfs/dbraw/zinc/87/40/58/553874058.db2.gz VJKVWVIUMFXGFV-YUMHPJSZSA-N 0 0 572.424 5.344 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2OC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000097961053 553875076 /nfs/dbraw/zinc/87/50/76/553875076.db2.gz PQQNCOXAZNQWKI-LVGRRZFUSA-N 0 0 536.694 6.936 50 30 KKEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccc(C(=O)Nc5nc(-c6ccc(C#N)cc6)cs5)cc4)cc3)n2)cc1 ZINC000097961278 553876671 /nfs/dbraw/zinc/87/66/71/553876671.db2.gz YWOKMPMPKKJZME-UHFFFAOYSA-N 0 0 624.707 7.974 50 30 KKEARN COc1cc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)/C3=N/c2ccc(O)cc2)cc(OC)c1OC ZINC000097961723 553880348 /nfs/dbraw/zinc/88/03/48/553880348.db2.gz BVVGZWQEWKBITO-QCKNELIISA-N 0 0 528.561 5.300 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2[nH]cc(/C=N\NC(=S)Nc3ccc(C)cc3Cl)c2c1 ZINC000032961203 553882334 /nfs/dbraw/zinc/88/23/34/553882334.db2.gz GIQDGGMECWMBRI-YSMPRRRNSA-N 0 0 506.097 5.261 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097962047 553882546 /nfs/dbraw/zinc/88/25/46/553882546.db2.gz SUDRMGZNSVDJRF-YIUMZSEDSA-N 0 0 567.646 5.558 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962073 553882808 /nfs/dbraw/zinc/88/28/08/553882808.db2.gz ZAASLADWTHHKQC-TZORRNHNSA-N 0 0 553.575 5.082 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962062 553882843 /nfs/dbraw/zinc/88/28/43/553882843.db2.gz FIZXMQRGQFCXIY-FRJOBGHKSA-N 0 0 573.609 6.140 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000097962085 553883063 /nfs/dbraw/zinc/88/30/63/553883063.db2.gz JHDKNMXLKLIMJB-XIXCFYKVSA-N 0 0 544.489 6.844 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(/C=C/C(=O)c4ccccc4)cc3)c2)cc1)c1ccccc1 ZINC000097962188 553883574 /nfs/dbraw/zinc/88/35/74/553883574.db2.gz RASXKCOVDFWNRF-SIHVKLMXSA-N 0 0 576.652 7.983 50 30 KKEARN COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000097962209 553883909 /nfs/dbraw/zinc/88/39/09/553883909.db2.gz NLHAILALPUCOBE-LSHDLFTRSA-N 0 0 589.895 7.107 50 30 KKEARN O=C(Oc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc2ccccc2c1)c1cccc2ccccc21 ZINC000097962945 553886062 /nfs/dbraw/zinc/88/60/62/553886062.db2.gz GIFHZIMAFLWVSI-QNKGDIEWSA-N 0 0 530.605 6.678 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=N)S1 ZINC000097962973 553886078 /nfs/dbraw/zinc/88/60/78/553886078.db2.gz RHDNAUBPBHRIPZ-QKAFQTIYSA-N 0 0 650.970 7.512 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/Sc3ccccc3N2C)c(=O)n1C ZINC000097964000 553895692 /nfs/dbraw/zinc/89/56/92/553895692.db2.gz BCNLFQNVEYJOOL-NGEYAPRZSA-N 0 0 731.045 7.826 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)NC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/Sc3ccccc3N2C)c(=O)n1CC ZINC000097964001 553895707 /nfs/dbraw/zinc/89/57/07/553895707.db2.gz QZUMWMOMVMTJQH-GEIPMFDKSA-N 0 0 745.072 8.309 50 30 KKEARN F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3[nH]cnc32)cc1OC(F)(F)[C@@H](F)C(F)(F)F ZINC000097965329 553904119 /nfs/dbraw/zinc/90/41/19/553904119.db2.gz LZDKHMCNTBMNCF-OTTGIUETSA-N 0 0 570.294 5.543 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965470 553904844 /nfs/dbraw/zinc/90/48/44/553904844.db2.gz ZTIFAPRUGODDSV-QTFMANHBSA-N 0 0 540.648 5.941 50 30 KKEARN O=S(=O)(N/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000097965613 553905603 /nfs/dbraw/zinc/90/56/03/553905603.db2.gz UNBNWJZPIVUFMS-WYMPLXKRSA-N 0 0 558.679 5.756 50 30 KKEARN N=C(Nc1nc2ccccc2s1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965547 553905607 /nfs/dbraw/zinc/90/56/07/553905607.db2.gz UEDVETDNTOFKOT-KOLCDFICSA-N 0 0 627.276 7.158 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000097966207 553907408 /nfs/dbraw/zinc/90/74/08/553907408.db2.gz KMLVTXCDOYVEDN-UVHMKAGCSA-N 0 0 528.859 7.260 50 30 KKEARN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1OCC ZINC000097966716 553909698 /nfs/dbraw/zinc/90/96/98/553909698.db2.gz WEKRSCBNGNLYRO-JFGKLCDSSA-N 0 0 642.818 7.259 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000097966749 553910046 /nfs/dbraw/zinc/91/00/46/553910046.db2.gz FORSEMNXOQCWEV-LJAQVGFWSA-N 0 0 553.615 5.153 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097966742 553910054 /nfs/dbraw/zinc/91/00/54/553910054.db2.gz ZSGRRMLUMLRIKX-AREMUKBSSA-N 0 0 571.512 5.237 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966800 553910346 /nfs/dbraw/zinc/91/03/46/553910346.db2.gz LOVZXAFGTVTFOL-SSEXGKCCSA-N 0 0 593.721 8.563 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966804 553910440 /nfs/dbraw/zinc/91/04/40/553910440.db2.gz KTJTXTKWRUTZFE-YWYRPYEBSA-N 0 0 574.762 9.054 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 ZINC000097966774 553910468 /nfs/dbraw/zinc/91/04/68/553910468.db2.gz UCZJNQMHPQHITO-WJOKGBTCSA-N 0 0 578.750 8.663 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097966835 553910749 /nfs/dbraw/zinc/91/07/49/553910749.db2.gz JSAPNSZNCPHKLB-SSEXGKCCSA-N 0 0 580.637 5.773 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966866 553911118 /nfs/dbraw/zinc/91/11/18/553911118.db2.gz CKCDOWLWXQZWIN-UMSFTDKQSA-N 0 0 582.656 7.540 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C ZINC000097966847 553911250 /nfs/dbraw/zinc/91/12/50/553911250.db2.gz FOBUOIKFHJJRTL-RUZDIDTESA-N 0 0 547.479 5.390 50 30 KKEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000033154896 553911363 /nfs/dbraw/zinc/91/13/63/553911363.db2.gz BXEBIZIOZORDAY-XQNWCSQWSA-N 0 0 525.674 5.062 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000097966917 553911945 /nfs/dbraw/zinc/91/19/45/553911945.db2.gz GGSZPINMMQFCSU-SANMLTNESA-N 0 0 571.512 5.237 50 30 KKEARN CC(=O)N1C(=O)C(=C2SC(=Nc3cc(Cl)cc(Cl)c3)NC2=O)c2cc(Br)ccc21 ZINC000097966907 553911958 /nfs/dbraw/zinc/91/19/58/553911958.db2.gz ZZMOGQDPEJGHJE-NXVVXOECSA-N 0 0 511.184 5.751 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000097967031 553913085 /nfs/dbraw/zinc/91/30/85/553913085.db2.gz QCHWFRJWEKFTBU-LJAQVGFWSA-N 0 0 595.523 6.181 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097967062 553913472 /nfs/dbraw/zinc/91/34/72/553913472.db2.gz WEGYRGQEFZMWQR-UGDMGKLASA-N 0 0 555.671 6.756 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097967137 553914346 /nfs/dbraw/zinc/91/43/46/553914346.db2.gz PIRPXBJZCCOGDX-WJOKGBTCSA-N 0 0 628.648 9.223 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1 ZINC000097967212 553915254 /nfs/dbraw/zinc/91/52/54/553915254.db2.gz YBIQUXVMBCRXLY-PMERELPUSA-N 0 0 661.519 10.271 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967274 553916402 /nfs/dbraw/zinc/91/64/02/553916402.db2.gz GHOPCFOADZDUFM-KEEVHDRGSA-N 0 0 598.721 7.207 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967422 553918139 /nfs/dbraw/zinc/91/81/39/553918139.db2.gz GZHAIEBSDDTKGC-JGCGQSQUSA-N 0 0 577.633 6.214 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967438 553918470 /nfs/dbraw/zinc/91/84/70/553918470.db2.gz MDEUDPYMMFEUJI-SLQAJWMNSA-N 0 0 582.678 6.675 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967455 553918914 /nfs/dbraw/zinc/91/89/14/553918914.db2.gz JRKIGLPJKGMXEQ-GHRAFVERSA-N 0 0 602.712 7.598 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967533 553919688 /nfs/dbraw/zinc/91/96/88/553919688.db2.gz CTGKVTOMPLIJOC-CBZJRKILSA-N 0 0 590.698 6.338 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967625 553920952 /nfs/dbraw/zinc/92/09/52/553920952.db2.gz VMZVETOSLLRHKT-DXPJPUQTSA-N 0 0 561.059 6.845 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967623 553921028 /nfs/dbraw/zinc/92/10/28/553921028.db2.gz VMZVETOSLLRHKT-QMTYFTJSSA-N 0 0 561.059 6.845 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967612 553921055 /nfs/dbraw/zinc/92/10/55/553921055.db2.gz SGPLLRQOKWLXMN-CBZJRKILSA-N 0 0 554.624 5.976 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967670 553921421 /nfs/dbraw/zinc/92/14/21/553921421.db2.gz GNFQORWHTZHRIM-IZHWHUGBSA-N 0 0 561.457 6.474 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967649 553921495 /nfs/dbraw/zinc/92/14/95/553921495.db2.gz JPNQZRSZEZYKBF-CLYVBNDRSA-N 0 0 554.624 5.837 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097967728 553922227 /nfs/dbraw/zinc/92/22/27/553922227.db2.gz QTFJONJPXTTYEU-HKBQPEDESA-N 0 0 571.670 6.102 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967764 553922785 /nfs/dbraw/zinc/92/27/85/553922785.db2.gz QWTKHTQEXANXAI-ADXZGYQBSA-N 0 0 640.714 6.322 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967751 553922831 /nfs/dbraw/zinc/92/28/31/553922831.db2.gz HNNMPCKKTLHDPD-WRHNGFHOSA-N 0 0 568.651 6.366 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097967783 553923122 /nfs/dbraw/zinc/92/31/22/553923122.db2.gz OXGFGOMICABOAL-PNQUVVCRSA-N 0 0 567.325 8.847 50 30 KKEARN S=c1nc(-c2ccc(Br)cc2)n(Cc2ccccc2)c(=S)n1/C(=N/Cc1ccccc1)c1ccc(Br)cc1 ZINC000033353105 553923133 /nfs/dbraw/zinc/92/31/33/553923133.db2.gz BNFDPOGGAMWXCI-MUGXBBEHSA-N 0 0 662.476 8.879 50 30 KKEARN CCc1cc(/C=N/c2ccc(-c3ccc(/N=C\c4cc(CC)sc4SCc4ccccc4)cc3)cc2)c(SCc2ccccc2)s1 ZINC000033353287 553924219 /nfs/dbraw/zinc/92/42/19/553924219.db2.gz VRDIRPMJGHBGGS-LTEVTRLRSA-N 0 0 673.010 12.687 50 30 KKEARN Cc1ccc(-c2ccc(C=NN=c3nc4[nH]onc-4nc3Nc3ccc(Br)cc3)o2)cc1Cl ZINC000033353327 553924448 /nfs/dbraw/zinc/92/44/48/553924448.db2.gz ILYWRLIRHVRFGG-OPEKNORGSA-N 0 0 524.766 6.187 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967875 553924607 /nfs/dbraw/zinc/92/46/07/553924607.db2.gz PJVNFSLGBYOTMJ-YRVHBCJASA-N 0 0 578.621 7.334 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033353371 553924789 /nfs/dbraw/zinc/92/47/89/553924789.db2.gz FFWUWTDTWWDPTR-XMOWVWMESA-N 0 0 619.621 8.840 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]4c2ccco2)cc1OC ZINC000097967897 553924883 /nfs/dbraw/zinc/92/48/83/553924883.db2.gz KFJAQLDXMIMFBS-GCZXQCHUSA-N 0 0 598.019 5.719 50 30 KKEARN COc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000033353421 553925116 /nfs/dbraw/zinc/92/51/16/553925116.db2.gz DFLCPSCWANGWHP-JVCXMKTPSA-N 0 0 534.435 6.501 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000033353779 553926994 /nfs/dbraw/zinc/92/69/94/553926994.db2.gz BLGRVSHUXLXVHX-WEZXKFLESA-N 0 0 572.658 6.040 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1O ZINC000033353784 553927041 /nfs/dbraw/zinc/92/70/41/553927041.db2.gz VVOWUEMHDHOZEJ-IBYKIAQLSA-N 0 0 553.500 7.792 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(Cl)cc2)cc1 ZINC000097968050 553927083 /nfs/dbraw/zinc/92/70/83/553927083.db2.gz ZYWOEVZXBYZTFI-NPJNASAPSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCCCCCCCCCSc1c(O)cc(Sc2nnnn2-c2ccccc2)c(O)c1Sc1ccc(Cl)cc1 ZINC000033353839 553927271 /nfs/dbraw/zinc/92/72/71/553927271.db2.gz DFEMBCDNSOJVTO-UHFFFAOYSA-N 0 0 629.317 10.042 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000033353982 553927944 /nfs/dbraw/zinc/92/79/44/553927944.db2.gz BMUCWZHPQDMYGF-NRFANRHFSA-N 0 0 523.456 5.697 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]4c2ccco2)cc1 ZINC000097968148 553928333 /nfs/dbraw/zinc/92/83/33/553928333.db2.gz AKUNBQLBGDDJON-SECJDEBPSA-N 0 0 567.993 5.710 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968269 553929902 /nfs/dbraw/zinc/92/99/02/553929902.db2.gz ZXIHEYVDYYIKBU-HHHXNRCGSA-N 0 0 572.639 6.038 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033354680 553930903 /nfs/dbraw/zinc/93/09/03/553930903.db2.gz QHALWPNBLRJJLP-OSPAZUARSA-N 0 0 632.713 7.022 50 30 KKEARN CCCCCCCCCCCCCCCCCCSCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000033354674 553930979 /nfs/dbraw/zinc/93/09/79/553930979.db2.gz OYJQHNQINBMDBQ-UHFFFAOYSA-N 0 0 504.246 8.613 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)c2C#N)cc1 ZINC000033354781 553931460 /nfs/dbraw/zinc/93/14/60/553931460.db2.gz GCEPYVFZMPNIMM-UHFFFAOYSA-N 0 0 592.145 8.871 50 30 KKEARN CCCCCCCCCCCCOC=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000033354948 553932147 /nfs/dbraw/zinc/93/21/47/553932147.db2.gz YSMDRNOEKVGDRX-UHFFFAOYSA-N 0 0 542.545 7.627 50 30 KKEARN C[C@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000033355063 553932859 /nfs/dbraw/zinc/93/28/59/553932859.db2.gz IZKIPUUIRXLGQR-AJCPBJRWSA-N 0 0 610.109 8.671 50 30 KKEARN C[C@@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000033355062 553932924 /nfs/dbraw/zinc/93/29/24/553932924.db2.gz IZKIPUUIRXLGQR-XPNCQOHCSA-N 0 0 610.109 8.671 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000033355161 553933445 /nfs/dbraw/zinc/93/34/45/553933445.db2.gz PMUDFSVPVBNISF-PIKZIKFNSA-N 0 0 532.562 6.714 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000097968587 553933505 /nfs/dbraw/zinc/93/35/05/553933505.db2.gz GDVOFFLZJXVMDB-YYPLBKOFSA-N 0 0 580.062 5.464 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097968583 553933522 /nfs/dbraw/zinc/93/35/22/553933522.db2.gz YAOIVWJIAAPFMC-JVEWKGNHSA-N 0 0 556.471 6.331 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968603 553933799 /nfs/dbraw/zinc/93/37/99/553933799.db2.gz AKZUMSKYTZNHCH-VSKVJQNBSA-N 0 0 584.141 7.879 50 30 KKEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000097968594 553933813 /nfs/dbraw/zinc/93/38/13/553933813.db2.gz FKLWLUJSDHWHHG-NGNZEAJZSA-N 0 0 550.870 6.989 50 30 KKEARN COc1c(I)cc(I)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000033355300 553933922 /nfs/dbraw/zinc/93/39/22/553933922.db2.gz OMSKPHWZURFKFJ-UJOWUYHQSA-N 0 0 618.028 5.926 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000033355310 553934217 /nfs/dbraw/zinc/93/42/17/553934217.db2.gz LJGIWNSHUBPDFV-UHFFFAOYSA-N 0 0 605.945 7.636 50 30 KKEARN Cn1ccnc1Sc1ccc(/C=N/c2ccc3nc(SCC(=O)NC4CCCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000033355309 553934233 /nfs/dbraw/zinc/93/42/33/553934233.db2.gz FKUUALRUFNRKIU-RWPZCVJISA-N 0 0 566.734 6.381 50 30 KKEARN Cc1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n2-c2ccccc2)cc1C ZINC000097968750 553934286 /nfs/dbraw/zinc/93/42/86/553934286.db2.gz LOJKHGYTVCTFFO-VVDWQQFKSA-N 0 0 520.441 5.614 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1O ZINC000033355502 553934978 /nfs/dbraw/zinc/93/49/78/553934978.db2.gz GXHRZGPZEQZYCF-FRNBCAGESA-N 0 0 566.315 6.863 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCNc3ccc([N+](=O)[O-])cn3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033355557 553935561 /nfs/dbraw/zinc/93/55/61/553935561.db2.gz VTKZESAJMKIDCA-OOXGOBSMSA-N 0 0 583.070 5.504 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097969012 553935767 /nfs/dbraw/zinc/93/57/67/553935767.db2.gz PIQGRIXFJUYODH-WOPWWUTRSA-N 0 0 589.688 6.809 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000097969065 553936247 /nfs/dbraw/zinc/93/62/47/553936247.db2.gz MTDTZERRYKIWAN-SSEXGKCCSA-N 0 0 600.613 9.648 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969096 553936669 /nfs/dbraw/zinc/93/66/69/553936669.db2.gz YOPXNCLAIFERHT-HSZRJFAPSA-N 0 0 548.661 6.026 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097969112 553936678 /nfs/dbraw/zinc/93/66/78/553936678.db2.gz STNWURUBNKAIDM-SSEXGKCCSA-N 0 0 550.611 5.852 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097969150 553936947 /nfs/dbraw/zinc/93/69/47/553936947.db2.gz JWGUPNCLQCIZSQ-MUUNZHRXSA-N 0 0 594.689 6.773 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969184 553937836 /nfs/dbraw/zinc/93/78/36/553937836.db2.gz SOYJOHFNSKEMJZ-CBZJRKILSA-N 0 0 556.640 6.200 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000097969212 553937877 /nfs/dbraw/zinc/93/78/77/553937877.db2.gz KVPSRJLHQPBXLF-SSEXGKCCSA-N 0 0 582.623 9.509 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000097969202 553937954 /nfs/dbraw/zinc/93/79/54/553937954.db2.gz WTGCFNDSZOAHIQ-MGBGTMOVSA-N 0 0 577.806 9.072 50 30 KKEARN CCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=O)cc1OC ZINC000097969239 553938249 /nfs/dbraw/zinc/93/82/49/553938249.db2.gz OFJCFQNOZMXIBR-HHNQXFPGSA-N 0 0 566.466 5.404 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097969215 553938256 /nfs/dbraw/zinc/93/82/56/553938256.db2.gz GBEGMMCZPIBUON-PMERELPUSA-N 0 0 550.611 5.852 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969319 553939593 /nfs/dbraw/zinc/93/95/93/553939593.db2.gz YUAOKSKFRFCXMM-LBEKAKSKSA-N 0 0 600.693 6.599 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969369 553940232 /nfs/dbraw/zinc/94/02/32/553940232.db2.gz VABLZELVRQNSCG-HMILPKGGSA-N 0 0 552.652 6.584 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969382 553940361 /nfs/dbraw/zinc/94/03/61/553940361.db2.gz ADUIMXAYCUMVKC-SSEXGKCCSA-N 0 0 614.720 7.045 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097969443 553941211 /nfs/dbraw/zinc/94/12/11/553941211.db2.gz KMHRSFJYRZWPMB-GDLZYMKVSA-N 0 0 542.632 5.097 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969520 553941971 /nfs/dbraw/zinc/94/19/71/553941971.db2.gz UWPKKUBQFYZDIS-GJBXTBEHSA-N 0 0 612.723 5.288 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969582 553942585 /nfs/dbraw/zinc/94/25/85/553942585.db2.gz VNRUWBAMHCCOSQ-KCEHZKJRSA-N 0 0 626.775 7.987 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969636 553943337 /nfs/dbraw/zinc/94/33/37/553943337.db2.gz ACJNYJQJTNARRZ-HWRSSNJWSA-N 0 0 563.031 6.073 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097969633 553943522 /nfs/dbraw/zinc/94/35/22/553943522.db2.gz WXXOOPIWBHINHL-MHZLTWQESA-N 0 0 556.640 6.373 50 30 KKEARN CCOC(=O)c1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cc(Br)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1 ZINC000033356707 553943588 /nfs/dbraw/zinc/94/35/88/553943588.db2.gz QTLLWAXWYJGRMV-UHFFFAOYSA-N 0 0 606.557 7.525 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969710 553943686 /nfs/dbraw/zinc/94/36/86/553943686.db2.gz ANPATNMQLKMQGC-KTBRYMIGSA-N 0 0 618.711 7.299 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969670 553943714 /nfs/dbraw/zinc/94/37/14/553943714.db2.gz RDABOWVQNHDTEO-CRICUBBOSA-N 0 0 576.671 5.913 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969708 553943818 /nfs/dbraw/zinc/94/38/18/553943818.db2.gz ANPATNMQLKMQGC-MNAQKMTRSA-N 0 0 618.711 7.299 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969744 553944183 /nfs/dbraw/zinc/94/41/83/553944183.db2.gz IMAQYRVABKJIHF-HZAQMHFWSA-N 0 0 609.103 7.635 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969769 553944471 /nfs/dbraw/zinc/94/44/71/553944471.db2.gz YCAFPLUGKBCWRC-PMERELPUSA-N 0 0 606.656 6.438 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969754 553944758 /nfs/dbraw/zinc/94/47/58/553944758.db2.gz ZRFJLQRLQWVIBJ-ROTAYESASA-N 0 0 588.685 7.290 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969793 553944873 /nfs/dbraw/zinc/94/48/73/553944873.db2.gz GBKLGWICEKKVEJ-PMERELPUSA-N 0 0 630.719 6.827 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969786 553944990 /nfs/dbraw/zinc/94/49/90/553944990.db2.gz QBRQTJXJXWANIU-GRMGDBHTSA-N 0 0 646.765 7.997 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969850 553945922 /nfs/dbraw/zinc/94/59/22/553945922.db2.gz PZDCVIWSIFGELU-WWOZWPLTSA-N 0 0 614.720 6.989 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969932 553947368 /nfs/dbraw/zinc/94/73/68/553947368.db2.gz ZAXUHVPMBSINAN-MRDQGFSESA-N 0 0 554.624 5.806 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970019 553948214 /nfs/dbraw/zinc/94/82/14/553948214.db2.gz LIORHOOMLOGPNK-XDBZFTIUSA-N 0 0 589.113 7.625 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097969999 553948237 /nfs/dbraw/zinc/94/82/37/553948237.db2.gz PBSJQHLTLPOXDS-GHRAFVERSA-N 0 0 602.712 7.598 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970005 553948256 /nfs/dbraw/zinc/94/82/56/553948256.db2.gz KQJRBKGRWIEQPM-VOIUYBSRSA-N 0 0 560.628 5.299 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970045 553948504 /nfs/dbraw/zinc/94/85/04/553948504.db2.gz IJEYLKQMARZSCU-SLQAJWMNSA-N 0 0 584.694 6.899 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(-c3ncc(-c4ccccc4)o3)cc1)N1N=C(SCc3ccccc3)NC1=N2 ZINC000033357617 553949799 /nfs/dbraw/zinc/94/97/99/553949799.db2.gz RVKXXWWVCKIGPP-NDEPHWFRSA-N 0 0 531.641 6.536 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970186 553950898 /nfs/dbraw/zinc/95/08/98/553950898.db2.gz SYQFAILTFXIMJH-SONOPUAISA-N 0 0 584.694 6.980 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000097970274 553952058 /nfs/dbraw/zinc/95/20/58/553952058.db2.gz YCRSWDMKMSGRSA-YTTGMZPUSA-N 0 0 608.776 8.672 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970316 553952565 /nfs/dbraw/zinc/95/25/65/553952565.db2.gz PIXNNCFZLJJBGW-XFSFLGPDSA-N 0 0 618.711 7.380 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970336 553952895 /nfs/dbraw/zinc/95/28/95/553952895.db2.gz QZVFJGIRBUQFFQ-XDBZFTIUSA-N 0 0 554.668 6.925 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970410 553953777 /nfs/dbraw/zinc/95/37/77/553953777.db2.gz HAJDEQSOOLOFLJ-HHHXNRCGSA-N 0 0 588.638 5.656 50 30 KKEARN Cc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000033358229 553953920 /nfs/dbraw/zinc/95/39/20/553953920.db2.gz GYCJXDYPJPSUOW-LPYMAVHISA-N 0 0 527.431 6.207 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000033358272 553954281 /nfs/dbraw/zinc/95/42/81/553954281.db2.gz WDPILYSGVHPNHE-DNOBIOAJSA-N 0 0 620.993 6.778 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970472 553954442 /nfs/dbraw/zinc/95/44/42/553954442.db2.gz IBOQZXDXKMPDEA-DNOBIOAJSA-N 0 0 618.180 7.714 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970468 553954470 /nfs/dbraw/zinc/95/44/70/553954470.db2.gz NKQAKJWBUKCAST-JYRCXFKTSA-N 0 0 603.096 7.020 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000033358304 553954572 /nfs/dbraw/zinc/95/45/72/553954572.db2.gz PHMFJMUZBXXCIB-XDBZFTIUSA-N 0 0 565.022 6.214 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000033358341 553954856 /nfs/dbraw/zinc/95/48/56/553954856.db2.gz FSFOZHGKOSFJAS-BQPAJTCCSA-N 0 0 547.986 6.528 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970508 553954884 /nfs/dbraw/zinc/95/48/84/553954884.db2.gz IDCTYBZKGWSICG-YHAMSUFESA-N 0 0 561.059 6.845 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970495 553955000 /nfs/dbraw/zinc/95/50/00/553955000.db2.gz LAEUMNBBMDOXOM-JYRCXFKTSA-N 0 0 586.666 6.209 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970494 553955024 /nfs/dbraw/zinc/95/50/24/553955024.db2.gz LAEUMNBBMDOXOM-HPGBDJQBSA-N 0 0 586.666 6.209 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000033358373 553955050 /nfs/dbraw/zinc/95/50/50/553955050.db2.gz JGPIOYZQRYJONS-AYWVHJORSA-N 0 0 538.600 5.751 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000097970498 553955094 /nfs/dbraw/zinc/95/50/94/553955094.db2.gz RBUBOAWEJXBRFC-HKBQPEDESA-N 0 0 551.743 8.894 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970538 553955629 /nfs/dbraw/zinc/95/56/29/553955629.db2.gz LVHQGMSWFNPGNZ-JWIGPWBQSA-N 0 0 572.639 5.819 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000033358448 553955780 /nfs/dbraw/zinc/95/57/80/553955780.db2.gz KHTSBBCEXSDIDZ-YUYWZBKDSA-N 0 0 554.687 7.193 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000033358442 553955787 /nfs/dbraw/zinc/95/57/87/553955787.db2.gz IPXIYQHZJULSQO-GPNASLBKSA-N 0 0 568.595 7.729 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970593 553956321 /nfs/dbraw/zinc/95/63/21/553956321.db2.gz LKRAGZFDSDNDEA-BGOLNKOXSA-N 0 0 612.748 7.597 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3ccc(Br)cc3)C[C@H]4C(F)(F)F)sc2C1 ZINC000033358587 553956846 /nfs/dbraw/zinc/95/68/46/553956846.db2.gz ZDLQNFCZVZXXHR-WNYOCNMUSA-N 0 0 640.957 8.296 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970688 553957593 /nfs/dbraw/zinc/95/75/93/553957593.db2.gz GHPPAQVVACKCTE-WKRVVKTRSA-N 0 0 579.653 5.463 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097970781 553958624 /nfs/dbraw/zinc/95/86/24/553958624.db2.gz JAENGFYSVJIPAU-NFQMXDRXSA-N 0 0 515.610 5.054 50 30 KKEARN CCOc1ccc(C(=O)/C=C\C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000033400670 553958742 /nfs/dbraw/zinc/95/87/42/553958742.db2.gz LNPTUCNDPZXBBA-KWQWIOHRSA-N 0 0 518.609 7.477 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970977 553959844 /nfs/dbraw/zinc/95/98/44/553959844.db2.gz NTSJVBIVAZSVGP-SLGOVJDISA-N 0 0 592.733 5.134 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097970954 553959880 /nfs/dbraw/zinc/95/98/80/553959880.db2.gz DXYCMAVYPSEBEB-SSEXGKCCSA-N 0 0 540.660 5.183 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097971011 553960229 /nfs/dbraw/zinc/96/02/29/553960229.db2.gz QSVVUXYLIFCXQN-WYOOIXGGSA-N 0 0 575.661 6.766 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097971024 553960596 /nfs/dbraw/zinc/96/05/96/553960596.db2.gz QCJYYMFPYGRORH-KCEHZKJRSA-N 0 0 576.649 6.161 50 30 KKEARN CCCCOc1c(Cl)cc(/C=C2/CC/C(=C/c3cc(Cl)c(OCCCC)c(OC)c3)C2=O)cc1OC ZINC000033623162 553964746 /nfs/dbraw/zinc/96/47/46/553964746.db2.gz PQPPIKGFODPRDE-JZTLMNBPSA-N 0 0 533.492 8.198 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C=C(C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000033652625 553966207 /nfs/dbraw/zinc/96/62/07/553966207.db2.gz FLWODWGEPBYYQW-WJQQQHEKSA-N 0 0 505.596 5.057 50 30 KKEARN CCCCCCCCCCCCC(=O)Oc1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000097976930 553973452 /nfs/dbraw/zinc/97/34/52/553973452.db2.gz JFTSVXMTQGGISK-UHFFFAOYSA-N 0 0 736.503 11.764 50 30 KKEARN Cc1cccc(OS(=O)(=O)c2ccc3c(c2)C(=NNc2ccccc2)c2cc(S(=O)(=O)Oc4cccc(C)c4)ccc2-3)c1 ZINC000097976964 553973689 /nfs/dbraw/zinc/97/36/89/553973689.db2.gz JIVOGUYCPCOHBK-UHFFFAOYSA-N 0 0 610.713 6.684 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097977047 553973700 /nfs/dbraw/zinc/97/37/00/553973700.db2.gz CFUIZLRYCPAVQM-KRWDZBQOSA-N 0 0 531.775 6.689 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097977055 553973704 /nfs/dbraw/zinc/97/37/04/553973704.db2.gz DSYWHCLIYRWHTK-KRWDZBQOSA-N 0 0 578.775 6.531 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)c4ccc5c(c4)C(=O)N(CCC(C)C)C5=O)sc3C(C)(C)C2)cc1 ZINC000097979019 553975818 /nfs/dbraw/zinc/97/58/18/553975818.db2.gz MAAGPGPORAQGLO-BQYQJAHWSA-N 0 0 651.785 7.234 50 30 KKEARN CCC[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000033923485 553976842 /nfs/dbraw/zinc/97/68/42/553976842.db2.gz WTMUXVDKPPSSBO-BCJVNPBRSA-N 0 0 510.457 6.245 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000033930618 553977035 /nfs/dbraw/zinc/97/70/35/553977035.db2.gz CXNQCSKAVCVGDQ-QAZDYGKNSA-N 0 0 510.030 6.061 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000033930702 553977378 /nfs/dbraw/zinc/97/73/78/553977378.db2.gz XDGRXALBRZJGSD-WTVARKITSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccccc3NC=CC(=O)C(F)(F)F)c2C)cc1 ZINC000097979325 553978062 /nfs/dbraw/zinc/97/80/62/553978062.db2.gz TUCNVTHVYDJXMX-WYMLVPIESA-N 0 0 528.527 5.453 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(OC)c(OCc3ccccc3F)cc2Br)c1C#N ZINC000033958265 553980097 /nfs/dbraw/zinc/98/00/97/553980097.db2.gz HIAZKLJDRBHMOP-KVSWJAHQSA-N 0 0 513.367 5.343 50 30 KKEARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979537 553980337 /nfs/dbraw/zinc/98/03/37/553980337.db2.gz AKWDDGJLPASQQZ-UHFFFAOYSA-N 0 0 682.030 7.015 50 30 KKEARN CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097979776 553982289 /nfs/dbraw/zinc/98/22/89/553982289.db2.gz KGBSUZGLPYSMIU-LKUDQCMESA-N 0 0 635.717 6.640 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000034702165 553993138 /nfs/dbraw/zinc/99/31/38/553993138.db2.gz HZHNMDFCHZOIJT-AREMUKBSSA-N 0 0 523.511 7.628 50 30 KKEARN O=C(/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1)c1ccccc1 ZINC000097981397 553993577 /nfs/dbraw/zinc/99/35/77/553993577.db2.gz GHIRYZYIVHGSHC-XHPQRKPJSA-N 0 0 541.632 7.344 50 30 KKEARN CN1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000097982317 554001221 /nfs/dbraw/zinc/00/12/21/554001221.db2.gz MWSCHFMASNFNOV-BDZLSRGKSA-N 0 0 573.700 7.374 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000034782415 554004084 /nfs/dbraw/zinc/00/40/84/554004084.db2.gz HGMGCKIVKNXZGE-CXABMRDKSA-N 0 0 513.666 5.768 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(CCCCCC)cc1)C(Cl)(Cl)Cl ZINC000097983050 554007171 /nfs/dbraw/zinc/00/71/71/554007171.db2.gz AAOXIYNWNAOXHF-HKBQPEDESA-N 0 0 649.257 11.170 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097983047 554007222 /nfs/dbraw/zinc/00/72/22/554007222.db2.gz NZJQOMXBHZMMSL-GDLZYMKVSA-N 0 0 615.155 10.200 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000097983034 554007262 /nfs/dbraw/zinc/00/72/62/554007262.db2.gz ALWCCAYSLGXJSI-VWLOTQADSA-N 0 0 599.540 9.700 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CNc1cccc(OC)c1 ZINC000097983071 554007454 /nfs/dbraw/zinc/00/74/54/554007454.db2.gz UHCCTCLJAOASIR-UHFFFAOYSA-N 0 0 509.775 9.630 50 30 KKEARN O=C1/C(=C\c2c(Cl)cccc2Cl)CN(Cc2ccccc2)C/C1=C/c1c(Cl)cccc1Cl ZINC000034806446 554009171 /nfs/dbraw/zinc/00/91/71/554009171.db2.gz OZVYOTZHBNPPOB-BKHHGCLFSA-N 0 0 503.256 7.852 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCCCCCCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000097983752 554011752 /nfs/dbraw/zinc/01/17/52/554011752.db2.gz KFHRLXXFVIQLLV-PMACEKPBSA-N 0 0 550.794 7.501 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C ZINC000097984282 554015439 /nfs/dbraw/zinc/01/54/39/554015439.db2.gz ZYLLIPAJUDJFDV-KDXMTYKHSA-N 0 0 616.457 6.078 50 30 KKEARN CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC000097984869 554018781 /nfs/dbraw/zinc/01/87/81/554018781.db2.gz MYWHPRILKHMFCW-XMMPIXPASA-N 0 0 543.627 6.952 50 30 KKEARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000097995361 554034031 /nfs/dbraw/zinc/03/40/31/554034031.db2.gz FAZXJVFOKYKQJM-KRWDZBQOSA-N 0 0 540.472 5.603 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000097995375 554034513 /nfs/dbraw/zinc/03/45/13/554034513.db2.gz SOKSWAGKEBIVSF-MUUNZHRXSA-N 0 0 545.676 5.984 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(NCc4ccccc4)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000097996953 554038863 /nfs/dbraw/zinc/03/88/63/554038863.db2.gz SDIZFROXJBKVRC-UHFFFAOYSA-N 0 0 620.793 9.896 50 30 KKEARN CCCCCCCOc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(CCCCCCC)cc3)s2)cc1 ZINC000097997017 554039292 /nfs/dbraw/zinc/03/92/92/554039292.db2.gz UGGNBDYWAGHKSD-PTGBLXJZSA-N 0 0 519.755 8.719 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O ZINC000097997767 554040152 /nfs/dbraw/zinc/04/01/52/554040152.db2.gz ZPAFCRWWFNUYCY-JQAMDZJQSA-N 0 0 662.503 7.743 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097999552 554044063 /nfs/dbraw/zinc/04/40/63/554044063.db2.gz NHMNUJPQHOBVOI-AZGAKELHSA-N 0 0 570.281 7.027 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000097999599 554044348 /nfs/dbraw/zinc/04/43/48/554044348.db2.gz IYZXXIQVENCVLB-CQTOTRCISA-N 0 0 589.574 8.996 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000097999726 554045272 /nfs/dbraw/zinc/04/52/72/554045272.db2.gz VFAOANYDHBAZJF-HEIROHQZSA-N 0 0 632.385 9.279 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999880 554046515 /nfs/dbraw/zinc/04/65/15/554046515.db2.gz CAJNJSGKHRQOQR-YLZGDECLSA-N 0 0 683.676 10.452 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999881 554046743 /nfs/dbraw/zinc/04/67/43/554046743.db2.gz CAJNJSGKHRQOQR-VFHLRKMQSA-N 0 0 683.676 10.452 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097999964 554047511 /nfs/dbraw/zinc/04/75/11/554047511.db2.gz CXRGNZRJGVFBFL-GRMGDBHTSA-N 0 0 625.121 7.589 50 30 KKEARN COc1cc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc(OC)c1OC ZINC000035406247 554049326 /nfs/dbraw/zinc/04/93/26/554049326.db2.gz UZIIOVNIFSVFIA-PVTPYKNESA-N 0 0 505.574 5.431 50 30 KKEARN CNc1nc(N=NCc2cc(I)cc(I)c2O)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000098000403 554050866 /nfs/dbraw/zinc/05/08/66/554050866.db2.gz NPLIYKFXMOXMTD-ZNLRHDTNSA-N 0 0 655.160 5.037 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@@H]21 ZINC000098001150 554051630 /nfs/dbraw/zinc/05/16/30/554051630.db2.gz DTZLMLORPZAYTR-UQCRZPQQSA-N 0 0 528.483 7.306 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cccc(Br)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000098001230 554051978 /nfs/dbraw/zinc/05/19/78/554051978.db2.gz IOMGAKDOIYJTMY-AFUMVMLFSA-N 0 0 535.362 5.484 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CCCCCCCCC)cc2)cc1 ZINC000098001392 554052512 /nfs/dbraw/zinc/05/25/12/554052512.db2.gz FSWOVSYHKHPZGS-UHFFFAOYSA-N 0 0 563.827 9.279 50 30 biogenic KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NC[C@H]4CCCO4)sc3c2)cc1 ZINC000098002679 554053892 /nfs/dbraw/zinc/05/38/92/554053892.db2.gz QKTLYZBQSOWUIA-AREMUKBSSA-N 0 0 583.820 7.455 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000098003638 554055472 /nfs/dbraw/zinc/05/54/72/554055472.db2.gz HFWGGMFQMKEJNU-FEERPNRMSA-N 0 0 604.703 7.244 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000098003639 554055488 /nfs/dbraw/zinc/05/54/88/554055488.db2.gz HFWGGMFQMKEJNU-LHAPQZOASA-N 0 0 604.703 7.244 50 30 KKEARN CCCCCC(=O)Oc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)c1 ZINC000098003665 554055653 /nfs/dbraw/zinc/05/56/53/554055653.db2.gz ZHVBDCYYEBXFPA-WZPDBAAASA-N 0 0 613.198 9.307 50 30 KKEARN CCCCCC(=O)Oc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)c1 ZINC000098003664 554055706 /nfs/dbraw/zinc/05/57/06/554055706.db2.gz ZHVBDCYYEBXFPA-ZSQPVGNWSA-N 0 0 613.198 9.307 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000098003694 554055951 /nfs/dbraw/zinc/05/59/51/554055951.db2.gz NEQHEVFVTKQCLB-OGPYBGEISA-N 0 0 640.689 6.546 50 30 KKEARN CCCCCCCCCCCCCCCCN1c2ccccc2Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2C1=O ZINC000098005182 554057456 /nfs/dbraw/zinc/05/74/56/554057456.db2.gz OXOOVTKYMPPCCV-UHFFFAOYSA-N 0 0 572.746 10.621 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000098005255 554058029 /nfs/dbraw/zinc/05/80/29/554058029.db2.gz NISYVLCKNTUMJD-HKBQPEDESA-N 0 0 582.494 8.140 50 30 KKEARN Cc1cc(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c(C)cc1Br ZINC000035540601 554059035 /nfs/dbraw/zinc/05/90/35/554059035.db2.gz CHHYTVHVLIAMMC-UHFFFAOYSA-N 0 0 524.506 5.048 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]1c1ccccc1)CCCC2 ZINC000098006100 554060469 /nfs/dbraw/zinc/06/04/69/554060469.db2.gz MWALTHAZAACJAP-RBISFHTESA-N 0 0 552.696 6.414 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2 ZINC000098006057 554060475 /nfs/dbraw/zinc/06/04/75/554060475.db2.gz OXHCVJIZDMHOAK-FQEVSTJZSA-N 0 0 557.663 7.321 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccccc1F)CCCC2 ZINC000098006360 554061789 /nfs/dbraw/zinc/06/17/89/554061789.db2.gz FGTAMOYXIIVQTI-XMMPIXPASA-N 0 0 536.669 6.185 50 30 KKEARN CCn1c(SC2=C(Sc3nnc(-c4ccc(C)cc4)n3CC)C(=O)c3ccccc3C2=O)nnc1-c1ccc(C)cc1 ZINC000098007133 554063286 /nfs/dbraw/zinc/06/32/86/554063286.db2.gz RCDKWUZFHOECJK-UHFFFAOYSA-N 0 0 592.750 7.035 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007821 554064502 /nfs/dbraw/zinc/06/45/02/554064502.db2.gz PSWBFDRDTQPVAK-DGUDUIIESA-N 0 0 552.555 5.645 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008038 554065640 /nfs/dbraw/zinc/06/56/40/554065640.db2.gz YTTIWACZDOHBJN-WOVHNISZSA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000098008132 554066276 /nfs/dbraw/zinc/06/62/76/554066276.db2.gz VQAYHCKYFDZTCL-ANSQWYIGSA-N 0 0 554.495 7.074 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008110 554066374 /nfs/dbraw/zinc/06/63/74/554066374.db2.gz KBVIOFPXHFHKMA-BCDQWZCSSA-N 0 0 564.059 6.149 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008108 554066378 /nfs/dbraw/zinc/06/63/78/554066378.db2.gz KBVIOFPXHFHKMA-JVAKCPTJSA-N 0 0 564.059 6.149 50 30 KKEARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)C(=O)CC(C)(C)C2 ZINC000098009722 554070420 /nfs/dbraw/zinc/07/04/20/554070420.db2.gz YCNBMQUOHTYIRW-UHFFFAOYSA-N 0 0 613.736 7.550 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1cccc(Br)c1 ZINC000035808207 554076882 /nfs/dbraw/zinc/07/68/82/554076882.db2.gz KPOCWFJVQBUNPW-UHFFFAOYSA-N 0 0 515.448 5.815 50 30 KKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccc(C(F)(F)F)cc3)cc2-c2cccc(OC)c2)cc1 ZINC000035843406 554082001 /nfs/dbraw/zinc/08/20/01/554082001.db2.gz BKDVBNLRFCXJBX-APTWKGOFSA-N 0 0 508.540 7.430 50 30 KKEARN C[C@@H]1CN(C(=O)c2cc3ccsc3n2Cc2cccc(F)c2)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000035844475 554082863 /nfs/dbraw/zinc/08/28/63/554082863.db2.gz KTVOZMRXWACYTJ-GOSISDBHSA-N 0 0 501.587 5.140 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] ZINC000035913047 554096824 /nfs/dbraw/zinc/09/68/24/554096824.db2.gz JQWOXANMODTRAS-CLHVYKLBSA-N 0 0 520.557 5.126 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(c3ccccc3OC)CC1)n2Cc1c(F)cccc1F ZINC000035927855 554101430 /nfs/dbraw/zinc/10/14/30/554101430.db2.gz BFXDJQFJGNWJMK-UHFFFAOYSA-N 0 0 517.576 5.504 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@H](C)c1ccccc1 ZINC000098016761 554103424 /nfs/dbraw/zinc/10/34/24/554103424.db2.gz ARIPOXOUCIPRHQ-OAQYLSRUSA-N 0 0 536.698 6.603 50 30 KKEARN CCCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)CCc1ccc(OC)c(OC)c1 ZINC000098016784 554103781 /nfs/dbraw/zinc/10/37/81/554103781.db2.gz SKHFAWZAEPKGBV-UHFFFAOYSA-N 0 0 601.213 7.416 50 30 KKEARN CCCCCCCCCC(=O)N(CCCC)CCC(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000098016843 554104262 /nfs/dbraw/zinc/10/42/62/554104262.db2.gz BCNBQQICWCIBGB-UHFFFAOYSA-N 0 0 526.669 7.322 50 30 KKEARN CCCCCCCCC(=O)N(CCCCC)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000098016956 554105079 /nfs/dbraw/zinc/10/50/79/554105079.db2.gz KOXFFPXHSGZNRB-UHFFFAOYSA-N 0 0 520.693 7.386 50 30 KKEARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)C ZINC000098017086 554106091 /nfs/dbraw/zinc/10/60/91/554106091.db2.gz KWWQKFAIZZGHEE-UHFFFAOYSA-N 0 0 574.562 7.313 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000098017130 554106335 /nfs/dbraw/zinc/10/63/35/554106335.db2.gz LBKZGSYQLKCOKU-SSEXGKCCSA-N 0 0 564.817 6.694 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000035973781 554114842 /nfs/dbraw/zinc/11/48/42/554114842.db2.gz WTRIZCBHQDHDGU-OKKIPLHTSA-N 0 0 505.611 5.503 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000035973780 554114883 /nfs/dbraw/zinc/11/48/83/554114883.db2.gz WTRIZCBHQDHDGU-TUQAPMAVSA-N 0 0 505.611 5.503 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000035973757 554114906 /nfs/dbraw/zinc/11/49/06/554114906.db2.gz MHANWIIDIMKKSF-DHBJDBKLSA-N 0 0 503.595 5.324 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000035973779 554114925 /nfs/dbraw/zinc/11/49/25/554114925.db2.gz WTRIZCBHQDHDGU-JISLCMDKSA-N 0 0 505.611 5.503 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1cccc(Br)c1 ZINC000098019904 554115355 /nfs/dbraw/zinc/11/53/55/554115355.db2.gz HCQQFMNVHKIELZ-UHFFFAOYSA-N 0 0 574.475 6.113 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)CCCCCCCCC ZINC000098019972 554115914 /nfs/dbraw/zinc/11/59/14/554115914.db2.gz CFNIWSDWROVMIY-UHFFFAOYSA-N 0 0 595.136 6.859 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(Br)c1 ZINC000098036835 554121058 /nfs/dbraw/zinc/12/10/58/554121058.db2.gz FLVJHDQZBJPNDJ-AOMKIAJQSA-N 0 0 518.436 5.948 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(N(C)C(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000098042927 554123235 /nfs/dbraw/zinc/12/32/35/554123235.db2.gz CAGGYOZRKVWOBV-FQEVSTJZSA-N 0 0 590.439 5.085 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O ZINC000098045159 554130935 /nfs/dbraw/zinc/13/09/35/554130935.db2.gz DAHNGKXLYJMOSA-ZUKKLESISA-N 0 0 613.695 5.688 50 30 KKEARN C=CCOc1c(I)cc([C@@H]2NC(=O)N=C3c4ccccc4CCC32)cc1I ZINC000098045185 554131280 /nfs/dbraw/zinc/13/12/80/554131280.db2.gz DJQLTTZNGFSUJM-SFHVURJKSA-N 0 0 584.195 5.172 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000098045759 554133791 /nfs/dbraw/zinc/13/37/91/554133791.db2.gz SRZCALKBJAUAFX-JGCGQSQUSA-N 0 0 563.650 6.981 50 30 KKEARN COc1ccc(OCc2ccc([C@@H]3C(C(=O)Nc4ccc(Br)cn4)=C(C)NC4=C3C(=O)CCC4)o2)cc1 ZINC000098045893 554134343 /nfs/dbraw/zinc/13/43/43/554134343.db2.gz MWWCISIVUHCRNW-HHHXNRCGSA-N 0 0 564.436 5.631 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000098046321 554137989 /nfs/dbraw/zinc/13/79/89/554137989.db2.gz DUCIHIXAEGZUFJ-XMMPIXPASA-N 0 0 544.629 5.759 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046576 554141160 /nfs/dbraw/zinc/14/11/60/554141160.db2.gz ZRZCCCZISWHQBN-WRONEBCDSA-N 0 0 542.632 5.761 50 30 KKEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098046581 554141270 /nfs/dbraw/zinc/14/12/70/554141270.db2.gz BMVHCKBMTSUURO-GDLZYMKVSA-N 0 0 534.568 5.210 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046610 554141679 /nfs/dbraw/zinc/14/16/79/554141679.db2.gz PSQARSYRQYYXFZ-RUZDIDTESA-N 0 0 561.059 6.801 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000098046648 554141982 /nfs/dbraw/zinc/14/19/82/554141982.db2.gz CSUKIOLLDSWEIZ-HSZRJFAPSA-N 0 0 530.602 5.829 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046754 554143146 /nfs/dbraw/zinc/14/31/46/554143146.db2.gz XVTUOWPUDQLWBI-DEOSSOPVSA-N 0 0 533.452 5.083 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000098047047 554146047 /nfs/dbraw/zinc/14/60/47/554146047.db2.gz KDSYNJDXIAOOQO-HKBQPEDESA-N 0 0 568.670 5.653 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037372 554146420 /nfs/dbraw/zinc/14/64/20/554146420.db2.gz JAWBIOILPSGLPP-FOVJLYNBSA-N 0 0 507.652 5.551 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)cc1C ZINC000098047090 554146635 /nfs/dbraw/zinc/14/66/35/554146635.db2.gz NGSYHUSQDJALBU-UHFFFAOYSA-N 0 0 553.659 5.940 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccc(OC)cc1 ZINC000036040375 554148994 /nfs/dbraw/zinc/14/89/94/554148994.db2.gz QXLACZPJGLRBDP-UHFFFAOYSA-N 0 0 529.662 5.051 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047345 554149600 /nfs/dbraw/zinc/14/96/00/554149600.db2.gz DTPKKQCATXYQOT-NDEPHWFRSA-N 0 0 631.795 8.229 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCc1ccc(Cl)cc1Cl ZINC000098047446 554150973 /nfs/dbraw/zinc/15/09/73/554150973.db2.gz XMZITAZPQZKAMB-UHFFFAOYSA-N 0 0 563.403 8.956 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047569 554152568 /nfs/dbraw/zinc/15/25/68/554152568.db2.gz ZCHRYFOQIPNZQF-UHFFFAOYSA-N 0 0 598.046 8.001 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1ccc(Cl)cc1 ZINC000036048127 554153845 /nfs/dbraw/zinc/15/38/45/554153845.db2.gz BXJVAEAZUGRGTH-UHFFFAOYSA-N 0 0 513.041 6.583 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047986 554158380 /nfs/dbraw/zinc/15/83/80/554158380.db2.gz WJVDFKQPGOFNKY-IZHWHUGBSA-N 0 0 530.602 5.325 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048041 554158830 /nfs/dbraw/zinc/15/88/30/554158830.db2.gz MTZASBOPPMJIGY-AKJBCIBTSA-N 0 0 544.604 6.331 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048031 554158905 /nfs/dbraw/zinc/15/89/05/554158905.db2.gz LDIYODTUFLGRMW-HWRSSNJWSA-N 0 0 546.576 5.646 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)NC(C)(C)C ZINC000036058208 554160184 /nfs/dbraw/zinc/16/01/84/554160184.db2.gz ATICEFVYMPKKRA-UHFFFAOYSA-N 0 0 500.430 5.781 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)c1nc(N)c(C#N)c(N)c1[C@H]2c1cccc(Br)c1 ZINC000098048357 554161632 /nfs/dbraw/zinc/16/16/32/554161632.db2.gz NBOVQRYJFSMMOR-QHCPKHFHSA-N 0 0 599.558 6.619 50 30 KKEARN CC(=O)Nc1cc(NC(C)=O)cc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1 ZINC000098049053 554163006 /nfs/dbraw/zinc/16/30/06/554163006.db2.gz NPGWPCYQBUMSNZ-UHFFFAOYSA-N 0 0 638.274 7.464 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000098049098 554163298 /nfs/dbraw/zinc/16/32/98/554163298.db2.gz ABHIDSGQJMLXND-KMRXNPHXSA-N 0 0 548.630 7.428 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049871 554169791 /nfs/dbraw/zinc/16/97/91/554169791.db2.gz JBXPMLAMRLXQDA-FQLXRVMXSA-N 0 0 510.634 6.487 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000098050107 554171999 /nfs/dbraw/zinc/17/19/99/554171999.db2.gz CZJSBNMUAZCYFA-HHHXNRCGSA-N 0 0 569.614 5.593 50 30 KKEARN CCCCCCCCCCCCOc1ccccc1NC(=O)CN(C)C(=O)c1ccc2ccccc2c1O ZINC000098050364 554173891 /nfs/dbraw/zinc/17/38/91/554173891.db2.gz ZEWUKCGETBXGFS-UHFFFAOYSA-N 0 0 518.698 7.556 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(Br)cc32)cc1 ZINC000098050357 554173911 /nfs/dbraw/zinc/17/39/11/554173911.db2.gz QLXILZHRLHQXNG-UHFFFAOYSA-N 0 0 623.385 8.979 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000098050394 554174476 /nfs/dbraw/zinc/17/44/76/554174476.db2.gz GHQKALYPFGWGPK-BVZFJXPGSA-N 0 0 536.669 7.057 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccc(OC)cc1 ZINC000036116369 554181472 /nfs/dbraw/zinc/18/14/72/554181472.db2.gz FKNVQQZZIYTMOD-VWLOTQADSA-N 0 0 525.070 5.552 50 30 KKEARN Brc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc(Br)cc5)nc4c3)o2)cc1 ZINC000100028231 554183809 /nfs/dbraw/zinc/18/38/09/554183809.db2.gz RYKVTHCROSOMDX-MZJWZYIUSA-N 0 0 522.196 8.030 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1F ZINC000036117125 554184253 /nfs/dbraw/zinc/18/42/53/554184253.db2.gz MGFVKRREKPMPII-AREMUKBSSA-N 0 0 506.643 5.844 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3I)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000100032657 554186830 /nfs/dbraw/zinc/18/68/30/554186830.db2.gz HOIHKFFQZSJFFH-FDAWAROLSA-N 0 0 607.400 6.497 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)c1ccc(OC)cc1 ZINC000036119272 554187582 /nfs/dbraw/zinc/18/75/82/554187582.db2.gz ZVVIOQYOGPPTIO-VWLOTQADSA-N 0 0 504.652 5.207 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc(Br)c3)c3ccccc3C2c2ccccc21 ZINC000100039210 554191501 /nfs/dbraw/zinc/19/15/01/554191501.db2.gz ROCBZBJWHGJNNW-LYAITZIZSA-N 0 0 533.425 6.402 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc(Br)c3)c3ccccc3C2c2ccccc21 ZINC000100039206 554191564 /nfs/dbraw/zinc/19/15/64/554191564.db2.gz ROCBZBJWHGJNNW-FONMNZRHSA-N 0 0 533.425 6.402 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(/C=N/Cc4cccc5ccccc54)c4ccccc4C3c3ccccc32)cc1 ZINC000100039303 554191947 /nfs/dbraw/zinc/19/19/47/554191947.db2.gz GCZGRNHNZZPSJD-VFAVGRHPSA-N 0 0 562.669 7.060 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)Nc1ccc(C)cc1 ZINC000036122298 554193614 /nfs/dbraw/zinc/19/36/14/554193614.db2.gz UZOHCRUAAMQXGX-MHZLTWQESA-N 0 0 517.695 6.405 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Oc3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)cc1)OCO2 ZINC000100046165 554193783 /nfs/dbraw/zinc/19/37/83/554193783.db2.gz IJHYCBDBCVFFFC-HZUVFDMRSA-N 0 0 554.471 6.254 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000100055835 554196166 /nfs/dbraw/zinc/19/61/66/554196166.db2.gz OHYWZNMMKNHQJJ-BHGWPJFGSA-N 0 0 534.298 7.570 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(-c4ccc(Br)cc4)o3)cc2s1)N1CCOCC1 ZINC000100056008 554196526 /nfs/dbraw/zinc/19/65/26/554196526.db2.gz QTLZPMOLRVLSLJ-WGARJPEWSA-N 0 0 542.480 6.020 50 30 KKEARN CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c3)cc2s1 ZINC000100057131 554196726 /nfs/dbraw/zinc/19/67/26/554196726.db2.gz PLPFOTCRMXNMCB-FOKLQQMPSA-N 0 0 539.645 7.346 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(C)cc3C)c3ccccc32)cc1 ZINC000100060782 554198241 /nfs/dbraw/zinc/19/82/41/554198241.db2.gz FIYUVIPDEYPKFP-RJAFERDYSA-N 0 0 512.609 6.265 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]23)cc1 ZINC000100063769 554199263 /nfs/dbraw/zinc/19/92/63/554199263.db2.gz QEYZTSBBFRRISY-BYSHTDHBSA-N 0 0 512.609 6.211 50 30 KKEARN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000100067975 554200329 /nfs/dbraw/zinc/20/03/29/554200329.db2.gz IVVYACFJZQQRFJ-SRPQGXGKSA-N 0 0 526.661 8.223 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000100073194 554202913 /nfs/dbraw/zinc/20/29/13/554202913.db2.gz QDPXKOGOFHWHMF-BKGREXSKSA-N 0 0 541.072 7.732 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100076631 554204489 /nfs/dbraw/zinc/20/44/89/554204489.db2.gz CIZHBHLDOQFAAS-BVZFJXPGSA-N 0 0 540.454 5.868 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100077182 554204782 /nfs/dbraw/zinc/20/47/82/554204782.db2.gz IAYZBLMTKCUMHZ-IIMAJNMQSA-N 0 0 620.927 6.979 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100077310 554205096 /nfs/dbraw/zinc/20/50/96/554205096.db2.gz OSHRVAZBLVYRAC-UPCLLVRISA-N 0 0 560.872 6.130 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100079637 554206030 /nfs/dbraw/zinc/20/60/30/554206030.db2.gz YKANYHZMUSZSKF-XDBZFTIUSA-N 0 0 600.937 6.967 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100079662 554206078 /nfs/dbraw/zinc/20/60/78/554206078.db2.gz KGDBLLAEZBFXTN-DLLPINGYSA-N 0 0 547.139 7.424 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@H](SC(=NC(c3ccccc3)c3ccccc3)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100088852 554210011 /nfs/dbraw/zinc/21/00/11/554210011.db2.gz PIJQYZVZYVOCDN-MHZLTWQESA-N 0 0 584.097 6.559 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105642 554220554 /nfs/dbraw/zinc/22/05/54/554220554.db2.gz DNUOHZDKCPYLDL-MSSAIVSKSA-N 0 0 550.414 6.668 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C=Cc2ccccc2)c1 ZINC000100110460 554221091 /nfs/dbraw/zinc/22/10/91/554221091.db2.gz SGXRQIYAMQBRLL-DOULXHQFSA-N 0 0 561.081 7.963 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100110653 554221592 /nfs/dbraw/zinc/22/15/92/554221592.db2.gz SNALKDPOKNDVPR-MFZCXYBYSA-N 0 0 620.074 6.083 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1OCC ZINC000100111754 554221798 /nfs/dbraw/zinc/22/17/98/554221798.db2.gz DYTOONCHFLLMGN-WJEDRFGESA-N 0 0 579.694 5.512 50 30 KKEARN O=C(COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000100114076 554222500 /nfs/dbraw/zinc/22/25/00/554222500.db2.gz DBQXBGWTWOLBNY-IGVBWXEESA-N 0 0 589.595 7.411 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000100116882 554223794 /nfs/dbraw/zinc/22/37/94/554223794.db2.gz YKEDBCPGGOPGJS-TXBHVNISSA-N 0 0 590.048 6.075 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000036352189 554224026 /nfs/dbraw/zinc/22/40/26/554224026.db2.gz PLULSVUPLGHWDT-KCWPFWIISA-N 0 0 511.405 6.818 50 30 KKEARN N#Cc1c2c(sc1N1c3nc(N)c(C#N)c(N)c3[C@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCC2 ZINC000036559225 554225581 /nfs/dbraw/zinc/22/55/81/554225581.db2.gz XFCPYQLRUPPEJN-JOCHJYFZSA-N 0 0 510.598 5.359 50 30 KKEARN Cc1cc(I)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1O ZINC000100131829 554226089 /nfs/dbraw/zinc/22/60/89/554226089.db2.gz JRWRCKQKXICCLR-AFUMVMLFSA-N 0 0 537.365 5.423 50 30 KKEARN CCCCC(NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140298 554227610 /nfs/dbraw/zinc/22/76/10/554227610.db2.gz NGLVFUDSVPDOOM-UHFFFAOYSA-N 0 0 512.572 6.667 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100142002 554228209 /nfs/dbraw/zinc/22/82/09/554228209.db2.gz QQFWVDUPIOHYTC-WRONEBCDSA-N 0 0 529.423 7.801 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142498 554228858 /nfs/dbraw/zinc/22/88/58/554228858.db2.gz KPYGWHYADSOGDS-PGWWVJEZSA-N 0 0 537.613 5.055 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142493 554228874 /nfs/dbraw/zinc/22/88/74/554228874.db2.gz KPYGWHYADSOGDS-FZWCJVCJSA-N 0 0 537.613 5.055 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142465 554228878 /nfs/dbraw/zinc/22/88/78/554228878.db2.gz FGDUMBRRIWHEIL-XMWFGAJLSA-N 0 0 554.043 5.859 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142511 554228922 /nfs/dbraw/zinc/22/89/22/554228922.db2.gz UJGKVOLGPZQMGH-MEXAFARESA-N 0 0 566.079 6.076 50 30 KKEARN CC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)[C@H](C(=O)Nc2ccc(Br)cc2)C1=O ZINC000100142838 554229158 /nfs/dbraw/zinc/22/91/58/554229158.db2.gz IZCNFTLLMPNXBF-ACSPXDACSA-N 0 0 534.248 5.721 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144653 554230087 /nfs/dbraw/zinc/23/00/87/554230087.db2.gz RDNUOIKRXKDFDG-MEXAFARESA-N 0 0 566.079 5.728 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100144533 554230093 /nfs/dbraw/zinc/23/00/93/554230093.db2.gz QUVFIUMXNHKXFO-MEXAFARESA-N 0 0 566.079 5.728 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1CNC=C1C(=O)CC(c2ccco2)CC1=O ZINC000100146725 554230312 /nfs/dbraw/zinc/23/03/12/554230312.db2.gz PAORFWANBUVXDA-VCUSLETLSA-N 0 0 538.431 5.907 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100155838 554232799 /nfs/dbraw/zinc/23/27/99/554232799.db2.gz DUEFDAFIIDPJOJ-SKBVVQJISA-N 0 0 591.035 5.235 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100155834 554232830 /nfs/dbraw/zinc/23/28/30/554232830.db2.gz DUEFDAFIIDPJOJ-DMTNHVFBSA-N 0 0 591.035 5.235 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000100155842 554232907 /nfs/dbraw/zinc/23/29/07/554232907.db2.gz DIVFRPOIEQMGFV-UCGXPXSYSA-N 0 0 591.035 5.235 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000100157967 554233126 /nfs/dbraw/zinc/23/31/26/554233126.db2.gz SIRRCHJVJOBQIB-WDDWZANVSA-N 0 0 572.608 5.492 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158235 554233504 /nfs/dbraw/zinc/23/35/04/554233504.db2.gz YNDRVXLKMGWFCX-AYRHNUGRSA-N 0 0 573.045 5.096 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100160814 554234934 /nfs/dbraw/zinc/23/49/34/554234934.db2.gz LPZWASJGDVNTTC-PZUNEJSGSA-N 0 0 594.561 5.592 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C ZINC000100165513 554236565 /nfs/dbraw/zinc/23/65/65/554236565.db2.gz LZJJHYYMFSRZPM-NOVCHMFLSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cc(Br)ccc4OC)C(=O)O3)cc2)cc1 ZINC000100166085 554236806 /nfs/dbraw/zinc/23/68/06/554236806.db2.gz VTAJMUHAOPTLEU-HFTWOUSFSA-N 0 0 546.505 8.372 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000100167094 554237129 /nfs/dbraw/zinc/23/71/29/554237129.db2.gz HSRGWNFPPGUEEY-FOBVOXKNSA-N 0 0 543.792 9.454 50 30 KKEARN Clc1cccc(Cl)c1Cn1cc(/C=N/N=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c2ccccc21 ZINC000100167779 554237671 /nfs/dbraw/zinc/23/76/71/554237671.db2.gz RDKGPVHIBRQABA-SMXMXQJSSA-N 0 0 604.368 9.759 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100170510 554237915 /nfs/dbraw/zinc/23/79/15/554237915.db2.gz ZJEFGNCWTDJDHJ-IEZKXTBUSA-N 0 0 594.561 5.592 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100172120 554238773 /nfs/dbraw/zinc/23/87/73/554238773.db2.gz OFWZCJZZDVQQKV-GVXSCFBNSA-N 0 0 595.092 6.068 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000100173283 554239593 /nfs/dbraw/zinc/23/95/93/554239593.db2.gz UYEFHYISIRHKQF-SGKAGCCVSA-N 0 0 624.203 7.519 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100174140 554239808 /nfs/dbraw/zinc/23/98/08/554239808.db2.gz PSHYORGHJJZVPX-PNTFMKQHSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100176209 554240637 /nfs/dbraw/zinc/24/06/37/554240637.db2.gz ZIRGECIWPQAGCC-PNTFMKQHSA-N 0 0 613.082 6.207 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100176203 554240640 /nfs/dbraw/zinc/24/06/40/554240640.db2.gz RFJCOWNPDHZBGY-IEZKXTBUSA-N 0 0 611.547 6.582 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccsc1 ZINC000100179331 554241488 /nfs/dbraw/zinc/24/14/88/554241488.db2.gz ZYHZGJAWFLRQLF-AKIFATBCSA-N 0 0 582.600 5.514 50 30 KKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Br)c(OCc4ccccc4)c(Br)c3)S2)c1 ZINC000100193123 554245460 /nfs/dbraw/zinc/24/54/60/554245460.db2.gz HGHUVNHGNQPSHG-XKZIYDEJSA-N 0 0 572.322 7.299 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000100207195 554248305 /nfs/dbraw/zinc/24/83/05/554248305.db2.gz UKAJTGNMXJNHSB-UHFFFAOYSA-N 0 0 564.520 7.010 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1 ZINC000100210536 554248858 /nfs/dbraw/zinc/24/88/58/554248858.db2.gz PMBIPULRKIVNJB-UHFFFAOYSA-N 0 0 565.504 7.437 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000100214968 554249761 /nfs/dbraw/zinc/24/97/61/554249761.db2.gz FRQPUQHZUFMTGK-XMMPIXPASA-N 0 0 536.411 6.322 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1ccccc1C#N ZINC000100214812 554249790 /nfs/dbraw/zinc/24/97/90/554249790.db2.gz ZEWFESAXOWSRGJ-RUZDIDTESA-N 0 0 541.401 5.641 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)cc1 ZINC000100217234 554250945 /nfs/dbraw/zinc/25/09/45/554250945.db2.gz AAFBCHKRPLFLHQ-FPVUOMKESA-N 0 0 561.660 5.084 50 30 KKEARN CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)ON1C(=O)CCC1=O ZINC000100221312 554251761 /nfs/dbraw/zinc/25/17/61/554251761.db2.gz JIXAKJALBJDZTP-VWLOTQADSA-N 0 0 560.672 5.212 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000100228513 554254383 /nfs/dbraw/zinc/25/43/83/554254383.db2.gz YJMUDZVQRVYPDW-UEKJMWEMSA-N 0 0 512.675 7.601 50 30 KKEARN CC(NC1CCCCC1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000100230023 554255552 /nfs/dbraw/zinc/25/55/52/554255552.db2.gz MMUHYLJWUOGYJV-RFPSBMLKSA-N 0 0 541.536 6.637 50 30 KKEARN COc1ccc(C(=O)NC(C(C(=O)Nc2ccccc2)=C(C)NCc2ccco2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000100230020 554255623 /nfs/dbraw/zinc/25/56/23/554255623.db2.gz FIRCSRYUKHLKRW-ODKMJICJSA-N 0 0 555.475 5.797 50 30 KKEARN COc1ccc(C(=O)NC(C2=C(NCc3ccc(F)cc3)CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000100230055 554255743 /nfs/dbraw/zinc/25/57/43/554255743.db2.gz CMYPBWRNDMCBPJ-UHFFFAOYSA-N 0 0 546.483 5.861 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000100233443 554257793 /nfs/dbraw/zinc/25/77/93/554257793.db2.gz UGLFSOIMTIODBP-NEQGSXNKSA-N 0 0 551.462 6.439 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000100233470 554257800 /nfs/dbraw/zinc/25/78/00/554257800.db2.gz JCMZVVJNEQYBDR-VUJYMNLJSA-N 0 0 537.037 6.338 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S/C2=N/c2ccccc2)cc1 ZINC000100236418 554258540 /nfs/dbraw/zinc/25/85/40/554258540.db2.gz BXBSWGHRZPNKNM-GPCSKMTCSA-N 0 0 545.458 7.522 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1 ZINC000100241262 554260197 /nfs/dbraw/zinc/26/01/97/554260197.db2.gz IRYSAPZKDFWDTM-WIOPSUGQSA-N 0 0 588.513 5.766 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000100252967 554263513 /nfs/dbraw/zinc/26/35/13/554263513.db2.gz NAVAUIBHBBSYLW-CIAFOILYSA-N 0 0 558.385 5.976 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000038143155 554265427 /nfs/dbraw/zinc/26/54/27/554265427.db2.gz KTJPWDKOKGANNX-AREMUKBSSA-O 0 0 537.743 6.219 50 30 in-vitro KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000100261543 554265582 /nfs/dbraw/zinc/26/55/82/554265582.db2.gz FYXNUPMCIOKUGO-KBVAKVRCSA-N 0 0 556.287 8.516 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=O)N=C4SC(C(C)C)=NN4C3=N)cc2OC)c(OC)c1 ZINC000100267838 554267937 /nfs/dbraw/zinc/26/79/37/554267937.db2.gz RQDMGNNXBFXUQH-FMGBEMSTSA-N 0 0 534.638 5.165 50 30 KKEARN COc1ccc(C(=O)C=C2CC(=CC(=O)c3ccc(OC)cc3)N(C(=O)c3ccc(OC)cc3)C=N2)cc1 ZINC000040217206 554283171 /nfs/dbraw/zinc/28/31/71/554283171.db2.gz VYRAJWRUAHXASQ-HKOYGPOVSA-N 0 0 510.546 5.120 50 30 KKEARN O=P(OCC(F)(F)F)(OCC(F)(F)F)O[C@@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F ZINC000100293426 554285468 /nfs/dbraw/zinc/28/54/68/554285468.db2.gz AUNLMCZCNWMIKE-VIFPVBQESA-N 0 0 503.081 6.746 50 30 KKEARN CC(C)(O[P@@](=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc1ccccc1)C(F)(F)C(F)F ZINC000100293471 554285497 /nfs/dbraw/zinc/28/54/97/554285497.db2.gz VYHAXDHZLBPMGL-UMSFTDKQSA-N 0 0 548.232 7.354 50 30 KKEARN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)c(Br)cc1OCc1ccccc1C#N ZINC000100310383 554300233 /nfs/dbraw/zinc/30/02/33/554300233.db2.gz CKYLQQUQYMMFEP-MZJWZYIUSA-N 0 0 520.412 5.338 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000100316246 554303018 /nfs/dbraw/zinc/30/30/18/554303018.db2.gz QWDMUCVFSTVNDD-UHFFFAOYSA-N 0 0 628.585 6.589 50 30 KKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(Br)cc2)cc1 ZINC000044858962 554305913 /nfs/dbraw/zinc/30/59/13/554305913.db2.gz WLUDVDCRHFSCON-HSZRJFAPSA-N 0 0 505.416 5.864 50 30 KKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(Br)cc2)cc1C ZINC000044859358 554305943 /nfs/dbraw/zinc/30/59/43/554305943.db2.gz OUBVUAPREWHUGN-DEOSSOPVSA-N 0 0 519.443 6.173 50 30 KKEARN COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OC ZINC000100322982 554306856 /nfs/dbraw/zinc/30/68/56/554306856.db2.gz KGVOUKQUCCLIMR-KIZKDISCSA-N 0 0 523.452 6.139 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000049710817 554324468 /nfs/dbraw/zinc/32/44/68/554324468.db2.gz XWZDQSDJNISCRO-BIEDDHLVSA-N 0 0 534.523 7.793 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Br ZINC000049710822 554324491 /nfs/dbraw/zinc/32/44/91/554324491.db2.gz FVULOFQWRPTTGM-DWXRJYCRSA-N 0 0 540.454 5.781 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc4c(cc3Br)OCO4)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049767232 554325684 /nfs/dbraw/zinc/32/56/84/554325684.db2.gz CSFTVYLRMKRRPN-RPPGKUMJSA-N 0 0 579.371 5.213 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918091 554327075 /nfs/dbraw/zinc/32/70/75/554327075.db2.gz GGQPJZBVFPWEKT-NYFMKLKXSA-N 0 0 558.634 6.696 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)CCOc1ccc(C)cc1 ZINC000053253823 554330432 /nfs/dbraw/zinc/33/04/32/554330432.db2.gz MCAHCMYTMMVFID-UMSFTDKQSA-N 0 0 562.666 7.236 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348237 554330569 /nfs/dbraw/zinc/33/05/69/554330569.db2.gz VYJZQPWFOPFQHJ-PGWWVJEZSA-N 0 0 537.613 5.055 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1-c1ccc(Br)cc1 ZINC000053287470 554330962 /nfs/dbraw/zinc/33/09/62/554330962.db2.gz BYCSXFORQCIRGH-UHFFFAOYSA-N 0 0 543.244 5.330 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000053289960 554330974 /nfs/dbraw/zinc/33/09/74/554330974.db2.gz KSOBETNRXXAWKW-SSEXGKCCSA-N 0 0 533.580 5.815 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000053289995 554331243 /nfs/dbraw/zinc/33/12/43/554331243.db2.gz MCTKXNODNLRCJD-RUZDIDTESA-N 0 0 531.077 7.647 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291787 554331833 /nfs/dbraw/zinc/33/18/33/554331833.db2.gz HNOGCPYGXXLIBB-SANMLTNESA-N 0 0 574.611 5.353 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053292072 554332438 /nfs/dbraw/zinc/33/24/38/554332438.db2.gz KDRXPXFOQQFQJF-XMMPIXPASA-N 0 0 529.574 6.003 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053306033 554333065 /nfs/dbraw/zinc/33/30/65/554333065.db2.gz HOBSWOPKKAONSB-JMQGSBJISA-N 0 0 568.695 7.099 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306634 554334462 /nfs/dbraw/zinc/33/44/62/554334462.db2.gz ZKBUUTKCEJIAQT-FQEVSTJZSA-N 0 0 525.449 6.520 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053319110 554335940 /nfs/dbraw/zinc/33/59/40/554335940.db2.gz FHOPAFLEIUHOSK-KEEVHDRGSA-N 0 0 574.658 7.503 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000053319151 554336310 /nfs/dbraw/zinc/33/63/10/554336310.db2.gz QTLVZYOFSGOZDZ-SSEXGKCCSA-N 0 0 533.584 7.312 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(F)(F)F)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000053319319 554337234 /nfs/dbraw/zinc/33/72/34/554337234.db2.gz LFOLCOSIEXKAQA-HEIROHQZSA-N 0 0 562.632 8.195 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)C=Cc1ccccc1 ZINC000053319278 554337276 /nfs/dbraw/zinc/33/72/76/554337276.db2.gz CYMWAFGYYDZLJK-AZWSXNEJSA-N 0 0 552.324 5.382 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000053319361 554337472 /nfs/dbraw/zinc/33/74/72/554337472.db2.gz LFDZYHZYPREMLE-QCBOHVIISA-N 0 0 588.714 9.484 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000053319393 554337661 /nfs/dbraw/zinc/33/76/61/554337661.db2.gz HPLUMIAKUYCBTA-RUZDIDTESA-N 0 0 535.438 6.110 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000053319435 554337815 /nfs/dbraw/zinc/33/78/15/554337815.db2.gz YLURVBPDUSIJMS-QCBOHVIISA-N 0 0 565.714 8.373 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000053319421 554337984 /nfs/dbraw/zinc/33/79/84/554337984.db2.gz DBQVRZKNEFHGQQ-OGVWKLGRSA-N 0 0 540.679 7.951 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053332483 554338965 /nfs/dbraw/zinc/33/89/65/554338965.db2.gz LWHIMLHRXMWUTF-AREMUKBSSA-N 0 0 588.638 5.493 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000053332088 554339052 /nfs/dbraw/zinc/33/90/52/554339052.db2.gz FPMLZKWHBYTRPG-HSZRJFAPSA-N 0 0 523.383 5.030 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053333460 554339315 /nfs/dbraw/zinc/33/93/15/554339315.db2.gz ACJNYJQJTNARRZ-SXBQZSJRSA-N 0 0 563.031 6.073 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000053332960 554339548 /nfs/dbraw/zinc/33/95/48/554339548.db2.gz MEOFQBLSASCEKX-GDJIYFAZSA-N 0 0 538.669 7.143 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000053333655 554339661 /nfs/dbraw/zinc/33/96/61/554339661.db2.gz GEMYNIOBWZXKIL-SANMLTNESA-N 0 0 544.629 6.030 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000053334018 554339806 /nfs/dbraw/zinc/33/98/06/554339806.db2.gz KOGLUBGNPXGHJU-UKPGIYTDSA-N 0 0 572.467 8.739 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053333720 554339816 /nfs/dbraw/zinc/33/98/16/554339816.db2.gz XIKOBSVLTLOWBK-QUGAMOGWSA-N 0 0 526.614 6.110 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000053335042 554340685 /nfs/dbraw/zinc/34/06/85/554340685.db2.gz AYUWVGXCSDHLBK-LJAQVGFWSA-N 0 0 584.694 6.892 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000053335047 554340771 /nfs/dbraw/zinc/34/07/71/554340771.db2.gz AYUWVGXCSDHLBK-GDLZYMKVSA-N 0 0 584.694 6.892 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000053335089 554340801 /nfs/dbraw/zinc/34/08/01/554340801.db2.gz YGTDKUJUBKRPCM-WJOKGBTCSA-N 0 0 563.606 5.824 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000053336197 554341555 /nfs/dbraw/zinc/34/15/55/554341555.db2.gz SKYDUIRPIPWPIR-NFQMXDRXSA-N 0 0 550.533 5.945 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000053339178 554342990 /nfs/dbraw/zinc/34/29/90/554342990.db2.gz HPEWCLFGJKCYFK-AREMUKBSSA-N 0 0 544.629 6.058 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000053339175 554343308 /nfs/dbraw/zinc/34/33/08/554343308.db2.gz HPEWCLFGJKCYFK-SANMLTNESA-N 0 0 544.629 6.058 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000053339435 554343587 /nfs/dbraw/zinc/34/35/87/554343587.db2.gz SPIQTOOXWNGUBA-NDEPHWFRSA-N 0 0 586.666 6.265 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000053359619 554344945 /nfs/dbraw/zinc/34/49/45/554344945.db2.gz RZVXFMYOFMTGIN-GZGVDWRWSA-N 0 0 579.096 7.880 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)c(Cl)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000053359658 554345255 /nfs/dbraw/zinc/34/52/55/554345255.db2.gz UMUDVBGORMEWBM-JIYROHSKSA-N 0 0 547.526 8.783 50 30 KKEARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000100406893 554373884 /nfs/dbraw/zinc/37/38/84/554373884.db2.gz KUZHHWYOLKZDSE-TXBHVNISSA-N 0 0 555.578 5.315 50 30 KKEARN N#Cc1c(C=CNc2cccc(C(F)(F)F)c2)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000100408084 554374449 /nfs/dbraw/zinc/37/44/49/554374449.db2.gz RLMAOCOLVAILLM-SNAWJCMRSA-N 0 0 506.884 7.335 50 30 KKEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000100415414 554381617 /nfs/dbraw/zinc/38/16/17/554381617.db2.gz ZGCAFGYHNACVHA-OAQYLSRUSA-N 0 0 582.037 5.336 50 30 KKEARN O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccc(Cl)cc1Cl ZINC000100457731 554397271 /nfs/dbraw/zinc/39/72/71/554397271.db2.gz YXHUYRRFJIBZIH-VWJSQJICSA-N 0 0 588.716 8.709 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503717 554399508 /nfs/dbraw/zinc/39/95/08/554399508.db2.gz IQWNEEWFQROIQC-JRPXNJEYSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503718 554399623 /nfs/dbraw/zinc/39/96/23/554399623.db2.gz IQWNEEWFQROIQC-URAOTHONSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059514810 554401764 /nfs/dbraw/zinc/40/17/64/554401764.db2.gz NWJBCKAFQFJMFV-IIMAJNMQSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000059523745 554405166 /nfs/dbraw/zinc/40/51/66/554405166.db2.gz KWIHQYXCSSHXRX-DFXYEROKSA-N 0 0 559.062 6.366 50 30 KKEARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(OC)ccc3NC(C)(C)/C2=N\c2ccc(OC)cc2)S1 ZINC000100502667 554406350 /nfs/dbraw/zinc/40/63/50/554406350.db2.gz OANXNGFBTXJMLR-QYQHSDTDSA-N 0 0 526.636 5.387 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000059595942 554408258 /nfs/dbraw/zinc/40/82/58/554408258.db2.gz OYOGYIPDHKETCV-OXYPMYLPSA-N 0 0 539.628 5.942 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000059603619 554410172 /nfs/dbraw/zinc/41/01/72/554410172.db2.gz PXOKZVNICPBXOT-UHFFFAOYSA-N 0 0 546.524 5.223 50 30 KKEARN Cc1c(/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000100531461 554410838 /nfs/dbraw/zinc/41/08/38/554410838.db2.gz HBOWWFLQADPJPJ-VULFUBBASA-N 0 0 546.590 5.812 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000059620922 554414479 /nfs/dbraw/zinc/41/44/79/554414479.db2.gz REUKUKDNBKXSOG-OIPNOHFQSA-N 0 0 547.648 5.186 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100550260 554414632 /nfs/dbraw/zinc/41/46/32/554414632.db2.gz YMUOTQDQFMUMNW-GOXGLGGOSA-N 0 0 553.655 6.078 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000059626779 554415237 /nfs/dbraw/zinc/41/52/37/554415237.db2.gz UQHBKEKIVCEODL-CHJDUVSTSA-N 0 0 543.063 6.666 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100553579 554415347 /nfs/dbraw/zinc/41/53/47/554415347.db2.gz BEIFESRXCUTSIZ-PBBNMVCDSA-N 0 0 622.943 6.964 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100553079 554415354 /nfs/dbraw/zinc/41/53/54/554415354.db2.gz RAWDPXMZHWCKKX-DICHSLLOSA-N 0 0 537.656 6.589 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000059627190 554415592 /nfs/dbraw/zinc/41/55/92/554415592.db2.gz DTFSHOGMHIMQLM-UHFFFAOYSA-N 0 0 545.612 5.840 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000100554312 554415822 /nfs/dbraw/zinc/41/58/22/554415822.db2.gz ZIAPDLGHZNSKQI-SLGOVJDISA-N 0 0 558.074 6.723 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100556445 554416331 /nfs/dbraw/zinc/41/63/31/554416331.db2.gz AIEMBPNUZVCPNN-UBOZLPQGSA-N 0 0 581.665 6.124 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100557467 554416895 /nfs/dbraw/zinc/41/68/95/554416895.db2.gz FMTVNPGDULBHRC-DWXRJYCRSA-N 0 0 620.993 6.865 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557437 554416920 /nfs/dbraw/zinc/41/69/20/554416920.db2.gz WZXFVRSYNRSROX-KPURRNSFSA-N 0 0 530.020 6.029 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100561551 554418060 /nfs/dbraw/zinc/41/80/60/554418060.db2.gz ZRPPTSWNJVOPLN-CMVGPNDKSA-N 0 0 551.683 6.835 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562430 554418684 /nfs/dbraw/zinc/41/86/84/554418684.db2.gz SGOZMXQSZXFNOA-RBTNQOKQSA-N 0 0 566.912 7.794 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Br)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100563001 554418862 /nfs/dbraw/zinc/41/88/62/554418862.db2.gz AACIDKCASCFPJZ-DFHRPNOPSA-N 0 0 528.446 6.554 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100564882 554419398 /nfs/dbraw/zinc/41/93/98/554419398.db2.gz BYWFUOMQBBBQDB-DJUQAAIZSA-N 0 0 602.525 6.701 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100570482 554421932 /nfs/dbraw/zinc/42/19/32/554421932.db2.gz AZSKIGFMXFBHJR-PNJMJVHGSA-N 0 0 523.998 5.238 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100574840 554422670 /nfs/dbraw/zinc/42/26/70/554422670.db2.gz UHHNMSBZGDALBH-SSOJOUAXSA-N 0 0 534.867 6.588 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000100574842 554422675 /nfs/dbraw/zinc/42/26/75/554422675.db2.gz UHHNMSBZGDALBH-GKVSMKOHSA-N 0 0 534.867 6.588 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100575827 554423097 /nfs/dbraw/zinc/42/30/97/554423097.db2.gz GQVXBPXINIRPHX-SSOJOUAXSA-N 0 0 530.448 6.411 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100576007 554423354 /nfs/dbraw/zinc/42/33/54/554423354.db2.gz VFNCMGGDZGDMLW-HFJWLAOPSA-N 0 0 604.925 6.148 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000100581372 554425074 /nfs/dbraw/zinc/42/50/74/554425074.db2.gz ZBXSGHDRJZGBNX-PPHZAIPVSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000059696276 554425344 /nfs/dbraw/zinc/42/53/44/554425344.db2.gz NUWXYZYFUCDFPK-WWZNSYORSA-N 0 0 552.067 6.367 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(S[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)c1OC ZINC000100583693 554425745 /nfs/dbraw/zinc/42/57/45/554425745.db2.gz AJQSTANSZGEQAX-HHHXNRCGSA-N 0 0 535.625 6.037 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000059706422 554426239 /nfs/dbraw/zinc/42/62/39/554426239.db2.gz FSVQCVWFXBYEQK-XHCCPWGMSA-N 0 0 600.506 5.503 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000059706446 554426267 /nfs/dbraw/zinc/42/62/67/554426267.db2.gz YVPJEJAIOCYVNG-KWMCUTETSA-N 0 0 554.470 6.960 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000059706425 554426309 /nfs/dbraw/zinc/42/63/09/554426309.db2.gz FSVQCVWFXBYEQK-UZTOHYMASA-N 0 0 600.506 5.503 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000059735756 554427242 /nfs/dbraw/zinc/42/72/42/554427242.db2.gz CBIWVYWGIYHNIC-GFJKYASSSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588020 554427294 /nfs/dbraw/zinc/42/72/94/554427294.db2.gz XYPRDYZQRQWKPW-WHLCRQNOSA-N 0 0 614.533 6.187 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100588286 554428015 /nfs/dbraw/zinc/42/80/15/554428015.db2.gz SBEUCRHWCYCDOV-CLYVBNDRSA-N 0 0 600.506 5.798 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100593307 554429223 /nfs/dbraw/zinc/42/92/23/554429223.db2.gz JCCHLPNDXOLUEW-UVDDSOTQSA-N 0 0 561.675 6.046 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100593313 554429462 /nfs/dbraw/zinc/42/94/62/554429462.db2.gz MNBAEYPXMCAEFK-SLQAJWMNSA-N 0 0 626.544 6.418 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000100593531 554429731 /nfs/dbraw/zinc/42/97/31/554429731.db2.gz ONCKKXXNIVHZGE-PLGUFQJHSA-N 0 0 629.753 7.430 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100597655 554430376 /nfs/dbraw/zinc/43/03/76/554430376.db2.gz XXJFTXQYOOHVJZ-HNDADQJNSA-N 0 0 614.533 6.187 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100600075 554431536 /nfs/dbraw/zinc/43/15/36/554431536.db2.gz LGSLFLGFTDVEAZ-VAZNRNFQSA-N 0 0 614.533 6.187 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100600066 554431543 /nfs/dbraw/zinc/43/15/43/554431543.db2.gz JGFVPAABMSPVDK-YKGWIAGDSA-N 0 0 563.647 5.343 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100600144 554431846 /nfs/dbraw/zinc/43/18/46/554431846.db2.gz UNBPJAWFAIOQTI-JMQGSBJISA-N 0 0 600.506 5.798 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100608101 554432278 /nfs/dbraw/zinc/43/22/78/554432278.db2.gz GHLHYSLEDVZXEQ-RUZDIDTESA-N 0 0 539.470 6.017 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100608072 554432287 /nfs/dbraw/zinc/43/22/87/554432287.db2.gz GNMMGKWUZXRHJE-WJOKGBTCSA-N 0 0 552.671 6.526 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000100616074 554432651 /nfs/dbraw/zinc/43/26/51/554432651.db2.gz ONSVFZMLFDSCTI-RUZDIDTESA-N 0 0 522.432 6.046 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C1/C(=N)N2N=C(CC)SC2=NC1=O ZINC000100642253 554436293 /nfs/dbraw/zinc/43/62/93/554436293.db2.gz FXXDBXLWIVYVKY-XIFKCTFISA-N 0 0 539.455 5.665 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OC ZINC000100642179 554436307 /nfs/dbraw/zinc/43/63/07/554436307.db2.gz PSERDCADHWMWKS-SVWNWVSSSA-N 0 0 569.481 5.673 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OC ZINC000100642175 554436314 /nfs/dbraw/zinc/43/63/14/554436314.db2.gz DYNUJEOGBBFDHQ-SVWNWVSSSA-N 0 0 616.481 5.515 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100650323 554437131 /nfs/dbraw/zinc/43/71/31/554437131.db2.gz PPUJAYMIAYIGRQ-HSZRJFAPSA-N 0 0 552.494 6.310 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650144 554437139 /nfs/dbraw/zinc/43/71/39/554437139.db2.gz KRYWOLPZQQFNMN-OAQYLSRUSA-N 0 0 545.275 5.849 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OC ZINC000100656751 554437974 /nfs/dbraw/zinc/43/79/74/554437974.db2.gz DISMADHYWCSMRF-MGKZEPQOSA-N 0 0 583.508 5.919 50 30 KKEARN CCCCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100657974 554438206 /nfs/dbraw/zinc/43/82/06/554438206.db2.gz UFOOHHNJORACPU-UHFFFAOYSA-N 0 0 615.952 8.900 50 30 KKEARN CCC1(CC)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C(=O)C(CC)(CC)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C1=O ZINC000100661510 554438873 /nfs/dbraw/zinc/43/88/73/554438873.db2.gz MBXYPKFNRMBSHL-OJYNNELHSA-N 0 0 632.794 6.291 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100664936 554439944 /nfs/dbraw/zinc/43/99/44/554439944.db2.gz UQPUUONRDXLXHV-QHCPKHFHSA-N 0 0 552.494 6.310 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100669816 554440976 /nfs/dbraw/zinc/44/09/76/554440976.db2.gz QNRIIRXYVLYNGM-PIKZIKFNSA-N 0 0 548.630 7.428 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000100670263 554441232 /nfs/dbraw/zinc/44/12/32/554441232.db2.gz AHVXJUBIJSHKKO-SSEXGKCCSA-N 0 0 600.647 6.268 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000100670287 554441247 /nfs/dbraw/zinc/44/12/47/554441247.db2.gz IVNGQQTZILYYOI-MUUNZHRXSA-N 0 0 558.566 5.323 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000100670218 554441277 /nfs/dbraw/zinc/44/12/77/554441277.db2.gz ZTLMTGVNSKVRLH-AREMUKBSSA-N 0 0 577.657 6.025 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1cccc(Br)c1 ZINC000100673856 554442290 /nfs/dbraw/zinc/44/22/90/554442290.db2.gz MUZUFURXRCREBI-KSNOWIBYSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(SC)cc1 ZINC000100674045 554442562 /nfs/dbraw/zinc/44/25/62/554442562.db2.gz VVHFZLSNRTVJLO-QGUKFAFCSA-N 0 0 535.662 5.131 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccc4ccccc4c3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100677429 554444717 /nfs/dbraw/zinc/44/47/17/554444717.db2.gz KUDHYSZIQQFDSC-QQJNOOCOSA-N 0 0 520.419 7.431 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100680048 554445986 /nfs/dbraw/zinc/44/59/86/554445986.db2.gz FRPPLAWOEPCRGN-NBKNYSPXSA-N 0 0 527.590 6.892 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100680261 554446149 /nfs/dbraw/zinc/44/61/49/554446149.db2.gz MNYDDVNGEBQEQH-QHCPKHFHSA-N 0 0 534.634 5.762 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000059844553 554447973 /nfs/dbraw/zinc/44/79/73/554447973.db2.gz KFHKMMHGGFDJBK-QLXKLKPCSA-N 0 0 554.437 5.500 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059844669 554447954 /nfs/dbraw/zinc/44/79/54/554447954.db2.gz BAXQRYJHVNFLRS-SANMLTNESA-N 0 0 534.008 5.802 50 30 biogenic KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000059844663 554448038 /nfs/dbraw/zinc/44/80/38/554448038.db2.gz IWOCRYKSOJBYNE-PIKZIKFNSA-N 0 0 537.678 5.457 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059844522 554448083 /nfs/dbraw/zinc/44/80/83/554448083.db2.gz HCHAZMKINHPORA-HRSKYJMSSA-N 0 0 534.565 5.035 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000100685831 554449317 /nfs/dbraw/zinc/44/93/17/554449317.db2.gz RFPLUXAZVMNLHH-VTNSRFBWSA-N 0 0 525.590 6.224 50 30 KKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CN(Cc1ccccc1)CC3 ZINC000100690286 554449936 /nfs/dbraw/zinc/44/99/36/554449936.db2.gz LIBJBPQBPUHWSU-VTNSRFBWSA-N 0 0 540.092 6.164 50 30 KKEARN O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1 ZINC000100691932 554450152 /nfs/dbraw/zinc/45/01/52/554450152.db2.gz UMSYUEDDWNCQLJ-LIMNOBDPSA-N 0 0 539.636 6.541 50 30 KKEARN CCCCCCCCCCCCCC[C@@H](C(=O)[O-])[n+]1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000100698150 554451389 /nfs/dbraw/zinc/45/13/89/554451389.db2.gz RJQIZRZNXCEPBH-DHUJRADRSA-O 0 0 584.821 9.321 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000100701582 554451971 /nfs/dbraw/zinc/45/19/71/554451971.db2.gz DFZFMALKTHJEQO-NRFANRHFSA-N 0 0 526.977 7.626 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100701913 554452284 /nfs/dbraw/zinc/45/22/84/554452284.db2.gz HLBQJGPPTDDSNJ-OAQYLSRUSA-N 0 0 577.877 8.793 50 30 KKEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(N5N=C(c6ccccc6)C[C@H]5c5ccccc5)cc4)c3=O)c2c1 ZINC000100707608 554453068 /nfs/dbraw/zinc/45/30/68/554453068.db2.gz QZNSXHCXQSRWOD-CCOBIQQASA-N 0 0 538.611 6.124 50 30 KKEARN O=[N+]([O-])C(N=Nc1nc2ccccc2n1Cc1ccccc1)=NN=c1[nH]c2ccccc2n1Cc1ccccc1 ZINC000100712415 554454568 /nfs/dbraw/zinc/45/45/68/554454568.db2.gz XFDIUBLOGSNUMU-HNIOBKAMSA-N 0 0 529.564 6.226 50 30 KKEARN O=C(Nc1ccccc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100719409 554455195 /nfs/dbraw/zinc/45/51/95/554455195.db2.gz SEFXBBQMXLZSOF-UHFFFAOYSA-N 0 0 583.238 7.635 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100726575 554456834 /nfs/dbraw/zinc/45/68/34/554456834.db2.gz YJFLVWWHHBYKSR-QHCPKHFHSA-N 0 0 571.486 8.920 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100726570 554456977 /nfs/dbraw/zinc/45/69/77/554456977.db2.gz YJFLVWWHHBYKSR-HSZRJFAPSA-N 0 0 571.486 8.920 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000100726774 554457143 /nfs/dbraw/zinc/45/71/43/554457143.db2.gz NZDWLQLWHPQVIU-XMMPIXPASA-N 0 0 567.067 8.275 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100726781 554457234 /nfs/dbraw/zinc/45/72/34/554457234.db2.gz DUQUETWRAXSZIZ-XMMPIXPASA-N 0 0 551.068 8.575 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100726794 554457238 /nfs/dbraw/zinc/45/72/38/554457238.db2.gz LFCDYLMWJPOEGD-QHCPKHFHSA-N 0 0 605.931 9.574 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@@](=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000100728588 554458745 /nfs/dbraw/zinc/45/87/45/554458745.db2.gz URCWKIBFXYDUPU-NWWWKGIRSA-N 0 0 556.753 6.854 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732469 554460264 /nfs/dbraw/zinc/46/02/64/554460264.db2.gz MUZUFURXRCREBI-ZPZUNKDASA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000100732596 554460569 /nfs/dbraw/zinc/46/05/69/554460569.db2.gz NUXISBIELAMQPK-HDYLNDSGSA-N 0 0 535.662 5.131 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736789 554461252 /nfs/dbraw/zinc/46/12/52/554461252.db2.gz CQYZKEDBUOVUKB-QFIPXVFZSA-N 0 0 536.606 5.127 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000100737253 554461344 /nfs/dbraw/zinc/46/13/44/554461344.db2.gz PBXKFQGNNGPPIH-UHFFFAOYSA-N 0 0 605.738 7.086 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000100738126 554461489 /nfs/dbraw/zinc/46/14/89/554461489.db2.gz KNHKUVKVPYVUCJ-UHFFFAOYSA-N 0 0 581.713 6.657 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000100745952 554464399 /nfs/dbraw/zinc/46/43/99/554464399.db2.gz YRYBRNOOGXAPLK-QTTRZTASSA-N 0 0 606.542 5.019 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)cc1C ZINC000100764684 554469904 /nfs/dbraw/zinc/46/99/04/554469904.db2.gz XQXBRBRRLYJMIA-QYSZHFNSSA-N 0 0 545.774 7.830 50 30 KKEARN Cc1cccc(NC2=C(n3nnc4ccccc43)C(=O)C(Nc3cccc(C)c3)=C(n3nnc4ccccc43)C2=O)c1 ZINC000100801647 554474538 /nfs/dbraw/zinc/47/45/38/554474538.db2.gz XPGBIHMJATYPFT-UHFFFAOYSA-N 0 0 552.598 5.206 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000100812342 554475198 /nfs/dbraw/zinc/47/51/98/554475198.db2.gz UGAKWIOOXYVLFF-BKKFENPESA-N 0 0 542.513 5.083 50 30 KKEARN CCCCc1ccc(N=C2C=C(NS(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1 ZINC000100822449 554481080 /nfs/dbraw/zinc/48/10/80/554481080.db2.gz HFSAVBJTKQGHDG-OLFWJLLRSA-N 0 0 523.452 6.162 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000100823081 554481421 /nfs/dbraw/zinc/48/14/21/554481421.db2.gz QXZIJCPPUDOSTC-MRXNPFEDSA-N 0 0 564.748 6.141 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000100835383 554483492 /nfs/dbraw/zinc/48/34/92/554483492.db2.gz PTILGJFLCKRMFJ-WWQFTLRMSA-N 0 0 547.836 6.036 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S ZINC000100837086 554484018 /nfs/dbraw/zinc/48/40/18/554484018.db2.gz XTSPSURYFWTHBR-RRAHZORUSA-N 0 0 547.790 8.136 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100837521 554484397 /nfs/dbraw/zinc/48/43/97/554484397.db2.gz JJNMPQOJDMVKJL-MRIAHPSYSA-N 0 0 618.667 5.569 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000100838577 554486117 /nfs/dbraw/zinc/48/61/17/554486117.db2.gz XRCDKYDLGADQAB-OOAXWGSJSA-N 0 0 533.763 7.808 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)SC1=S ZINC000100840160 554488153 /nfs/dbraw/zinc/48/81/53/554488153.db2.gz BTPXIEHCAAGWNN-HFTWOUSFSA-N 0 0 547.790 8.198 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850056 554492615 /nfs/dbraw/zinc/49/26/15/554492615.db2.gz LBGUWZIFKXSRBU-DICHSLLOSA-N 0 0 537.656 6.589 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000100858237 554493976 /nfs/dbraw/zinc/49/39/76/554493976.db2.gz AETUIZMSWQNLAQ-XHPQRKPJSA-N 0 0 519.736 7.418 50 30 KKEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000100868536 554497108 /nfs/dbraw/zinc/49/71/08/554497108.db2.gz FGGXAUKILYLZIU-AREMUKBSSA-N 0 0 624.615 8.660 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OCC)cc3)C2=O)SC1=S ZINC000100871321 554499025 /nfs/dbraw/zinc/49/90/25/554499025.db2.gz BAOGLKDXFIPCMX-IZHYLOQSSA-N 0 0 537.707 5.612 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C2=O)SC1=S ZINC000100872218 554500807 /nfs/dbraw/zinc/50/08/07/554500807.db2.gz BKSGGNVWNYNXFO-FLWNBWAVSA-N 0 0 591.843 7.781 50 30 KKEARN CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SCCCCCCCC)n1 ZINC000060117354 554502261 /nfs/dbraw/zinc/50/22/61/554502261.db2.gz QRLSTWVLSWCGBT-UHFFFAOYSA-N 0 0 588.972 10.821 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)Nc2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000100878822 554505811 /nfs/dbraw/zinc/50/58/11/554505811.db2.gz BPPPYDYBRRJEGA-WWQFTLRMSA-N 0 0 528.406 5.139 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000064624388 554513438 /nfs/dbraw/zinc/51/34/38/554513438.db2.gz BPHQIXJDBIHMLT-UHFFFAOYSA-N 0 0 538.066 7.193 50 30 in-vitro KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2scc(-c3ccco3)c2c1=O ZINC000100912418 554517936 /nfs/dbraw/zinc/51/79/36/554517936.db2.gz QFKHPELDUQXWJE-UHFFFAOYSA-N 0 0 521.649 5.462 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)ONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000100913027 554518622 /nfs/dbraw/zinc/51/86/22/554518622.db2.gz DNCLTGKSGYDDSY-UHFFFAOYSA-N 0 0 536.303 5.361 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100915992 554519670 /nfs/dbraw/zinc/51/96/70/554519670.db2.gz VCWMCJWMEVECJY-UUROJUAVSA-N 0 0 544.007 5.172 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000100920876 554521321 /nfs/dbraw/zinc/52/13/21/554521321.db2.gz NKBZSYBOCGVJKB-YLBMSKMCSA-N 0 0 512.745 5.739 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000100925089 554523712 /nfs/dbraw/zinc/52/37/12/554523712.db2.gz GNKGIXGPMCFPAK-UHFFFAOYSA-N 0 0 614.502 7.147 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2Oc2ccc(Cl)cc2)SC1=S ZINC000100932455 554527962 /nfs/dbraw/zinc/52/79/62/554527962.db2.gz LSRKRYWSKIEJNO-FXBPSFAMSA-N 0 0 528.099 6.702 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000100935058 554529216 /nfs/dbraw/zinc/52/92/16/554529216.db2.gz JCMWKXWVHGAMAW-SSEXGKCCSA-N 0 0 534.578 6.214 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000100948795 554536725 /nfs/dbraw/zinc/53/67/25/554536725.db2.gz DKOJZUNZSQRACM-NDEPHWFRSA-N 0 0 531.678 5.732 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000100948773 554536756 /nfs/dbraw/zinc/53/67/56/554536756.db2.gz QNWKOZWGIOAPKO-MHZLTWQESA-N 0 0 517.651 5.484 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000100960774 554542188 /nfs/dbraw/zinc/54/21/88/554542188.db2.gz IKSPKZNJNYPLLX-LGJNPRDNSA-N 0 0 556.829 6.833 50 30 KKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1Cl ZINC000100971294 554543791 /nfs/dbraw/zinc/54/37/91/554543791.db2.gz KQIKUQBBORIEHK-BQPAJTCCSA-N 0 0 531.987 6.828 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)c1 ZINC000100981780 554547702 /nfs/dbraw/zinc/54/77/02/554547702.db2.gz GLXWVHCABJXEDB-BWUCGBNQSA-N 0 0 526.033 6.081 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000100985576 554548407 /nfs/dbraw/zinc/54/84/07/554548407.db2.gz OPUKSMZUYOHJPG-UHFFFAOYSA-N 0 0 518.591 8.442 50 30 KKEARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/c3ccc(/N=N/c4ccccc4)cc3)cc2[N+](=O)[O-])cc1OC ZINC000100987585 554548597 /nfs/dbraw/zinc/54/85/97/554548597.db2.gz JHBYQJNWNLPBMT-ZEQQMXJHSA-N 0 0 536.544 7.397 50 30 KKEARN CCCCCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000100999916 554552201 /nfs/dbraw/zinc/55/22/01/554552201.db2.gz VTPCYZJYIUDOKO-ULJHMMPZSA-N 0 0 534.751 6.485 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000101009012 554557039 /nfs/dbraw/zinc/55/70/39/554557039.db2.gz UTWAOQZGPNCVRX-FMCGGJTJSA-N 0 0 533.864 7.516 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCCCCCCCCC#CC#CCCCCCCCCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101011694 554558314 /nfs/dbraw/zinc/55/83/14/554558314.db2.gz ZXMYRFGTJNJIFC-UHFFFAOYSA-N 0 0 642.924 8.663 50 30 KKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1ccc(Br)cc1 ZINC000101014035 554558934 /nfs/dbraw/zinc/55/89/34/554558934.db2.gz JAMIOLHZKNYVKA-UHFFFAOYSA-N 0 0 572.738 10.282 50 30 KKEARN CCCCCCCCCCCCCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000101016987 554560660 /nfs/dbraw/zinc/56/06/60/554560660.db2.gz HCUJAOJDMJFRCE-UHFFFAOYSA-N 0 0 528.803 8.317 50 30 KKEARN CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000101017951 554561050 /nfs/dbraw/zinc/56/10/50/554561050.db2.gz ZOWGXOIPMCHIAV-MOHJPFBDSA-N 0 0 534.751 6.485 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)SC1=S ZINC000101021823 554561483 /nfs/dbraw/zinc/56/14/83/554561483.db2.gz ZEGXQMKWTKBAHN-QOMWVZHYSA-N 0 0 535.804 8.213 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000101043532 554568151 /nfs/dbraw/zinc/56/81/51/554568151.db2.gz DCKPPLOMOMXWIN-JENRWRADSA-N 0 0 508.090 5.237 50 30 KKEARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)c(C)c1 ZINC000101064545 554572227 /nfs/dbraw/zinc/57/22/27/554572227.db2.gz WWJKUGYJJDWOTE-HPQIJTKRSA-N 0 0 581.466 5.444 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000101071409 554575749 /nfs/dbraw/zinc/57/57/49/554575749.db2.gz XYNDUDQITWQWHL-SANMLTNESA-N 0 0 543.490 7.022 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072993 554576575 /nfs/dbraw/zinc/57/65/75/554576575.db2.gz VZCHOAMYBRERII-HFEWCJDKSA-N 0 0 519.420 6.302 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1 ZINC000101100614 554587658 /nfs/dbraw/zinc/58/76/58/554587658.db2.gz BPVKQKNJFBRHJE-UHFFFAOYSA-N 0 0 573.358 8.646 50 30 KKEARN CCCN1c2nc3c(C)cccn3c(=O)c2C=C(C(=O)OCC)/C1=C/C(=O)c1ccc(Cl)cc1Cl ZINC000101115344 554642860 /nfs/dbraw/zinc/64/28/60/554642860.db2.gz PQAOUQNYRJFJPO-STZFKDTASA-N 0 0 512.393 5.253 50 30 KKEARN CCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000101129000 554647636 /nfs/dbraw/zinc/64/76/36/554647636.db2.gz LXJLRYTVRDWGTI-BYNJWEBRSA-N 0 0 561.817 8.670 50 30 KKEARN CCOc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000101139118 554652383 /nfs/dbraw/zinc/65/23/83/554652383.db2.gz PBLSRPKYVCDEGV-JGCGQSQUSA-N 0 0 593.705 5.924 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccccc1)c1ccccc1 ZINC000101156710 554658859 /nfs/dbraw/zinc/65/88/59/554658859.db2.gz AUBJJHXOGZLXJB-KFRZYQCMSA-N 0 0 527.588 5.845 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCc2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000101185018 554668898 /nfs/dbraw/zinc/66/88/98/554668898.db2.gz TWLAZZQOXDONEH-UHFFFAOYSA-N 0 0 562.548 7.386 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 ZINC000101184860 554668921 /nfs/dbraw/zinc/66/89/21/554668921.db2.gz DCRZCKCAOKXGSM-UHFFFAOYSA-N 0 0 528.907 8.537 50 30 KKEARN O[C@@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21 ZINC000101192542 554670967 /nfs/dbraw/zinc/67/09/67/554670967.db2.gz FYNCTRKWBJKKHF-GFCCVEGCSA-N 0 0 555.359 6.614 50 30 KKEARN O[C@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc21 ZINC000101192540 554671012 /nfs/dbraw/zinc/67/10/12/554671012.db2.gz FYNCTRKWBJKKHF-LBPRGKRZSA-N 0 0 555.359 6.614 50 30 KKEARN CCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)C[C@@H](c2c(C)cc(C)cc2C)[C@@H](C(=O)OC)C1=O ZINC000101194090 554671528 /nfs/dbraw/zinc/67/15/28/554671528.db2.gz QRECMYJZBSYCJO-QYBUAIHTSA-N 0 0 535.644 6.009 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101194439 554671827 /nfs/dbraw/zinc/67/18/27/554671827.db2.gz KXRJSSADARZKCG-ZUGUERCVSA-N 0 0 549.664 5.814 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(C)cc2)cc1OC ZINC000101194701 554671985 /nfs/dbraw/zinc/67/19/85/554671985.db2.gz RRTDZEVCPPHMHY-HVIPQOSHSA-N 0 0 537.656 6.160 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000101194697 554672021 /nfs/dbraw/zinc/67/20/21/554672021.db2.gz RRTDZEVCPPHMHY-IEWVHIKDSA-N 0 0 537.656 6.160 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)CCCCCCCCCCC ZINC000101204282 554674268 /nfs/dbraw/zinc/67/42/68/554674268.db2.gz YUQOCSBJTKWPGV-UHFFFAOYSA-N 0 0 570.840 7.581 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204463 554674348 /nfs/dbraw/zinc/67/43/48/554674348.db2.gz OEHWHLHVFIKCRH-OOXUFLSTSA-N 0 0 581.709 6.988 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101204513 554674602 /nfs/dbraw/zinc/67/46/02/554674602.db2.gz RCZNHGCSIJHFET-WHLCRQNOSA-N 0 0 600.506 5.416 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204734 554674762 /nfs/dbraw/zinc/67/47/62/554674762.db2.gz HVFLHHGCVUGCCH-DNOBIOAJSA-N 0 0 616.505 5.035 50 30 KKEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208944 554678094 /nfs/dbraw/zinc/67/80/94/554678094.db2.gz LGPAKCBYTJVVPD-UHFFFAOYSA-N 0 0 546.071 5.269 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccc(OC)cc1 ZINC000101209228 554678220 /nfs/dbraw/zinc/67/82/20/554678220.db2.gz MLVBWWQOFYHEQW-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccc(OC)cc1 ZINC000101209232 554678226 /nfs/dbraw/zinc/67/82/26/554678226.db2.gz ZBRBBUIOCNIUEB-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209558 554678515 /nfs/dbraw/zinc/67/85/15/554678515.db2.gz QHPDBAOCVAYCPQ-UHFFFAOYSA-N 0 0 549.458 6.512 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209779 554678516 /nfs/dbraw/zinc/67/85/16/554678516.db2.gz JYPNCZKPJNECTG-QHCPKHFHSA-N 0 0 539.053 5.272 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101210055 554678742 /nfs/dbraw/zinc/67/87/42/554678742.db2.gz OUEUPBLTJISXKW-UHFFFAOYSA-N 0 0 534.081 5.696 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101212648 554679763 /nfs/dbraw/zinc/67/97/63/554679763.db2.gz OBVILJUOKJDDBH-VKGTZQKMSA-N 0 0 616.574 6.133 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212700 554679767 /nfs/dbraw/zinc/67/97/67/554679767.db2.gz HICRACYKWJQTCJ-JPZYQRIQSA-N 0 0 618.524 6.580 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101212680 554679780 /nfs/dbraw/zinc/67/97/80/554679780.db2.gz YYJZXPBXHCDNCV-JXSYCYSGSA-N 0 0 627.734 6.485 50 30 KKEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccccc1Cl ZINC000101212637 554679801 /nfs/dbraw/zinc/67/98/01/554679801.db2.gz QCUVERUTXLMKHP-UHFFFAOYSA-N 0 0 550.034 5.100 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101212944 554680212 /nfs/dbraw/zinc/68/02/12/554680212.db2.gz IPRRXGLCVOALEK-XRHLQHRESA-N 0 0 600.506 5.885 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101212983 554680225 /nfs/dbraw/zinc/68/02/25/554680225.db2.gz ISKLWHLJHACPOJ-VKGTZQKMSA-N 0 0 614.533 6.276 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101212979 554680257 /nfs/dbraw/zinc/68/02/57/554680257.db2.gz ISKLWHLJHACPOJ-HMILPKGGSA-N 0 0 614.533 6.276 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218067 554685072 /nfs/dbraw/zinc/68/50/72/554685072.db2.gz RSPZQUXAYINXQZ-NDOVKIIASA-N 0 0 581.709 6.844 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101218062 554685108 /nfs/dbraw/zinc/68/51/08/554685108.db2.gz VFLPXDZBAUMZLZ-OLILMLBXSA-N 0 0 628.560 6.434 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218123 554685271 /nfs/dbraw/zinc/68/52/71/554685271.db2.gz SWPWLXJEZBNRKB-WMELESEDSA-N 0 0 607.747 7.520 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218220 554685313 /nfs/dbraw/zinc/68/53/13/554685313.db2.gz OLEOOCSRPJRCNO-UIRHMOQASA-N 0 0 581.709 6.986 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000101218407 554685493 /nfs/dbraw/zinc/68/54/93/554685493.db2.gz BAWREZYJZHAZFV-VKGTZQKMSA-N 0 0 630.532 5.510 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101218344 554685500 /nfs/dbraw/zinc/68/55/00/554685500.db2.gz WTALXVWVVHEWKK-WRONEBCDSA-N 0 0 614.533 5.805 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218469 554685665 /nfs/dbraw/zinc/68/56/65/554685665.db2.gz QBZBMODZJMGRAM-MHZLTWQESA-N 0 0 538.735 5.562 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219241 554686105 /nfs/dbraw/zinc/68/61/05/554686105.db2.gz BSZNKEAKHBKDAA-HHHXNRCGSA-N 0 0 554.734 5.262 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101220641 554686596 /nfs/dbraw/zinc/68/65/96/554686596.db2.gz YDLKXNUOYMRMNH-VKGTZQKMSA-N 0 0 630.532 5.425 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220770 554686874 /nfs/dbraw/zinc/68/68/74/554686874.db2.gz YCVNKPFUCPWEJB-RBBQXQBVSA-N 0 0 589.729 6.739 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101237103 554691668 /nfs/dbraw/zinc/69/16/68/554691668.db2.gz OEPQKWRIRQMFHC-LQJZCPKCSA-N 0 0 634.733 5.371 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237625 554692133 /nfs/dbraw/zinc/69/21/33/554692133.db2.gz AYNPKDPHSLIQFN-LITSAYRRSA-N 0 0 588.630 5.024 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237941 554692416 /nfs/dbraw/zinc/69/24/16/554692416.db2.gz ZUEIVWVISBJUJP-SHQCIBLASA-N 0 0 578.566 5.443 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237986 554692507 /nfs/dbraw/zinc/69/25/07/554692507.db2.gz LYETVLYHMYMSHU-RRPNLBNLSA-N 0 0 576.575 5.443 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237989 554692510 /nfs/dbraw/zinc/69/25/10/554692510.db2.gz LYETVLYHMYMSHU-KAYWLYCHSA-N 0 0 576.575 5.443 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237977 554692545 /nfs/dbraw/zinc/69/25/45/554692545.db2.gz BWOZVBGEWYUHRU-NAKRPHOHSA-N 0 0 590.602 5.313 50 30 KKEARN C=CCN1C2=C(C(=O)N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)[C@@H](c2cccc(Cl)c2)NC1=O ZINC000101238664 554692768 /nfs/dbraw/zinc/69/27/68/554692768.db2.gz SBDNBLDNINBHPF-HHHXNRCGSA-N 0 0 528.996 5.120 50 30 KKEARN COc1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(Br)c(OC)c3)C2=O)ccc1Br ZINC000101257700 554697054 /nfs/dbraw/zinc/69/70/54/554697054.db2.gz DSSXFDQHULDYAJ-XOBNHNQQSA-N 0 0 548.315 7.721 50 30 KKEARN COc1ccc(Br)cc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000101256966 554697071 /nfs/dbraw/zinc/69/70/71/554697071.db2.gz IPJPZXDYTOVSST-FWSOMWAYSA-N 0 0 583.320 6.781 50 30 KKEARN COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1Br ZINC000101256953 554697074 /nfs/dbraw/zinc/69/70/74/554697074.db2.gz MOOXRYMOSRDVIN-FWSOMWAYSA-N 0 0 583.320 6.781 50 30 KKEARN COc1ccc(/C=C2\CC/C(=C\c3ccc(OC)c(Cn4nc(C)cc4C)c3)C2=O)cc1Cn1nc(C)cc1C ZINC000101257712 554697077 /nfs/dbraw/zinc/69/70/77/554697077.db2.gz SXQVAPWMAXXVDZ-DPCVLPDWSA-N 0 0 536.676 6.257 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276815 554703112 /nfs/dbraw/zinc/70/31/12/554703112.db2.gz MMAKXGFXONHFFK-VXJPNWOUSA-N 0 0 622.699 6.323 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276793 554703196 /nfs/dbraw/zinc/70/31/96/554703196.db2.gz BGIIRRBXPGSAHO-JVJOXMINSA-N 0 0 616.692 5.708 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277458 554703915 /nfs/dbraw/zinc/70/39/15/554703915.db2.gz LTVQCKQQTOJEKK-WNQPQFFOSA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277732 554704183 /nfs/dbraw/zinc/70/41/83/554704183.db2.gz RLGDCJMKYZHUEJ-MWCANZRFSA-N 0 0 558.656 5.867 50 30 KKEARN C=CCO[C@@H](CN1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1)c1cccc(N2CCCC2)c1 ZINC000101278875 554705093 /nfs/dbraw/zinc/70/50/93/554705093.db2.gz RYWCSKJEINVPSN-SANMLTNESA-N 0 0 569.533 6.259 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101286460 554705970 /nfs/dbraw/zinc/70/59/70/554705970.db2.gz PHLDVGHSEGDDID-JOCHJYFZSA-N 0 0 548.621 5.188 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1 ZINC000101288120 554706557 /nfs/dbraw/zinc/70/65/57/554706557.db2.gz IKILHWMKDHZFKJ-LJAQVGFWSA-N 0 0 561.667 6.923 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1 ZINC000101288116 554706654 /nfs/dbraw/zinc/70/66/54/554706654.db2.gz IKILHWMKDHZFKJ-GDLZYMKVSA-N 0 0 561.667 6.923 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293979 554710262 /nfs/dbraw/zinc/71/02/62/554710262.db2.gz QAGIMRTVJNGESB-SBXHHDGASA-N 0 0 500.551 5.935 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293852 554710331 /nfs/dbraw/zinc/71/03/31/554710331.db2.gz JCSAGJQFPOLGRT-CZNAVJSXSA-N 0 0 526.614 6.113 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294237 554711011 /nfs/dbraw/zinc/71/10/11/554711011.db2.gz MPHZLDYCWXABLD-UJWLLDLUSA-N 0 0 559.043 6.464 50 30 KKEARN CCCCCCCCCCCCOC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000101297762 554712489 /nfs/dbraw/zinc/71/24/89/554712489.db2.gz MZMWVLFZVTZKAW-UHFFFAOYSA-N 0 0 514.735 8.843 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccco2)cc1 ZINC000101304205 554713961 /nfs/dbraw/zinc/71/39/61/554713961.db2.gz WRYAGOKYPGUGFF-WGSHOSEUSA-N 0 0 533.548 5.057 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310272 554717275 /nfs/dbraw/zinc/71/72/75/554717275.db2.gz UAKRJNWZHAOXPN-JDSQIOQSSA-N 0 0 603.096 6.863 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310256 554717293 /nfs/dbraw/zinc/71/72/93/554717293.db2.gz JJASZBMSRDAAFW-LHKMDIPOSA-N 0 0 582.678 6.518 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310282 554717602 /nfs/dbraw/zinc/71/76/02/554717602.db2.gz QXKFCTJBIICVGU-JDSQIOQSSA-N 0 0 586.641 6.349 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310301 554717662 /nfs/dbraw/zinc/71/76/62/554717662.db2.gz UYDCIPAVGVGJBP-VDGASQMCSA-N 0 0 612.704 6.608 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310421 554717935 /nfs/dbraw/zinc/71/79/35/554717935.db2.gz JGKATELTAKIPPK-DFXXOVSGSA-N 0 0 584.650 5.966 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000101313220 554721639 /nfs/dbraw/zinc/72/16/39/554721639.db2.gz JJWNXUCDOBOYGK-DWBUDPMASA-N 0 0 612.682 6.250 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318660 554725986 /nfs/dbraw/zinc/72/59/86/554725986.db2.gz QUHHVEIWASLWJA-HATVSKDLSA-N 0 0 597.627 6.141 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101364792 554743508 /nfs/dbraw/zinc/74/35/08/554743508.db2.gz OUYZNRJUPSDHLL-UHFFFAOYSA-N 0 0 582.682 6.451 50 30 KKEARN C=CCn1c(SCc2ccc(C(F)(F)F)c(F)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101364571 554743545 /nfs/dbraw/zinc/74/35/45/554743545.db2.gz OVJYKMWNFIAJFB-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN C=CCn1c(SCc2cc(F)ccc2C(F)(F)F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367801 554744171 /nfs/dbraw/zinc/74/41/71/554744171.db2.gz FFJXNXWWDIDDOC-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367825 554744175 /nfs/dbraw/zinc/74/41/75/554744175.db2.gz UMJDDFGQCGSRFT-UHFFFAOYSA-N 0 0 559.091 7.318 50 30 KKEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367846 554744179 /nfs/dbraw/zinc/74/41/79/554744179.db2.gz WRSHPZIRHLVLSL-UHFFFAOYSA-N 0 0 542.636 6.804 50 30 KKEARN C=CCn1c(SCc2ccc(F)c(Cl)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367815 554744214 /nfs/dbraw/zinc/74/42/14/554744214.db2.gz RJBNQTUOMUUAMU-UHFFFAOYSA-N 0 0 577.081 7.457 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)COc3ccc(Cl)cc3Cl)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000101381737 554748569 /nfs/dbraw/zinc/74/85/69/554748569.db2.gz XXTVXQPQLTZVNT-UHFFFAOYSA-N 0 0 541.439 5.096 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@H]1c1ccccc1Cl ZINC000101389860 554753810 /nfs/dbraw/zinc/75/38/10/554753810.db2.gz QWVVBGAACYJHFI-DEOSSOPVSA-N 0 0 512.006 5.490 50 30 KKEARN CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000101400596 554760109 /nfs/dbraw/zinc/76/01/09/554760109.db2.gz OBYQGSDIJNSBRN-XPXRSFDGSA-N 0 0 570.675 6.909 50 30 KKEARN CC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000101400497 554760117 /nfs/dbraw/zinc/76/01/17/554760117.db2.gz VJDDDCKVDABRTF-XPXRSFDGSA-N 0 0 570.675 6.909 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000101404657 554761287 /nfs/dbraw/zinc/76/12/87/554761287.db2.gz LISGBRYLMUOFHV-XYGWBWBKSA-N 0 0 545.458 7.082 50 30 KKEARN COc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc(I)c1OCC#N ZINC000101418362 554766716 /nfs/dbraw/zinc/76/67/16/554766716.db2.gz RBWBZMJHRRBWMO-HSZRJFAPSA-N 0 0 581.435 5.015 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000101642692 554814711 /nfs/dbraw/zinc/81/47/11/554814711.db2.gz ZGWJWCBZEVBXQB-XGBAOLAVSA-N 0 0 503.639 6.187 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)c(Br)cc1OCc1ccccc1F ZINC000101645329 554815394 /nfs/dbraw/zinc/81/53/94/554815394.db2.gz UBCTUZWFOVCWEE-HDRCBWJASA-N 0 0 612.521 6.246 50 30 KKEARN N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000101645482 554815400 /nfs/dbraw/zinc/81/54/00/554815400.db2.gz PNEYFEGFSDSXIW-GTWSWNCMSA-N 0 0 588.689 5.676 50 30 KKEARN Cc1ccc2c(c1)s/c(=N\N=C\c1ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)n2Cc1ccccc1 ZINC000101656514 554819485 /nfs/dbraw/zinc/81/94/85/554819485.db2.gz SORRTLFSJWYFCW-PAUNCFSGSA-N 0 0 539.573 6.603 50 30 KKEARN COc1cccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)c1 ZINC000101677365 554828138 /nfs/dbraw/zinc/82/81/38/554828138.db2.gz LSHLDUILRSOYJK-NFFVHWSESA-N 0 0 523.456 5.312 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CC[C@@H](C(C)(C)C)C3)c1 ZINC000101726185 554832728 /nfs/dbraw/zinc/83/27/28/554832728.db2.gz DYYPCDURHRQXDB-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN CC/N=C1\S/C(=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C(=O)N1CC ZINC000101739137 554833911 /nfs/dbraw/zinc/83/39/11/554833911.db2.gz NLJNVVUEUHSXPU-XHOZKXSISA-N 0 0 534.432 5.647 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000101892418 554846461 /nfs/dbraw/zinc/84/64/61/554846461.db2.gz DQIGVLGCWGWGKQ-NJLKOBJSSA-N 0 0 519.711 6.985 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000101893478 554846739 /nfs/dbraw/zinc/84/67/39/554846739.db2.gz FDPXFYCAJSSJTC-ITHCGDQRSA-N 0 0 522.602 6.033 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c(=O)n3ccccc3nc21 ZINC000101911068 554849756 /nfs/dbraw/zinc/84/97/56/554849756.db2.gz NPBJGAYVVOZQCD-UHFFFAOYSA-N 0 0 571.087 6.072 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000101948286 554852922 /nfs/dbraw/zinc/85/29/22/554852922.db2.gz VURRETVICZTKJI-USDTVRPUSA-N 0 0 615.549 5.663 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000102050454 554870723 /nfs/dbraw/zinc/87/07/23/554870723.db2.gz RCFSGGMTMSGXNN-KMRXNPHXSA-N 0 0 553.615 5.678 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc(OC)c1OC ZINC000102051310 554871429 /nfs/dbraw/zinc/87/14/29/554871429.db2.gz UOWDGRGWKVKIKG-ACSYHNTCSA-N 0 0 556.062 6.818 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cc(Br)ccc2O)cc1OC ZINC000102051851 554871484 /nfs/dbraw/zinc/87/14/84/554871484.db2.gz GITFAFDJDMMGTP-ADXZGYQBSA-N 0 0 586.486 6.624 50 30 KKEARN CCN(CC)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000102052620 554871892 /nfs/dbraw/zinc/87/18/92/554871892.db2.gz UEYSCORWUGCLIF-JHOBJCJYSA-N 0 0 564.686 5.987 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2cc4c(cc2[C@H]3c2ccc(Cl)c(Cl)c2)OCO4)cc1OC ZINC000102054438 554872373 /nfs/dbraw/zinc/87/23/73/554872373.db2.gz FBROOFYUKJGYTC-RKOGDMNLSA-N 0 0 524.400 6.698 50 30 KKEARN O=C(Nc1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(Cl)c1Cl ZINC000102057062 554873065 /nfs/dbraw/zinc/87/30/65/554873065.db2.gz MDLVCKFYIFONCY-UHFFFAOYSA-N 0 0 578.070 7.419 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102076521 554874622 /nfs/dbraw/zinc/87/46/22/554874622.db2.gz OBFLSFPLBSAUBE-VAGBDARLSA-N 0 0 504.608 5.518 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102077662 554875361 /nfs/dbraw/zinc/87/53/61/554875361.db2.gz NRLNTZRXBSHLBE-INRWOQBKSA-N 0 0 558.446 5.608 50 30 KKEARN O=C(Nc1ccc(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1)c1ccco1 ZINC000102131527 554885547 /nfs/dbraw/zinc/88/55/47/554885547.db2.gz KJBVFUBIWGJOHD-HMAPJEAMSA-N 0 0 523.567 5.219 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ncccc4c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158730 554890132 /nfs/dbraw/zinc/89/01/32/554890132.db2.gz ULPPOHQPMPHSIO-NPGLLJSBSA-N 0 0 512.616 6.128 50 30 KKEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c(Br)c(Br)c1OCc1ccccc1 ZINC000102162847 554890381 /nfs/dbraw/zinc/89/03/81/554890381.db2.gz UGMOAUPJXPEVLN-DHZHZOJOSA-N 0 0 585.119 8.392 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168833 554890540 /nfs/dbraw/zinc/89/05/40/554890540.db2.gz UKLVMUDCRJDTDT-CJJGVWJISA-N 0 0 561.506 5.481 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168829 554890671 /nfs/dbraw/zinc/89/06/71/554890671.db2.gz UKLVMUDCRJDTDT-CZNAVJSXSA-N 0 0 561.506 5.481 50 30 KKEARN C=C(C)CN(C)C(=O)[C@H](Cc1ccccc1)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2CC ZINC000102237595 554901845 /nfs/dbraw/zinc/90/18/45/554901845.db2.gz UWVTWTSRPVGDCL-IZEXYCQBSA-N 0 0 564.686 5.307 50 30 KKEARN COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000102291228 554907563 /nfs/dbraw/zinc/90/75/63/554907563.db2.gz JKWZYWGARGZSHY-LQKURTRISA-N 0 0 524.982 5.042 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N=NC(C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000102298364 554908026 /nfs/dbraw/zinc/90/80/26/554908026.db2.gz DJOMXIGXCVRNFY-GIBOGKFOSA-N 0 0 522.738 6.741 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N=NCc2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000102298401 554908030 /nfs/dbraw/zinc/90/80/30/554908030.db2.gz NDSRRVVGEFJXDA-SXBRIOAWSA-N 0 0 538.737 6.359 50 30 KKEARN CN/N=C(/C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299899 554908194 /nfs/dbraw/zinc/90/81/94/554908194.db2.gz DIBUZWOMXHYDIE-DVQWSMHJSA-N 0 0 599.685 6.878 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000102335289 554912618 /nfs/dbraw/zinc/91/26/18/554912618.db2.gz BYFAUIUQQWPRQU-NYNMPNIZSA-N 0 0 628.560 6.577 50 30 KKEARN CCCCCCCCCOc1cccc([C@@H](Nc2ccccc2O)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000102399895 554919532 /nfs/dbraw/zinc/91/95/32/554919532.db2.gz ACHHANXRHMKDQY-UMSFTDKQSA-N 0 0 573.670 9.983 50 30 KKEARN CCCCCCCCCCNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)c(F)cc2c1=O ZINC000102407217 554921749 /nfs/dbraw/zinc/92/17/49/554921749.db2.gz RIONMFMVGOFDPC-UHFFFAOYSA-N 0 0 609.186 6.962 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](n2oc(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)C1(C)C ZINC000102414670 554924563 /nfs/dbraw/zinc/92/45/63/554924563.db2.gz IWHYQIZGXAUCEP-JOCHJYFZSA-N 0 0 602.346 7.396 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000102439418 554929181 /nfs/dbraw/zinc/92/91/81/554929181.db2.gz IBLOBTNDDZOBNZ-LQFIONOWSA-N 0 0 585.616 6.104 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000102440312 554929243 /nfs/dbraw/zinc/92/92/43/554929243.db2.gz ZCTCKCYSEVAWMW-QPPCPWFDSA-N 0 0 588.414 5.300 50 30 KKEARN O=C(C1=C2C(O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102448750 554931004 /nfs/dbraw/zinc/93/10/04/554931004.db2.gz DJLAWDXPGNLXQI-POTDNYQPSA-N 0 0 576.958 5.737 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102483542 554937573 /nfs/dbraw/zinc/93/75/73/554937573.db2.gz CMMVEAKSJBEHJH-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102483554 554937594 /nfs/dbraw/zinc/93/75/94/554937594.db2.gz CMMVEAKSJBEHJH-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102485301 554937980 /nfs/dbraw/zinc/93/79/80/554937980.db2.gz PCZQPQFVEMUPLC-ICQXDZJJSA-N 0 0 532.596 5.606 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486871 554938529 /nfs/dbraw/zinc/93/85/29/554938529.db2.gz BDGISKPRXCUTLU-MRJHHRETSA-N 0 0 511.372 5.370 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102489210 554938861 /nfs/dbraw/zinc/93/88/61/554938861.db2.gz CRYIVJMFYWQZGP-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102490456 554939081 /nfs/dbraw/zinc/93/90/81/554939081.db2.gz IVRBAAGCCWSYHN-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102493941 554939951 /nfs/dbraw/zinc/93/99/51/554939951.db2.gz YFMMPSDCJLXJSE-AYWGPLOBSA-N 0 0 516.575 5.339 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)C=Cc1ccccc1 ZINC000102497045 554941062 /nfs/dbraw/zinc/94/10/62/554941062.db2.gz ONEPSVREHUGVOP-NDNCKPOYSA-N 0 0 552.324 5.382 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499900 554942464 /nfs/dbraw/zinc/94/24/64/554942464.db2.gz OODUPCFWYINKJW-ZHHPLPSFSA-N 0 0 504.539 5.387 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102500897 554943101 /nfs/dbraw/zinc/94/31/01/554943101.db2.gz OLVAHGLEMCMMEK-ZORLYMSLSA-N 0 0 578.750 8.506 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102501725 554943360 /nfs/dbraw/zinc/94/33/60/554943360.db2.gz WJKPQBCGTCRNEG-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102505346 554944321 /nfs/dbraw/zinc/94/43/21/554944321.db2.gz JBVNZRYWPOVQNP-WGGXKBPPSA-N 0 0 520.585 5.600 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102508676 554945638 /nfs/dbraw/zinc/94/56/38/554945638.db2.gz LJVZTBNQUKWDMJ-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102521601 554949696 /nfs/dbraw/zinc/94/96/96/554949696.db2.gz GYXMAQUDPLMOLY-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000102521001 554949711 /nfs/dbraw/zinc/94/97/11/554949711.db2.gz MSOGVVWTWPJWCB-QMMFTLRZSA-N 0 0 538.172 9.243 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102521946 554949892 /nfs/dbraw/zinc/94/98/92/554949892.db2.gz HBGXJAWSYCVSOE-RXDXAXPSSA-N 0 0 540.685 7.236 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524414 554951202 /nfs/dbraw/zinc/95/12/02/554951202.db2.gz FYMLMCAZJKFKBA-NPJIAGGLSA-N 0 0 570.623 5.974 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102526892 554952159 /nfs/dbraw/zinc/95/21/59/554952159.db2.gz FDOARFHAVWHUMD-IUKMQXEJSA-N 0 0 535.438 5.953 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102528069 554952839 /nfs/dbraw/zinc/95/28/39/554952839.db2.gz ZDXCHCNXIAKOEM-NPJIAGGLSA-N 0 0 514.603 6.028 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529192 554953102 /nfs/dbraw/zinc/95/31/02/554953102.db2.gz AQADGKGACMKFLG-NXLSWJSLSA-N 0 0 516.619 6.520 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000102530179 554953670 /nfs/dbraw/zinc/95/36/70/554953670.db2.gz BHSIDCXIISPMHL-DFXXOVSGSA-N 0 0 515.606 5.431 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102530400 554953680 /nfs/dbraw/zinc/95/36/80/554953680.db2.gz ZOFDVIFIUIWMMJ-ZZIWUOEGSA-N 0 0 519.022 6.592 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102532899 554954690 /nfs/dbraw/zinc/95/46/90/554954690.db2.gz USKBAAOPQFIFLB-ZZIWUOEGSA-N 0 0 502.567 6.077 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102533304 554954828 /nfs/dbraw/zinc/95/48/28/554954828.db2.gz JDRZLKXUOYTRIY-AHPONGEQSA-N 0 0 628.648 9.066 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541343 554957558 /nfs/dbraw/zinc/95/75/58/554957558.db2.gz QARIVOAGAJVOST-ZHHPLPSFSA-N 0 0 515.547 5.538 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102542029 554957637 /nfs/dbraw/zinc/95/76/37/554957637.db2.gz IVFVOFKUQPBRRD-ZORLYMSLSA-N 0 0 535.744 9.037 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102542556 554957841 /nfs/dbraw/zinc/95/78/41/554957841.db2.gz WJGPUHIIRWHQDX-SBXHHDGASA-N 0 0 516.594 6.368 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102543222 554958103 /nfs/dbraw/zinc/95/81/03/554958103.db2.gz QWLSKZDKAPHNSN-ANBMCXBTSA-N 0 0 575.661 6.262 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102546311 554959380 /nfs/dbraw/zinc/95/93/80/554959380.db2.gz AHXVBZSVSUTKQN-WGGXKBPPSA-N 0 0 576.630 6.795 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102547424 554959998 /nfs/dbraw/zinc/95/99/98/554959998.db2.gz RJKCVNMZHSTGMX-QKJBWNOYSA-N 0 0 556.596 5.097 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102550693 554961694 /nfs/dbraw/zinc/96/16/94/554961694.db2.gz BGVFESSXRRYENF-RFAFYKRUSA-N 0 0 542.613 5.572 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102551076 554961968 /nfs/dbraw/zinc/96/19/68/554961968.db2.gz FDSQAZKSSCLRKZ-NPJIAGGLSA-N 0 0 544.585 5.101 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552243 554962447 /nfs/dbraw/zinc/96/24/47/554962447.db2.gz ZWCLHYBCRLNAIR-ZORLYMSLSA-N 0 0 620.683 6.672 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102551888 554962467 /nfs/dbraw/zinc/96/24/67/554962467.db2.gz LNHZPCFIJGPVSW-DZTJFIFISA-N 0 0 554.668 6.733 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102553860 554963435 /nfs/dbraw/zinc/96/34/35/554963435.db2.gz QNMGGBKRSFNCRR-DZSUXXLQSA-N 0 0 518.616 5.706 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102554993 554963802 /nfs/dbraw/zinc/96/38/02/554963802.db2.gz PLMMJNOPBRXDEX-XTUFCYCQSA-N 0 0 570.667 6.434 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102555434 554964018 /nfs/dbraw/zinc/96/40/18/554964018.db2.gz DWCMJODTUSFBCY-DDLSXHCZSA-N 0 0 574.658 7.347 50 30 KKEARN CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3cc4ccccc4cc31)O2 ZINC000102555550 554964049 /nfs/dbraw/zinc/96/40/49/554964049.db2.gz CZTBWMCKZGQGNS-VQJSHJPSSA-N 0 0 588.880 12.063 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102559712 554967164 /nfs/dbraw/zinc/96/71/64/554967164.db2.gz MVWGCPWRJWCBBB-CJJGVWJISA-N 0 0 526.614 6.126 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560600 554967960 /nfs/dbraw/zinc/96/79/60/554967960.db2.gz ZHRRITAEDLOUBC-ORMNNRERSA-N 0 0 622.674 6.973 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102561067 554968041 /nfs/dbraw/zinc/96/80/41/554968041.db2.gz BNMMBKYWTOHHDV-JUQULXIISA-N 0 0 586.666 5.889 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102563541 554969131 /nfs/dbraw/zinc/96/91/31/554969131.db2.gz YXEUHKLEMZFMIR-CJJGVWJISA-N 0 0 558.612 5.410 50 30 KKEARN COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564579 554969505 /nfs/dbraw/zinc/96/95/05/554969505.db2.gz PJNJRJMWNLPGHS-GBIFRDBCSA-N 0 0 619.139 7.333 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000102573056 554971214 /nfs/dbraw/zinc/97/12/14/554971214.db2.gz SSFBZCKGYRYUKV-AHPONGEQSA-N 0 0 533.753 8.598 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102588997 554973841 /nfs/dbraw/zinc/97/38/41/554973841.db2.gz MJECKADPLYITDS-GOBYDPEUSA-N 0 0 504.608 5.662 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606098 554978697 /nfs/dbraw/zinc/97/86/97/554978697.db2.gz USXVVIXRXQXFSV-LMKMVOKYSA-N 0 0 549.649 5.530 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606144 554979064 /nfs/dbraw/zinc/97/90/64/554979064.db2.gz LXCINZNOEVGMHD-MRDQGFSESA-N 0 0 563.676 5.921 50 30 KKEARN CC[C@@H](C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1)c1ccccc1 ZINC000102611826 554981670 /nfs/dbraw/zinc/98/16/70/554981670.db2.gz LCFQZBLVWLLNDB-SSEXGKCCSA-N 0 0 547.655 5.595 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)cc2=O)cc1 ZINC000102611755 554981700 /nfs/dbraw/zinc/98/17/00/554981700.db2.gz URIRECVPVUHAJL-UHFFFAOYSA-N 0 0 580.493 6.084 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4ccc(F)c(C(F)(F)F)c4)CC3)cc2=O)cc1 ZINC000102611984 554981735 /nfs/dbraw/zinc/98/17/35/554981735.db2.gz YWVKRZDMQVZIPY-UHFFFAOYSA-N 0 0 591.561 5.873 50 30 KKEARN CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000102629780 554989120 /nfs/dbraw/zinc/98/91/20/554989120.db2.gz JANFEGIUMUNSPB-UHFFFAOYSA-N 0 0 583.596 7.881 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102643852 554991261 /nfs/dbraw/zinc/99/12/61/554991261.db2.gz KWOQPAOUNJQGLP-VXJPNWOUSA-N 0 0 527.617 5.819 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102645732 554992232 /nfs/dbraw/zinc/99/22/32/554992232.db2.gz WLTIEMZVMXNQBY-ICQXDZJJSA-N 0 0 541.644 6.210 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102649709 554995013 /nfs/dbraw/zinc/99/50/13/554995013.db2.gz KAVDMLRTYUTWSR-OHIHJGSSSA-N 0 0 592.733 5.122 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651016 554995882 /nfs/dbraw/zinc/99/58/82/554995882.db2.gz PJNOVRZOJRHLLL-ONQGDUAMSA-N 0 0 614.676 5.856 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651346 554995974 /nfs/dbraw/zinc/99/59/74/554995974.db2.gz OHLUARWFYYYBDU-CGKJMNDRSA-N 0 0 556.596 5.041 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102651914 554996134 /nfs/dbraw/zinc/99/61/34/554996134.db2.gz BTXSXCSASFVQMM-JRPVAJNPSA-N 0 0 528.586 5.350 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651455 554996205 /nfs/dbraw/zinc/99/62/05/554996205.db2.gz ISIDYMRBXQAAAD-TXTDGAROSA-N 0 0 602.665 5.890 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102652017 554996457 /nfs/dbraw/zinc/99/64/57/554996457.db2.gz BGVFESSXRRYENF-SSELITHESA-N 0 0 542.613 5.572 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102652209 554996511 /nfs/dbraw/zinc/99/65/11/554996511.db2.gz GHDQPNUKBRKSTN-VTVSLZSGSA-N 0 0 559.663 5.152 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102652233 554996542 /nfs/dbraw/zinc/99/65/42/554996542.db2.gz GBZCFLCEYJTHQB-SSELITHESA-N 0 0 526.614 5.817 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102652919 554996953 /nfs/dbraw/zinc/99/69/53/554996953.db2.gz GDEFPYYRNZMRIY-XXASTYAFSA-N 0 0 554.668 6.608 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102653288 554997159 /nfs/dbraw/zinc/99/71/59/554997159.db2.gz MFIOCYLUGPBFDX-VDGASQMCSA-N 0 0 614.720 6.832 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102653625 554997176 /nfs/dbraw/zinc/99/71/76/554997176.db2.gz MGJDGFUTNMBWDF-ZZIWUOEGSA-N 0 0 514.559 5.016 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102653278 554997202 /nfs/dbraw/zinc/99/72/02/554997202.db2.gz UVZJCMZPIMCJNB-BBHOXHGRSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653940 554997506 /nfs/dbraw/zinc/99/75/06/554997506.db2.gz BSCJSQIBGKIKJB-LQRKZSIOSA-N 0 0 588.657 6.573 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102655474 554998401 /nfs/dbraw/zinc/99/84/01/554998401.db2.gz BXQHQUBNEOHPCP-YJMWBXFMSA-N 0 0 535.600 5.511 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102656169 554999102 /nfs/dbraw/zinc/99/91/02/554999102.db2.gz HAHPEXHKRBPKDI-SMOAUKQDSA-N 0 0 628.747 7.222 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657900 554999581 /nfs/dbraw/zinc/99/95/81/554999581.db2.gz AVHYVSJRHSXRKN-BGLRTBKGSA-N 0 0 574.630 6.183 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663316 555001238 /nfs/dbraw/zinc/00/12/38/555001238.db2.gz KAPDSUHUCHCXDB-AMKIGSDESA-N 0 0 539.613 5.375 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102671879 555002653 /nfs/dbraw/zinc/00/26/53/555002653.db2.gz FQDRLVDWJCSRNM-CJJGVWJISA-N 0 0 542.613 5.826 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCCCC)cc4)=NN32)cc1 ZINC000102687227 555007193 /nfs/dbraw/zinc/00/71/93/555007193.db2.gz MKJGTXYHRWDRIY-CWTKIQHKSA-N 0 0 526.721 8.847 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCC)cc2)cc1 ZINC000102688315 555007237 /nfs/dbraw/zinc/00/72/37/555007237.db2.gz IEBSEIUXVBQVBO-DGPALRBDSA-N 0 0 547.493 7.825 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102689454 555007677 /nfs/dbraw/zinc/00/76/77/555007677.db2.gz QORCTSBGWYPVNN-MIOXIQPJSA-N 0 0 575.662 5.134 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102689799 555007687 /nfs/dbraw/zinc/00/76/87/555007687.db2.gz HINTWEKXFNTSDE-ZORLYMSLSA-N 0 0 549.752 8.304 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102691260 555008206 /nfs/dbraw/zinc/00/82/06/555008206.db2.gz HHAKNLLNHXEEFC-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000102690845 555008317 /nfs/dbraw/zinc/00/83/17/555008317.db2.gz GZCAMEKHRWRESK-ONQGDUAMSA-N 0 0 511.578 5.184 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102694123 555009546 /nfs/dbraw/zinc/00/95/46/555009546.db2.gz BCTWYBKXENCARJ-COUQNMRISA-N 0 0 515.547 5.456 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102694901 555010127 /nfs/dbraw/zinc/01/01/27/555010127.db2.gz GDLVRPWBXQBPCI-SBXHHDGASA-N 0 0 500.576 5.557 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102697608 555011828 /nfs/dbraw/zinc/01/18/28/555011828.db2.gz JNFDJRFYOBZYPN-WGGXKBPPSA-N 0 0 507.586 6.351 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000102697766 555012143 /nfs/dbraw/zinc/01/21/43/555012143.db2.gz XMQXEXSBEUKPJJ-TXTDGAROSA-N 0 0 531.605 5.137 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102699146 555012425 /nfs/dbraw/zinc/01/24/25/555012425.db2.gz MVKIGOXRTJSYLC-QMMFTLRZSA-N 0 0 533.628 5.657 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1C ZINC000102703830 555013724 /nfs/dbraw/zinc/01/37/24/555013724.db2.gz PEGWPKVDVWBSOC-NXLSWJSLSA-N 0 0 500.576 5.557 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102704547 555013899 /nfs/dbraw/zinc/01/38/99/555013899.db2.gz TWSHKLDIFUBZGK-NPJIAGGLSA-N 0 0 512.631 6.537 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102706140 555014544 /nfs/dbraw/zinc/01/45/44/555014544.db2.gz KKOHCGAXQOCPFV-DHJMZRGKSA-N 0 0 528.630 6.337 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705916 555014682 /nfs/dbraw/zinc/01/46/82/555014682.db2.gz PTIWNDBRCYGKPT-JBCNATCCSA-N 0 0 506.605 5.564 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102706472 555015061 /nfs/dbraw/zinc/01/50/61/555015061.db2.gz AFQHFMXQWASFCF-BUANBSPESA-N 0 0 515.547 5.456 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102707229 555015407 /nfs/dbraw/zinc/01/54/07/555015407.db2.gz RQIKTIDMWOWPJX-TXTDGAROSA-N 0 0 509.558 5.798 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102707325 555015411 /nfs/dbraw/zinc/01/54/11/555015411.db2.gz RNWMYOKCXWWUTI-QMMFTLRZSA-N 0 0 518.613 6.153 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102709146 555016162 /nfs/dbraw/zinc/01/61/62/555016162.db2.gz TVSAYPXTZGWGEC-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000102711781 555016947 /nfs/dbraw/zinc/01/69/47/555016947.db2.gz MNMOJTDJJDCDGK-ONQGDUAMSA-N 0 0 501.579 5.041 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712474 555016953 /nfs/dbraw/zinc/01/69/53/555016953.db2.gz UGIYHJJUTUSNAH-SBXHHDGASA-N 0 0 535.021 6.156 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000102711784 555017036 /nfs/dbraw/zinc/01/70/36/555017036.db2.gz MNMOJTDJJDCDGK-UUALVTFQSA-N 0 0 501.579 5.041 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102713517 555017609 /nfs/dbraw/zinc/01/76/09/555017609.db2.gz BBOYNHWVIAFSOD-CJJGVWJISA-N 0 0 512.631 6.617 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102713117 555017647 /nfs/dbraw/zinc/01/76/47/555017647.db2.gz GMCLIHAILHEBPS-MIOXIQPJSA-N 0 0 522.601 5.855 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)c1 ZINC000102715008 555018221 /nfs/dbraw/zinc/01/82/21/555018221.db2.gz XIIJHCVBRXNMHK-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714680 555018301 /nfs/dbraw/zinc/01/83/01/555018301.db2.gz BJWHODQGDKLQJI-UUALVTFQSA-N 0 0 542.657 6.673 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716618 555018960 /nfs/dbraw/zinc/01/89/60/555018960.db2.gz FYPDQXKAIRRFSC-IUKMQXEJSA-N 0 0 514.603 5.892 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102717787 555019317 /nfs/dbraw/zinc/01/93/17/555019317.db2.gz LUFYCUVMUWGTMX-CJJGVWJISA-N 0 0 528.630 6.282 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102717139 555019357 /nfs/dbraw/zinc/01/93/57/555019357.db2.gz HGOUBVNYVWNKEL-WGGXKBPPSA-N 0 0 536.584 5.305 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1)c1ccccc1 ZINC000102725514 555021307 /nfs/dbraw/zinc/02/13/07/555021307.db2.gz XUMQMZNFBZBLRI-SQHAQQRYSA-N 0 0 634.733 5.583 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102729243 555023068 /nfs/dbraw/zinc/02/30/68/555023068.db2.gz XVNDFDZDMHWDTH-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@@H]2c1cccc(Br)c1 ZINC000102729625 555023268 /nfs/dbraw/zinc/02/32/68/555023268.db2.gz PZFUMDQZVSIXIG-KAYWLYCHSA-N 0 0 529.434 6.935 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102729595 555023323 /nfs/dbraw/zinc/02/33/23/555023323.db2.gz CNEWTBKKDQSXID-ZHHPLPSFSA-N 0 0 504.633 6.335 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102731179 555023780 /nfs/dbraw/zinc/02/37/80/555023780.db2.gz RFZCYXWEBPUVJR-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102732587 555024115 /nfs/dbraw/zinc/02/41/15/555024115.db2.gz ZJQPNKPYLOYLSU-MIOXIQPJSA-N 0 0 527.661 6.330 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102732640 555024139 /nfs/dbraw/zinc/02/41/39/555024139.db2.gz ZFWYMDAVBKPKCH-NPJIAGGLSA-N 0 0 531.077 7.436 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102733198 555024338 /nfs/dbraw/zinc/02/43/38/555024338.db2.gz LKBSHUNZOKRQMT-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102734519 555024551 /nfs/dbraw/zinc/02/45/51/555024551.db2.gz DRBJGZSBPVAZOA-CZNAVJSXSA-N 0 0 512.631 6.671 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735208 555024922 /nfs/dbraw/zinc/02/49/22/555024922.db2.gz RSPJHUBADATCRH-VIDUVWHZSA-N 0 0 545.635 6.253 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735302 555025326 /nfs/dbraw/zinc/02/53/26/555025326.db2.gz XESKBVLAHZYSNK-FFMCZVIESA-N 0 0 531.608 6.211 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735299 555025340 /nfs/dbraw/zinc/02/53/40/555025340.db2.gz XESKBVLAHZYSNK-QZDFLZESSA-N 0 0 531.608 6.211 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102735463 555025413 /nfs/dbraw/zinc/02/54/13/555025413.db2.gz FTGKOZRCPWOVIG-ONQGDUAMSA-N 0 0 513.977 6.442 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735450 555025417 /nfs/dbraw/zinc/02/54/17/555025417.db2.gz FRAWSLHRNZFFGO-AIKCTZLLSA-N 0 0 516.619 5.727 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735484 555025510 /nfs/dbraw/zinc/02/55/10/555025510.db2.gz PQDRAEMNTKPHRV-YZUJGMDRSA-N 0 0 609.103 7.478 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735494 555025612 /nfs/dbraw/zinc/02/56/12/555025612.db2.gz CEJVYLZAOQIIFB-NXLSVDECSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736991 555026488 /nfs/dbraw/zinc/02/64/88/555026488.db2.gz GODSRMBHFPUGCQ-FECHNCLXSA-N 0 0 518.978 5.605 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@@H](C(=O)OCC)C3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102742746 555032610 /nfs/dbraw/zinc/03/26/10/555032610.db2.gz JOFJTIZXXWRMCJ-YIXXDRMTSA-N 0 0 551.709 5.306 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746530 555039060 /nfs/dbraw/zinc/03/90/60/555039060.db2.gz PYSQJCDHJMMKCI-UHSQPCAPSA-N 0 0 559.688 5.255 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3ccc(F)cc3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102749433 555043728 /nfs/dbraw/zinc/04/37/28/555043728.db2.gz BGAYBAAOOABKTM-RUZDIDTESA-N 0 0 523.586 5.176 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000102754462 555046279 /nfs/dbraw/zinc/04/62/79/555046279.db2.gz CKCKXGKEBXCUAZ-UHFFFAOYSA-N 0 0 577.754 5.716 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770787 555058106 /nfs/dbraw/zinc/05/81/06/555058106.db2.gz VWGJZVDOQGCMJA-WBMUNJTESA-N 0 0 508.401 5.981 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770993 555059041 /nfs/dbraw/zinc/05/90/41/555059041.db2.gz TVEJMXCEMCTENZ-NSOCNUKWSA-N 0 0 601.725 7.043 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770965 555059072 /nfs/dbraw/zinc/05/90/72/555059072.db2.gz FWFREGLYWZXMRU-NSOCNUKWSA-N 0 0 618.180 7.557 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770985 555059096 /nfs/dbraw/zinc/05/90/96/555059096.db2.gz RXJGTPYEQMADRS-NSOCNUKWSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771051 555059387 /nfs/dbraw/zinc/05/93/87/555059387.db2.gz MBJZNLIDCLIYCQ-BBHOXHGRSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771119 555059683 /nfs/dbraw/zinc/05/96/83/555059683.db2.gz IGSAGWVPIMZPNS-KWBQTAPJSA-N 0 0 514.578 6.002 50 30 KKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102785007 555067420 /nfs/dbraw/zinc/06/74/20/555067420.db2.gz ZCMAJAVBRDCUQE-BLPFIKBVSA-N 0 0 566.749 8.881 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc4ccccc4c3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812602 555075275 /nfs/dbraw/zinc/07/52/75/555075275.db2.gz KARLEGFPSRDHMP-UHFFFAOYSA-N 0 0 572.690 7.464 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102856754 555087973 /nfs/dbraw/zinc/08/79/73/555087973.db2.gz MCJKGDYVWPLUEZ-COUQNMRISA-N 0 0 504.995 6.201 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102856888 555088334 /nfs/dbraw/zinc/08/83/34/555088334.db2.gz OVHMBNTWJUZOIV-NXLSWJSLSA-N 0 0 530.602 5.647 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C#N)cc1 ZINC000102857687 555088834 /nfs/dbraw/zinc/08/88/34/555088834.db2.gz HAVLFYOPVNKRDV-BNHRFMORSA-N 0 0 507.609 7.828 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102857732 555088854 /nfs/dbraw/zinc/08/88/54/555088854.db2.gz AULHMKWAYYUZSM-VXJPNWOUSA-N 0 0 543.616 5.056 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102857412 555088870 /nfs/dbraw/zinc/08/88/70/555088870.db2.gz FYTXPZJUMOYDFS-IUKMQXEJSA-N 0 0 576.627 5.356 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102859248 555089795 /nfs/dbraw/zinc/08/97/95/555089795.db2.gz YSGAQSHBVFVYGW-MFWFGDGVSA-N 0 0 589.688 6.652 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102861062 555091340 /nfs/dbraw/zinc/09/13/40/555091340.db2.gz AMNFSNAOCTYPLR-ZLYDLHQSSA-N 0 0 501.579 5.794 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864136 555093924 /nfs/dbraw/zinc/09/39/24/555093924.db2.gz RYXFTQPWDLOPIF-NPJIAGGLSA-N 0 0 570.623 5.974 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102864459 555094203 /nfs/dbraw/zinc/09/42/03/555094203.db2.gz DUOFRRLJEVBJBO-ZZIWUOEGSA-N 0 0 563.473 6.701 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102866944 555096319 /nfs/dbraw/zinc/09/63/19/555096319.db2.gz LUXUDNRKJOQGEZ-MIOXIQPJSA-N 0 0 520.585 5.600 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867235 555096623 /nfs/dbraw/zinc/09/66/23/555096623.db2.gz KXUKOWRWRPGNAR-LLAWDOGUSA-N 0 0 556.640 6.043 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102867557 555096995 /nfs/dbraw/zinc/09/69/95/555096995.db2.gz DIKMFJNLYNZYGU-TXTDGAROSA-N 0 0 513.590 5.301 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867957 555097408 /nfs/dbraw/zinc/09/74/08/555097408.db2.gz FQJIQSAXMSOJLR-WGQAXHKASA-N 0 0 533.005 5.908 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000102868956 555098198 /nfs/dbraw/zinc/09/81/98/555098198.db2.gz SVQSEUZMTQGZSR-CJJGVWJISA-N 0 0 538.625 6.168 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869017 555098205 /nfs/dbraw/zinc/09/82/05/555098205.db2.gz VUGMDOQBIHBHKQ-FPRSLYQBSA-N 0 0 570.667 6.434 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869290 555098847 /nfs/dbraw/zinc/09/88/47/555098847.db2.gz XRVNUZRLASPJSR-YMOXJMBTSA-N 0 0 524.642 6.425 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102869840 555099566 /nfs/dbraw/zinc/09/95/66/555099566.db2.gz YDGOORKFIPSNLR-QMMFTLRZSA-N 0 0 550.611 5.695 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102869990 555099798 /nfs/dbraw/zinc/09/97/98/555099798.db2.gz UVMKHUYRQJGVOS-AFSDHNFUSA-N 0 0 604.684 6.890 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870044 555100083 /nfs/dbraw/zinc/10/00/83/555100083.db2.gz DINGZXPGZDTWAZ-OGHRCCBNSA-N 0 0 540.597 5.341 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870691 555100937 /nfs/dbraw/zinc/10/09/37/555100937.db2.gz YEOGAGWOQUCRTC-QBCYBHDASA-N 0 0 568.695 7.123 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102872817 555103494 /nfs/dbraw/zinc/10/34/94/555103494.db2.gz DGFNFDNWWLJHGS-ZCCBWQDPSA-N 0 0 569.698 6.498 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102872815 555103512 /nfs/dbraw/zinc/10/35/12/555103512.db2.gz DGFNFDNWWLJHGS-ZAOVDLIJSA-N 0 0 569.698 6.498 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000102874118 555104397 /nfs/dbraw/zinc/10/43/97/555104397.db2.gz ZOISXTQBGQWXPS-AHPONGEQSA-N 0 0 517.754 8.898 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874814 555104806 /nfs/dbraw/zinc/10/48/06/555104806.db2.gz BZCRFEHPOSDKTJ-HOGKFDNTSA-N 0 0 535.419 6.002 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102876784 555106588 /nfs/dbraw/zinc/10/65/88/555106588.db2.gz CUYXTFNSLFHMGL-NXLSWJSLSA-N 0 0 500.576 5.720 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102876951 555106726 /nfs/dbraw/zinc/10/67/26/555106726.db2.gz VCWZVLRDNOZCDF-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102877477 555106891 /nfs/dbraw/zinc/10/68/91/555106891.db2.gz WGMBQHBFLJNBNP-OBVHCKHUSA-N 0 0 506.605 5.618 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102877984 555107208 /nfs/dbraw/zinc/10/72/08/555107208.db2.gz KGWADFOADUCTSV-CJJGVWJISA-N 0 0 550.449 5.795 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102877982 555107275 /nfs/dbraw/zinc/10/72/75/555107275.db2.gz KGWADFOADUCTSV-CZNAVJSXSA-N 0 0 550.449 5.795 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882332 555110797 /nfs/dbraw/zinc/11/07/97/555110797.db2.gz BEKDGCSYYPRSCE-HFEWCJDKSA-N 0 0 509.414 6.846 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102882848 555111134 /nfs/dbraw/zinc/11/11/34/555111134.db2.gz LBULNIIRFPJULS-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN CCCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102883684 555112307 /nfs/dbraw/zinc/11/23/07/555112307.db2.gz ZZDSAKVLLFPQPB-HSZRJFAPSA-N 0 0 590.379 8.931 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102883964 555112637 /nfs/dbraw/zinc/11/26/37/555112637.db2.gz MHVXHOIJVWPATE-NPJIAGGLSA-N 0 0 530.602 5.647 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102884397 555113179 /nfs/dbraw/zinc/11/31/79/555113179.db2.gz OTXXBHSWGZPQHC-IQKFOVTFSA-N 0 0 600.693 6.498 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884509 555113431 /nfs/dbraw/zinc/11/34/31/555113431.db2.gz YIKQTLLLXBSNNU-WGGXKBPPSA-N 0 0 600.693 6.662 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884614 555113850 /nfs/dbraw/zinc/11/38/50/555113850.db2.gz YFWOYGQNZBQIRY-FWOIGAHVSA-N 0 0 563.031 5.917 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884699 555114170 /nfs/dbraw/zinc/11/41/70/555114170.db2.gz RVAABEGGFIOPMS-IIHDFJPDSA-N 0 0 576.671 5.757 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102884804 555114539 /nfs/dbraw/zinc/11/45/39/555114539.db2.gz JXRXVLGONFDOBD-RJIUIVJKSA-N 0 0 577.806 8.915 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884800 555114554 /nfs/dbraw/zinc/11/45/54/555114554.db2.gz RVRONKCYPLHIOQ-QBTYMPIYSA-N 0 0 556.640 5.962 50 30 KKEARN C[C@H](Oc1ccccc1)C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000102885772 555116066 /nfs/dbraw/zinc/11/60/66/555116066.db2.gz XAAHMJFNHFNGNH-XYFQYJLHSA-N 0 0 538.692 5.028 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886640 555117288 /nfs/dbraw/zinc/11/72/88/555117288.db2.gz BYFNZARDCCOXRA-UJWLLDLUSA-N 0 0 542.613 5.653 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102886898 555117788 /nfs/dbraw/zinc/11/77/88/555117788.db2.gz UPIGAUWMFGGVSC-AHPONGEQSA-N 0 0 571.670 6.090 50 30 KKEARN CCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCCC)c3c(C)cccc3n2)nc2ccc(C)cc21 ZINC000102887028 555117793 /nfs/dbraw/zinc/11/77/93/555117793.db2.gz TUOMZUYZCWBDSA-UHFFFAOYSA-N 0 0 568.758 9.321 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887159 555118420 /nfs/dbraw/zinc/11/84/20/555118420.db2.gz IHNBFGHVAILJJJ-BGLRTBKGSA-N 0 0 602.665 5.671 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887565 555119512 /nfs/dbraw/zinc/11/95/12/555119512.db2.gz BCISEXAPTLXODK-LOTNQUKISA-N 0 0 628.747 7.078 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102887827 555120102 /nfs/dbraw/zinc/12/01/02/555120102.db2.gz KMRDKHVYUPLKNA-YFVVEFNMSA-N 0 0 537.653 5.436 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887753 555120164 /nfs/dbraw/zinc/12/01/64/555120164.db2.gz BOLUSANVDUIYRP-VMFRQMAUSA-N 0 0 632.735 6.322 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888179 555120782 /nfs/dbraw/zinc/12/07/82/555120782.db2.gz LUCRLSAIIVDYBP-QMNXYOJKSA-N 0 0 598.721 7.214 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102888232 555121108 /nfs/dbraw/zinc/12/11/08/555121108.db2.gz FTRYHJRPKQUPAD-DFXXOVSGSA-N 0 0 586.666 6.190 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888738 555122199 /nfs/dbraw/zinc/12/21/99/555122199.db2.gz YRQQHAVJLJHLBP-QNIVJUIWSA-N 0 0 546.645 5.783 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102888906 555122498 /nfs/dbraw/zinc/12/24/98/555122498.db2.gz JOIOPYPBZDMKRD-AHPONGEQSA-N 0 0 562.751 8.806 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889939 555124782 /nfs/dbraw/zinc/12/47/82/555124782.db2.gz UWCZCKDWXQRFAB-WRMLLFLMSA-N 0 0 568.695 7.042 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102890699 555125913 /nfs/dbraw/zinc/12/59/13/555125913.db2.gz JZKUSLNVGIFXFX-QMMFTLRZSA-N 0 0 533.628 5.657 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102891125 555126831 /nfs/dbraw/zinc/12/68/31/555126831.db2.gz MUGQYZSPADBXIW-MIOXIQPJSA-N 0 0 534.568 5.054 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891089 555126920 /nfs/dbraw/zinc/12/69/20/555126920.db2.gz AIVIMROTDBANQX-XTUFCYCQSA-N 0 0 554.668 6.768 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102892298 555128395 /nfs/dbraw/zinc/12/83/95/555128395.db2.gz KDUYQVHBPUCGQU-VEZPTTSMSA-N 0 0 557.643 5.556 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1cccc2ccccc21)[C@@H](O)c1ccccc1 ZINC000102892545 555128767 /nfs/dbraw/zinc/12/87/67/555128767.db2.gz YTELUSVWOMNINN-ACHIHNKUSA-N 0 0 567.792 7.465 50 30 KKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(Oc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)N2 ZINC000102892769 555129339 /nfs/dbraw/zinc/12/93/39/555129339.db2.gz JLRCHDRUPUWRDC-MHZLTWQESA-N 0 0 539.060 7.801 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893201 555130231 /nfs/dbraw/zinc/13/02/31/555130231.db2.gz POTISKLPGDLMIO-VDGASQMCSA-N 0 0 624.715 6.582 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893378 555130811 /nfs/dbraw/zinc/13/08/11/555130811.db2.gz AKTJLYXQLCEYGW-XCSSDTEYSA-N 0 0 588.682 5.923 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102893352 555130826 /nfs/dbraw/zinc/13/08/26/555130826.db2.gz KDZFHYFJGVVDAV-DNNDWWBDSA-N 0 0 542.632 5.605 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102893572 555131036 /nfs/dbraw/zinc/13/10/36/555131036.db2.gz AKMWKOGKGLHIMO-BBHOXHGRSA-N 0 0 550.405 5.109 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893897 555131582 /nfs/dbraw/zinc/13/15/82/555131582.db2.gz GPZUMBYBKUHHCP-NPJIAGGLSA-N 0 0 544.585 5.101 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893992 555131987 /nfs/dbraw/zinc/13/19/87/555131987.db2.gz KKPWALZUXYAKGA-IUKMQXEJSA-N 0 0 560.628 5.519 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102894259 555132229 /nfs/dbraw/zinc/13/22/29/555132229.db2.gz JREQFQJRWVZUGC-ONQGDUAMSA-N 0 0 570.667 6.390 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894933 555133224 /nfs/dbraw/zinc/13/32/24/555133224.db2.gz HAKRXRLBKBWRLF-QMNXYOJKSA-N 0 0 598.721 6.988 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894927 555133260 /nfs/dbraw/zinc/13/32/60/555133260.db2.gz HAKRXRLBKBWRLF-DDLSXHCZSA-N 0 0 598.721 6.988 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895050 555133484 /nfs/dbraw/zinc/13/34/84/555133484.db2.gz CQPSKRMPVMJZKL-CWMDRHISSA-N 0 0 572.639 5.662 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895575 555134740 /nfs/dbraw/zinc/13/47/40/555134740.db2.gz HCJFTVHQOUHVGT-QMMFTLRZSA-N 0 0 614.720 6.970 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895645 555134975 /nfs/dbraw/zinc/13/49/75/555134975.db2.gz LMQXEFVJGNISHN-HWTUVFLMSA-N 0 0 584.694 6.824 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102896253 555136018 /nfs/dbraw/zinc/13/60/18/555136018.db2.gz CWCUOJZEFVEMSI-VEZPTTSMSA-N 0 0 557.643 6.047 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102896256 555136047 /nfs/dbraw/zinc/13/60/47/555136047.db2.gz CWCUOJZEFVEMSI-QMMFTLRZSA-N 0 0 557.643 6.047 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102898177 555138208 /nfs/dbraw/zinc/13/82/08/555138208.db2.gz PXVOAOIZUIXCAX-AHPONGEQSA-N 0 0 547.607 5.701 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898099 555138280 /nfs/dbraw/zinc/13/82/80/555138280.db2.gz RYSHPFHGJJEEDV-LOOKCOSASA-N 0 0 568.651 6.071 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102899336 555139122 /nfs/dbraw/zinc/13/91/22/555139122.db2.gz YPBOISFCJDBTFU-UTDZTPKCSA-N 0 0 590.657 7.103 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899735 555139302 /nfs/dbraw/zinc/13/93/02/555139302.db2.gz MONFEMFFBKCPMI-SMOAUKQDSA-N 0 0 628.747 7.222 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899737 555139313 /nfs/dbraw/zinc/13/93/13/555139313.db2.gz BNINGGZXPYQADM-XXAHXYPMSA-N 0 0 628.747 7.078 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102899745 555139330 /nfs/dbraw/zinc/13/93/30/555139330.db2.gz QPRLDBQZBPKYTG-DFXXOVSGSA-N 0 0 596.705 6.704 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102899747 555139422 /nfs/dbraw/zinc/13/94/22/555139422.db2.gz QPRLDBQZBPKYTG-TXTDGAROSA-N 0 0 596.705 6.704 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102922827 555147597 /nfs/dbraw/zinc/14/75/97/555147597.db2.gz QKMGIIFVJPEXFK-LJAQVGFWSA-N 0 0 581.625 5.439 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102924926 555149158 /nfs/dbraw/zinc/14/91/58/555149158.db2.gz XQNVYLGUDWTZJM-KFLIVHAJSA-N 0 0 598.224 9.260 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102925824 555150144 /nfs/dbraw/zinc/15/01/44/555150144.db2.gz RCUKABCHTKFLLA-MOBKVPTQSA-N 0 0 520.607 5.305 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102926399 555150930 /nfs/dbraw/zinc/15/09/30/555150930.db2.gz VTPHNJYCGQNYBW-SZYGQJGOSA-N 0 0 625.692 9.418 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102927562 555152193 /nfs/dbraw/zinc/15/21/93/555152193.db2.gz HNTHMYASZPOISF-GYBOJBDRSA-N 0 0 555.671 6.252 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102928270 555153470 /nfs/dbraw/zinc/15/34/70/555153470.db2.gz UCXHVGBFWUMFAY-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102928580 555154200 /nfs/dbraw/zinc/15/42/00/555154200.db2.gz WAPPVURPGKXBEW-SBXHHDGASA-N 0 0 518.566 5.777 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102929211 555154758 /nfs/dbraw/zinc/15/47/58/555154758.db2.gz GMMNVDCJNHGXFT-CZNAVJSXSA-N 0 0 526.658 6.927 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102929212 555154797 /nfs/dbraw/zinc/15/47/97/555154797.db2.gz GMMNVDCJNHGXFT-CJJGVWJISA-N 0 0 526.658 6.927 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000102930050 555156454 /nfs/dbraw/zinc/15/64/54/555156454.db2.gz JWUOYXGDHAIWGE-IUKMQXEJSA-N 0 0 501.539 5.099 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102930180 555156465 /nfs/dbraw/zinc/15/64/65/555156465.db2.gz IXGGMNSINWRXPR-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102930441 555156954 /nfs/dbraw/zinc/15/69/54/555156954.db2.gz CZJCBHFJCKQIBH-HUVRIODYSA-N 0 0 575.661 6.610 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102932534 555160236 /nfs/dbraw/zinc/16/02/36/555160236.db2.gz GLFWUFNYJVZHKE-WJOKGBTCSA-N 0 0 598.725 5.662 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102934861 555161976 /nfs/dbraw/zinc/16/19/76/555161976.db2.gz FZNVOHGNCYAYDM-KFLIVHAJSA-N 0 0 582.741 6.016 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102934904 555162239 /nfs/dbraw/zinc/16/22/39/555162239.db2.gz FAGMWUHKXRGLDI-RVKWYQKSSA-N 0 0 576.649 6.005 50 30 KKEARN COC(=O)c1ccc(COc2ccc([C@@H]3c4c(C)nn(-c5nc6ccccc6s5)c4NC4=C3C(=O)CCC4)cc2)cc1 ZINC000102935348 555162808 /nfs/dbraw/zinc/16/28/08/555162808.db2.gz OMKRIRIVGJAQDL-GDLZYMKVSA-N 0 0 576.678 6.721 50 30 KKEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc(CSc4nc5ccccc5s4)cc3)n2-c2ccccc2)c1 ZINC000102935547 555162899 /nfs/dbraw/zinc/16/28/99/555162899.db2.gz BBVQJCDKSAEUBF-UHFFFAOYSA-N 0 0 590.759 7.439 50 30 KKEARN CCCC(NCCCCCCNC(CCC)=C1C(=O)CC(C)(C)CC1=O)=C1C(=O)CC(C)(C)CC1=O ZINC000102936826 555164670 /nfs/dbraw/zinc/16/46/70/555164670.db2.gz QJTDDCZPYQDLEK-UHFFFAOYSA-N 0 0 500.724 5.751 50 30 KKEARN COc1ccc(C=C2C(=O)C(Nc3ccc(Br)cc3)=C[C@H]2Nc2ccc(Br)cc2)cc1OC ZINC000102939099 555167798 /nfs/dbraw/zinc/16/77/98/555167798.db2.gz XHFSNQXTKJUEGY-WCCCRJGXSA-N 0 0 570.281 6.672 50 30 KKEARN O=C1C(Cl)=C(Cl)C(=N/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)C(Cl)=C1Cl ZINC000102939070 555167846 /nfs/dbraw/zinc/16/78/46/555167846.db2.gz KEKBTWXEGJFOPQ-XHPQRKPJSA-N 0 0 567.075 5.987 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940311 555168843 /nfs/dbraw/zinc/16/88/43/555168843.db2.gz DZYANTAEYSALDL-DIPNUNPCSA-N 0 0 560.401 5.895 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940359 555168948 /nfs/dbraw/zinc/16/89/48/555168948.db2.gz GUYHUMNZFJZZKY-DIPNUNPCSA-N 0 0 560.401 5.895 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940375 555168975 /nfs/dbraw/zinc/16/89/75/555168975.db2.gz AVBWPGFQMFWORI-LHEWISCISA-N 0 0 597.414 5.120 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000102947090 555171911 /nfs/dbraw/zinc/17/19/11/555171911.db2.gz OCLQXWGZBODCBO-HHHXNRCGSA-N 0 0 534.056 9.789 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000102958008 555174462 /nfs/dbraw/zinc/17/44/62/555174462.db2.gz IIXHLGRTVALNLX-XYGWBWBKSA-N 0 0 508.590 6.782 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000102973069 555183052 /nfs/dbraw/zinc/18/30/52/555183052.db2.gz QKPSIHQVIDSTBG-XLJNKUFUSA-N 0 0 577.563 8.829 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000102973086 555183060 /nfs/dbraw/zinc/18/30/60/555183060.db2.gz IYZXXIQVENCVLB-ZQWAWDFXSA-N 0 0 589.574 8.996 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c(Br)c3N2)cc1 ZINC000102973222 555183069 /nfs/dbraw/zinc/18/30/69/555183069.db2.gz AMGXNZICLXJZKW-OYYNGEPBSA-N 0 0 594.457 6.625 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000102973066 555183100 /nfs/dbraw/zinc/18/31/00/555183100.db2.gz QKPSIHQVIDSTBG-BHYZAODMSA-N 0 0 577.563 8.829 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@H](C)CC ZINC000102991031 555192432 /nfs/dbraw/zinc/19/24/32/555192432.db2.gz OZASQQNCAGYTEI-HSZRJFAPSA-N 0 0 500.680 5.856 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000102991976 555192706 /nfs/dbraw/zinc/19/27/06/555192706.db2.gz QTZGIYRKLGXCMD-UHFFFAOYSA-N 0 0 585.786 5.668 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2cccc(F)c2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1 ZINC000102991996 555192900 /nfs/dbraw/zinc/19/29/00/555192900.db2.gz GARGIMKTKDVBCV-UHFFFAOYSA-N 0 0 573.775 5.607 50 30 KKEARN CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000102993681 555193635 /nfs/dbraw/zinc/19/36/35/555193635.db2.gz QCNSPDJXBZFUHE-VABKMULXSA-N 0 0 521.249 5.610 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C1CC1 ZINC000102995578 555195143 /nfs/dbraw/zinc/19/51/43/555195143.db2.gz VUHXWKRXTGZXLR-UHFFFAOYSA-N 0 0 514.732 6.078 50 30 KKEARN CCCCCCCCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000102995857 555195225 /nfs/dbraw/zinc/19/52/25/555195225.db2.gz AVCVAQQWZGPCSN-UHFFFAOYSA-N 0 0 551.627 7.346 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000102996185 555195780 /nfs/dbraw/zinc/19/57/80/555195780.db2.gz BYUDPCLHQGHAGR-HLADLETHSA-N 0 0 509.760 5.814 50 30 KKEARN CCCCCCCCC(=O)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)NCCc2ccccc2)c1 ZINC000102996605 555196254 /nfs/dbraw/zinc/19/62/54/555196254.db2.gz SFZXKDCBQFNZSO-UHFFFAOYSA-N 0 0 511.710 6.911 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@@H](C)CC ZINC000102999502 555199236 /nfs/dbraw/zinc/19/92/36/555199236.db2.gz CPBYVQSZQGHSBE-MHZLTWQESA-N 0 0 556.788 7.416 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102999620 555199245 /nfs/dbraw/zinc/19/92/45/555199245.db2.gz HLHWWOBRCPJKDX-UHFFFAOYSA-N 0 0 571.778 6.419 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000102999595 555199253 /nfs/dbraw/zinc/19/92/53/555199253.db2.gz JYLWAESKIMYRGZ-NDEPHWFRSA-N 0 0 554.728 6.466 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(C)C ZINC000103000568 555200246 /nfs/dbraw/zinc/20/02/46/555200246.db2.gz OYWSGALWUQUEBU-UHFFFAOYSA-N 0 0 586.883 8.275 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000103000626 555200535 /nfs/dbraw/zinc/20/05/35/555200535.db2.gz UJIHPMMXYDTXMR-LJAQVGFWSA-N 0 0 598.850 7.714 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)CC(C)C ZINC000103000633 555200552 /nfs/dbraw/zinc/20/05/52/555200552.db2.gz MWZJNZUTRUZKHW-UHFFFAOYSA-N 0 0 573.866 8.925 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000103000642 555200556 /nfs/dbraw/zinc/20/05/56/555200556.db2.gz UAAZFQOAWIYDEY-UHFFFAOYSA-N 0 0 567.815 6.670 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000103000755 555200749 /nfs/dbraw/zinc/20/07/49/555200749.db2.gz XMVXENMQPDQRKV-UHFFFAOYSA-N 0 0 528.709 6.703 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC(=O)c1cc2cc(/N=N/c3cccc4cccc(O)c43)ccc2[nH]1 ZINC000103001834 555201725 /nfs/dbraw/zinc/20/17/25/555201725.db2.gz MXJSNXTWUUZRAK-XQQUEIPISA-N 0 0 583.817 11.860 50 30 KKEARN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)COc2ccc(C#N)cc2)cc1OCC ZINC000103008617 555205226 /nfs/dbraw/zinc/20/52/26/555205226.db2.gz SWVJPPBSEDJFPE-MUUNZHRXSA-N 0 0 558.675 5.901 50 30 KKEARN CCCCCCCCS(=O)(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000103013433 555207696 /nfs/dbraw/zinc/20/76/96/555207696.db2.gz GKXARSMXERLTOQ-NDEPHWFRSA-N 0 0 549.778 5.059 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103014869 555208558 /nfs/dbraw/zinc/20/85/58/555208558.db2.gz UWDIUNOSTYFJKW-FTBPSBKWSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015082 555208739 /nfs/dbraw/zinc/20/87/39/555208739.db2.gz ICEAWUPVSUAFDB-BUUDZMLXSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000103015587 555208938 /nfs/dbraw/zinc/20/89/38/555208938.db2.gz FCIUIFVNXFMSJY-TUACAJSNSA-N 0 0 612.535 5.977 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015373 555208993 /nfs/dbraw/zinc/20/89/93/555208993.db2.gz RILZZGVHNQZOGO-WGURPXDASA-N 0 0 609.119 6.376 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103015921 555209100 /nfs/dbraw/zinc/20/91/00/555209100.db2.gz PSHYORGHJJZVPX-UKDVSSAZSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103016407 555209641 /nfs/dbraw/zinc/20/96/41/555209641.db2.gz ZIRGECIWPQAGCC-QTLGCAHFSA-N 0 0 613.082 6.207 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=N)NN=C(C)c3ccc(Cl)cc3)C2=O)cc1 ZINC000103026498 555216354 /nfs/dbraw/zinc/21/63/54/555216354.db2.gz OONVFLYVBLMCJW-LWKXQZBCSA-N 0 0 501.052 5.613 50 30 KKEARN CCCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000103027219 555216917 /nfs/dbraw/zinc/21/69/17/555216917.db2.gz ANIQBLAKWUMFPQ-UHFFFAOYSA-N 0 0 576.826 6.811 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103030422 555218575 /nfs/dbraw/zinc/21/85/75/555218575.db2.gz IXDKKKNOGTVPDK-ZDCRTTOTSA-N 0 0 534.704 5.364 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000103047218 555229065 /nfs/dbraw/zinc/22/90/65/555229065.db2.gz KHKFOGHCJSLBNM-UHFFFAOYSA-N 0 0 559.025 5.500 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 ZINC000103064318 555244890 /nfs/dbraw/zinc/24/48/90/555244890.db2.gz CNPAJHACQVSKQT-BFUOFWGJSA-N 0 0 524.952 5.768 50 30 KKEARN CCCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C ZINC000103065511 555245812 /nfs/dbraw/zinc/24/58/12/555245812.db2.gz FOCYQXHMDMKKDY-UHFFFAOYSA-N 0 0 530.197 7.554 50 30 KKEARN N#CCSc1ccccc1NC(=O)CSc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 ZINC000103073545 555253223 /nfs/dbraw/zinc/25/32/23/555253223.db2.gz UGIXYDJCTAZVMB-UHFFFAOYSA-N 0 0 558.761 5.231 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1Cl ZINC000103078245 555256814 /nfs/dbraw/zinc/25/68/14/555256814.db2.gz RVEOSNRDUVKRBQ-UHFFFAOYSA-N 0 0 594.429 5.087 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc32)c1 ZINC000103080133 555258836 /nfs/dbraw/zinc/25/88/36/555258836.db2.gz SRGBXRDGXNOBJR-UHFFFAOYSA-N 0 0 558.656 5.440 50 30 KKEARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)C(=O)Nc1ccccc1C#N ZINC000103081665 555260492 /nfs/dbraw/zinc/26/04/92/555260492.db2.gz YGCFLHVXMQRMNL-WRDGEJPTSA-N 0 0 517.541 5.506 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000103082375 555261492 /nfs/dbraw/zinc/26/14/92/555261492.db2.gz YXVZDQQXGHDFQF-SZEPBZDZSA-N 0 0 523.832 6.148 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000103082642 555261551 /nfs/dbraw/zinc/26/15/51/555261551.db2.gz UMSDJINUYUPTLL-MNQDVBFDSA-N 0 0 509.075 5.750 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@@H]1CCCC[C@H]1[S@@](=O)Cc1ccccc1 ZINC000103120777 555290037 /nfs/dbraw/zinc/29/00/37/555290037.db2.gz LWFZMPQZNNSCAO-PXVVINENSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)C[C@@H]1C ZINC000103121676 555290616 /nfs/dbraw/zinc/29/06/16/555290616.db2.gz GUJRUAKCUFBOEW-ALZHEUPOSA-N 0 0 641.812 8.154 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)N1CC(=O)Nc2ccccc21 ZINC000103124432 555292318 /nfs/dbraw/zinc/29/23/18/555292318.db2.gz KGYQPUFRVUPKKM-UHFFFAOYSA-N 0 0 586.556 6.058 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1 ZINC000103124556 555292322 /nfs/dbraw/zinc/29/23/22/555292322.db2.gz RLYYFRLAFTZDSL-UHFFFAOYSA-N 0 0 517.095 6.707 50 30 KKEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000103128337 555296501 /nfs/dbraw/zinc/29/65/01/555296501.db2.gz IATGUGMRHUBKNS-UHFFFAOYSA-N 0 0 553.665 6.236 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)cc(-c4cc(OC)c(OC)c(OC)c4)c3C#N)C2=O)cc1 ZINC000103128935 555297264 /nfs/dbraw/zinc/29/72/64/555297264.db2.gz ARHIMBNLYVZTQV-GDLZYMKVSA-N 0 0 595.677 6.136 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nnc(-c2ccc(Br)cc2)o1 ZINC000103131002 555300227 /nfs/dbraw/zinc/30/02/27/555300227.db2.gz DYAKRVTVWHIAKG-UHFFFAOYSA-N 0 0 560.477 6.815 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(C(F)(F)F)cc(Cl)c1F)n2Cc1ccc(C(F)(F)F)cc1 ZINC000103142144 555311480 /nfs/dbraw/zinc/31/14/80/555311480.db2.gz KSBUJCKYZSIMQR-UHFFFAOYSA-N 0 0 590.948 8.384 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000103142162 555311506 /nfs/dbraw/zinc/31/15/06/555311506.db2.gz QXQPGTCKYLRFRC-MUUNZHRXSA-N 0 0 602.506 8.401 50 30 KKEARN Cc1ccccc1CSc1nnc(CNC(=O)Nc2cccc(C#N)c2)n1-c1ccc(Cl)cc1Cl ZINC000103185818 555331204 /nfs/dbraw/zinc/33/12/04/555331204.db2.gz QAJSLQLSCFMNPX-UHFFFAOYSA-N 0 0 523.449 6.368 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103189999 555333184 /nfs/dbraw/zinc/33/31/84/555333184.db2.gz MZUAQRYHJRHCBA-VWLOTQADSA-N 0 0 561.125 5.100 50 30 KKEARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000103197446 555335466 /nfs/dbraw/zinc/33/54/66/555335466.db2.gz XQSUQEDOTLGPQQ-DEOSSOPVSA-N 0 0 574.685 6.028 50 30 KKEARN O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1 ZINC000103207516 555339124 /nfs/dbraw/zinc/33/91/24/555339124.db2.gz DCKDWYWOZIZWFU-UHFFFAOYSA-N 0 0 506.349 5.952 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103223080 555341466 /nfs/dbraw/zinc/34/14/66/555341466.db2.gz XWGGSEOPSAHCDA-QUFBTCJSSA-N 0 0 560.691 5.255 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCCCC)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000103230363 555342048 /nfs/dbraw/zinc/34/20/48/555342048.db2.gz KXWPCGIPDRXVNH-GDLZYMKVSA-N 0 0 545.812 9.085 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000103261552 555346994 /nfs/dbraw/zinc/34/69/94/555346994.db2.gz JBCXJASHROPJPR-UHFFFAOYSA-N 0 0 606.571 6.737 50 30 KKEARN CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)c1 ZINC000103360365 555364654 /nfs/dbraw/zinc/36/46/54/555364654.db2.gz JLUGPXQHZYXQQZ-UHFFFAOYSA-N 0 0 591.737 5.754 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000103516841 555423487 /nfs/dbraw/zinc/42/34/87/555423487.db2.gz GMLCYKXALNLKSZ-XDHOZWIPSA-N 0 0 539.366 5.630 50 30 KKEARN FC(F)(F)C(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)F ZINC000103529122 555429590 /nfs/dbraw/zinc/42/95/90/555429590.db2.gz OEDOFOJJNOOWEM-LWMBPPNESA-N 0 0 500.070 6.353 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000103558784 555447586 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510.715 6.617 50 30 KKEARN C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](Oc2ccc(OC)cc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000072099445 571360847 /nfs/dbraw/zinc/36/08/47/571360847.db2.gz ACACVISMIMMNCY-IUGZAPLBSA-N 0 0 504.579 5.070 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000103848632 571363904 /nfs/dbraw/zinc/36/39/04/571363904.db2.gz XTDKCVHGUCUWSG-PCLIKHOPSA-N 0 0 564.059 6.098 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1\S/C(=C2/Sc3ccccc3N2C)C(=O)N1CC ZINC000103879793 571368538 /nfs/dbraw/zinc/36/85/38/571368538.db2.gz AJPFPNADYXSDGT-KRJVTAGMSA-N 0 0 543.887 9.610 50 30 KKEARN COc1ccc(C(=O)C=CNc2ccc(Cc3ccc(NC=CC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 ZINC000103938787 571370366 /nfs/dbraw/zinc/37/03/66/571370366.db2.gz WXBLTUIFGQFYMP-CLFAGFIQSA-N 0 0 578.665 6.929 50 30 KKEARN O=C(C1=C(c2ccccc2)OC(=O)/C1=C1\C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1)c1ccccc1 ZINC000103983327 571370774 /nfs/dbraw/zinc/37/07/74/571370774.db2.gz FSVWIVVAKVCZLI-QPLCGJKRSA-N 0 0 524.528 5.985 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000104011615 571371229 /nfs/dbraw/zinc/37/12/29/571371229.db2.gz RXXXUEBMZIEFLA-GDLZYMKVSA-N 0 0 557.477 8.613 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@@H]21 ZINC000104061939 571372096 /nfs/dbraw/zinc/37/20/96/571372096.db2.gz ICYQHRXWZFNGLD-DPDJPZQYSA-N 0 0 585.489 6.604 50 30 KKEARN C[C@@H](C(=O)Oc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000104073535 571372265 /nfs/dbraw/zinc/37/22/65/571372265.db2.gz AQVRRHOCKJXEHY-MYUZEXMDSA-N 0 0 572.617 6.055 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000104145595 571374958 /nfs/dbraw/zinc/37/49/58/571374958.db2.gz RCOPXECDKHWPMT-OAQYLSRUSA-N 0 0 539.888 7.429 50 30 KKEARN CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104162440 571375834 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571409547 /nfs/dbraw/zinc/40/95/47/571409547.db2.gz RPWZJEHZGSBREY-IWHAWPLNSA-N 0 0 548.462 6.532 50 30 KKEARN CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000105959138 571409626 /nfs/dbraw/zinc/40/96/26/571409626.db2.gz URUKFDBCLMDUSU-SXFDALKKSA-N 0 0 537.081 7.340 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000106014918 571410280 /nfs/dbraw/zinc/41/02/80/571410280.db2.gz XSNYUNULXNPZAW-XWHIBYANSA-N 0 0 556.703 7.266 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(Br)c1 ZINC000106022375 571411067 /nfs/dbraw/zinc/41/10/67/571411067.db2.gz XMFAQRSXXIRBJX-DPDJPZQYSA-N 0 0 538.489 6.636 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)c1ccccc1 ZINC000106412462 571412474 /nfs/dbraw/zinc/41/24/74/571412474.db2.gz OQQSVTLTTRZWEV-ZWXJPIIXSA-N 0 0 567.792 7.465 50 30 KKEARN COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)cc(-c4cc(OC)c(OC)c(OC)c4)c3C#N)C2=O)cc1 ZINC000108803442 571426544 /nfs/dbraw/zinc/42/65/44/571426544.db2.gz QAZDEMSUIPONKM-MUUNZHRXSA-N 0 0 581.650 5.746 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](SC(=NC#N)Nc3ccccc3)C1=O)C[C@H](c1ccccc1)CC2 ZINC000113481342 571439090 /nfs/dbraw/zinc/43/90/90/571439090.db2.gz XRYDBWYWVKGRKL-AUSIDOKSSA-N 0 0 558.685 5.512 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4cccc(Cl)c4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560004 571439926 /nfs/dbraw/zinc/43/99/26/571439926.db2.gz YRMCTQNAMVNRRV-OXHGWOFKSA-N 0 0 588.476 5.912 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3F)c12 ZINC000113561149 571440157 /nfs/dbraw/zinc/44/01/57/571440157.db2.gz PEOHDXAOQAIIAB-WUKNDPDISA-N 0 0 575.690 8.562 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1OC ZINC000113561134 571440181 /nfs/dbraw/zinc/44/01/81/571440181.db2.gz QCWCQDQHOQJWOD-FOCLMDBBSA-N 0 0 617.752 8.440 50 30 KKEARN CC(C)c1ccc(-c2c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3nc(N)c2C#N)cc1 ZINC000113561777 571440313 /nfs/dbraw/zinc/44/03/13/571440313.db2.gz DLMSXUKFLFILNJ-BUHFOSPRSA-N 0 0 563.708 7.333 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(SC(C)(C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C#N)cc1 ZINC000113561764 571440315 /nfs/dbraw/zinc/44/03/15/571440315.db2.gz DTEUPTJJMBJABT-UHFFFAOYSA-N 0 0 557.075 7.975 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3F)c12 ZINC000113562097 571440381 /nfs/dbraw/zinc/44/03/81/571440381.db2.gz LMFRADDYSUOCSG-FYWRMAATSA-N 0 0 593.680 8.701 50 30 KKEARN Cc1cccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113563861 571440574 /nfs/dbraw/zinc/44/05/74/571440574.db2.gz WJXYMTVGUHGVQM-XGAHLHMBSA-N 0 0 585.754 8.673 50 30 KKEARN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2cccc(F)c2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113563559 571440589 /nfs/dbraw/zinc/44/05/89/571440589.db2.gz RIRYHDRLFKGCRP-NBRGKURFSA-N 0 0 589.717 8.503 50 30 KKEARN COc1cccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)c1 ZINC000113563332 571440623 /nfs/dbraw/zinc/44/06/23/571440623.db2.gz UVEOANDNXIOWLA-MEQIQYKBSA-N 0 0 585.751 5.059 50 30 KKEARN O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113563989 571440713 /nfs/dbraw/zinc/44/07/13/571440713.db2.gz NMECVLBIIZTFRJ-BEIAQELNSA-N 0 0 624.615 6.357 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000113564210 571440737 /nfs/dbraw/zinc/44/07/37/571440737.db2.gz NFIBCQXGHUTNNS-MDZDMXLPSA-N 0 0 555.628 7.836 50 30 KKEARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1)CC[C@H](c1ccccc1)C3 ZINC000113564574 571440848 /nfs/dbraw/zinc/44/08/48/571440848.db2.gz TYPADFIPUHZSGA-AXDNMFEOSA-N 0 0 535.694 7.361 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1/CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000118915855 571443961 /nfs/dbraw/zinc/44/39/61/571443961.db2.gz ARBKTKAUJNRJQD-ZUOIJTMKSA-N 0 0 572.878 8.431 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C(=N\c2ccc3ccccc3c2)N1C1CCCCC1 ZINC000223210351 571445609 /nfs/dbraw/zinc/44/56/09/571445609.db2.gz XEESYKDTYABITB-AGJGHCONSA-N 0 0 523.614 7.945 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000136372920 571449382 /nfs/dbraw/zinc/44/93/82/571449382.db2.gz UJARFUKQDZGFDL-GLPQPABWSA-N 0 0 589.817 9.163 50 30 KKEARN Cc1c(/C=C2\C[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)cnn1C ZINC000137170917 571450160 /nfs/dbraw/zinc/45/01/60/571450160.db2.gz ZZKYIWDKKVRQON-NMZLIZLSSA-N 0 0 546.840 8.181 50 30 KKEARN CCOC(=O)/C=C1\C[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C(C)(C)C1=O ZINC000137171843 571450196 /nfs/dbraw/zinc/45/01/96/571450196.db2.gz SUNGIAGTTRIRSA-KIKFXLECSA-N 0 0 524.786 7.545 50 30 KKEARN CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000138218215 571451227 /nfs/dbraw/zinc/45/12/27/571451227.db2.gz KVTYLGHNXIRRGV-JOCHJYFZSA-N 0 0 540.458 6.441 50 30 KKEARN CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000138198924 571451251 /nfs/dbraw/zinc/45/12/51/571451251.db2.gz KQIKXUIHPLMSRE-NRFANRHFSA-N 0 0 591.358 7.608 50 30 KKEARN O=C1/C(=N\c2ccc3c(c2)oc2ccccc23)c2ccccc2N1CN1CCN(Cc2ccccc2)CC1 ZINC000140404317 571455763 /nfs/dbraw/zinc/45/57/63/571455763.db2.gz ISEXVWMXYJODKO-FPODKLOTSA-N 0 0 500.602 5.829 50 30 KKEARN CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000150339747 571457657 /nfs/dbraw/zinc/45/76/57/571457657.db2.gz KFOUJVGPGBSIFB-UHFFFAOYSA-N 0 0 660.663 14.100 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340833 571457969 /nfs/dbraw/zinc/45/79/69/571457969.db2.gz FRVXTIVSYJQTRB-UHFFFAOYSA-N 0 0 900.151 10.706 50 30 KKEARN Oc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc21 ZINC000150342136 571458462 /nfs/dbraw/zinc/45/84/62/571458462.db2.gz PGXMYJSTCAQJBY-UHFFFAOYSA-N 0 0 710.514 12.480 50 30 KKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150342522 571458626 /nfs/dbraw/zinc/45/86/26/571458626.db2.gz TXLLWUJNKSALQH-UHFFFAOYSA-N 0 0 746.142 9.994 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000150342693 571458746 /nfs/dbraw/zinc/45/87/46/571458746.db2.gz MFFVZGUPYIMIPD-KTBRYMIGSA-N 0 0 652.500 9.627 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000150342695 571458778 /nfs/dbraw/zinc/45/87/78/571458778.db2.gz MFFVZGUPYIMIPD-MNAQKMTRSA-N 0 0 652.500 9.627 50 30 KKEARN Clc1ccc(COc2c(Br)cc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)cc2Br)c(Cl)c1 ZINC000150344789 571459451 /nfs/dbraw/zinc/45/94/51/571459451.db2.gz FNGOGLXJWKJIET-VWJSQJICSA-N 0 0 692.243 8.072 50 30 KKEARN COc1ccc(C(O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[P@](=O)(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344948 571459553 /nfs/dbraw/zinc/45/95/53/571459553.db2.gz BEMDXQXSHVUENL-IQTVPXELSA-N 0 0 760.825 6.701 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1OC ZINC000150345162 571459830 /nfs/dbraw/zinc/45/98/30/571459830.db2.gz ONGVTTDOFMMHAG-XJNHXSSVSA-N 0 0 656.764 5.650 50 30 KKEARN O=C(c1ccc(Br)cc1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150345605 571459995 /nfs/dbraw/zinc/45/99/95/571459995.db2.gz ZZUHWLUVQQXPAI-SCZZXKLOSA-N 0 0 635.064 7.504 50 30 KKEARN C/C(=N\N=C(/C)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000150346389 571460370 /nfs/dbraw/zinc/46/03/70/571460370.db2.gz WTMHFLROXKPDNZ-VLMNQWLNSA-N 0 0 635.486 9.359 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150347734 571460845 /nfs/dbraw/zinc/46/08/45/571460845.db2.gz HDCGZKPLSIIZAZ-UHFFFAOYSA-N 0 0 971.127 12.377 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 ZINC000150348466 571461232 /nfs/dbraw/zinc/46/12/32/571461232.db2.gz ZJAMXBNTKOYKAW-KWSSJOFQSA-N 0 0 638.463 8.841 50 30 KKEARN Cc1[nH]c2ccc(Br)cc2c1CCNC(c1ccc(C)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348877 571461367 /nfs/dbraw/zinc/46/13/67/571461367.db2.gz DMNDYVSTYAOSAQ-FTTXPQLCSA-N 0 0 633.546 7.395 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4[O-])cc3s2)cc1 ZINC000150358163 571463507 /nfs/dbraw/zinc/46/35/07/571463507.db2.gz OQAKLGCHLWTNPH-LUOAPIJWSA-N 0 0 713.360 6.895 50 30 KKEARN FC(F)(F)COP1(OCC(F)(F)F)=NP(OCC(F)(F)F)(OCC(F)(F)F)=NP(OCC(F)(F)F)(OCC(F)(F)F)=N1 ZINC000150361602 571463908 /nfs/dbraw/zinc/46/39/08/571463908.db2.gz DXYATJFKKSEBAL-UHFFFAOYSA-N 0 0 729.129 9.312 50 30 KKEARN CN(C)c1nc(N=NCc2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1 ZINC000150365639 571464652 /nfs/dbraw/zinc/46/46/52/571464652.db2.gz QJPXBKWIPJDXEG-LPEPFOFCSA-N 0 0 774.232 7.091 50 30 KKEARN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000150365819 571464654 /nfs/dbraw/zinc/46/46/54/571464654.db2.gz QFXYUGCEDFDOMS-YIDORKBYSA-N 0 0 752.590 6.291 50 30 KKEARN COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(I)c(OCc4ccc(Br)cc4)c(I)c3)C(=O)N2C)cc1 ZINC000150381111 571466951 /nfs/dbraw/zinc/46/69/51/571466951.db2.gz KEEXAAJZOBTIOO-YQRLWAIUSA-N 0 0 789.227 7.258 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@H](c1ccc(Br)cc1)S[C@@H]2c1ccc(Br)cc1 ZINC000150382466 571467222 /nfs/dbraw/zinc/46/72/22/571467222.db2.gz FOEHBYHVSZHDSR-DNQXCXABSA-N 0 0 669.489 8.392 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150384850 571468423 /nfs/dbraw/zinc/46/84/23/571468423.db2.gz RUDYKJUPJSBFLF-FPNNDXFKSA-N 0 0 652.641 6.380 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000150384895 571468447 /nfs/dbraw/zinc/46/84/47/571468447.db2.gz GIVPMLOINZVDMO-ZYNWCNCSSA-N 0 0 650.079 7.128 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000150386077 571469243 /nfs/dbraw/zinc/46/92/43/571469243.db2.gz CZXFZBXXIBSURP-XYGWBWBKSA-N 0 0 652.510 6.684 50 30 KKEARN N#C[C@@]12CN(c3ccc(Br)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Br)cc4)CN3C1=S)[C@H]2c1ccccc1Cl ZINC000150386596 571469431 /nfs/dbraw/zinc/46/94/31/571469431.db2.gz GHJHPWVBHGROSQ-ZJGIAAPESA-N 0 0 680.857 6.965 50 30 KKEARN N#Cc1nc(-c2ccc(F)cc2)c(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4nc(C#N)c(C#N)nc4-c4ccc(F)cc4)cc3)cc2)nc1C#N ZINC000150388002 571470575 /nfs/dbraw/zinc/47/05/75/571470575.db2.gz GFSRXDFJCCTFEO-UHFFFAOYSA-N 0 0 726.710 8.977 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@@H](Oc1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)Nc1ccccc1Cl ZINC000150389913 571472186 /nfs/dbraw/zinc/47/21/86/571472186.db2.gz CCPHGIDTXAYLIM-RRHRGVEJSA-N 0 0 750.373 10.823 50 30 KKEARN O=C(N1CCN(C(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)CC1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150391136 571473363 /nfs/dbraw/zinc/47/33/63/571473363.db2.gz GPRBBZUZAZTBCN-OCAPTIKFSA-N 0 0 710.206 5.727 50 30 KKEARN Cc1cc(-c2ccc(NC(=NS(=O)(=O)c3ccccc3)c3ccccc3)c(C)c2)ccc1NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000150391223 571473486 /nfs/dbraw/zinc/47/34/86/571473486.db2.gz SFUUPIDZAVVSMH-UHFFFAOYSA-N 0 0 698.870 8.466 50 30 KKEARN O=C1/C(=C/c2cc(I)cc(I)c2OCc2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000150391327 571473594 /nfs/dbraw/zinc/47/35/94/571473594.db2.gz ZTJYDIFHZFWHJF-FTZKUKSXSA-N 0 0 783.256 9.590 50 30 KKEARN O=C1/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)CC/C1=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000150396711 571476696 /nfs/dbraw/zinc/47/66/96/571476696.db2.gz AQDGUHXXBUWPRX-AKXMNXFUSA-N 0 0 700.886 11.228 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@@H](c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)O2)c1C#N ZINC000150397222 571476753 /nfs/dbraw/zinc/47/67/53/571476753.db2.gz WODHAVINGBPSDQ-MUUNZHRXSA-N 0 0 755.791 6.286 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O/N=c2/oc3cc4c(cc3c3c2CCCC3)CCC2(CCCCC2)O4)cc1 ZINC000150400263 571477961 /nfs/dbraw/zinc/47/79/61/571477961.db2.gz XRXBREPYXQLUCB-KAVZPQNDSA-N 0 0 640.802 6.597 50 30 KKEARN O=C(NC(=S)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000150401082 571478217 /nfs/dbraw/zinc/47/82/17/571478217.db2.gz QAIPXZYRRAYKSU-UHFFFAOYSA-N 0 0 712.484 8.451 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150401355 571478288 /nfs/dbraw/zinc/47/82/88/571478288.db2.gz YMVLZIVZGIELPG-VKGTZQKMSA-N 0 0 646.600 6.229 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000150401346 571478309 /nfs/dbraw/zinc/47/83/09/571478309.db2.gz HAMWMRUKAKBIBD-HMILPKGGSA-N 0 0 646.600 6.141 50 30 KKEARN C=CCn1c(SCC(=O)NCCCCCCNC(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CCCC4)nc2sc3c(c2c1=O)CCCC3 ZINC000150421960 571487893 /nfs/dbraw/zinc/48/78/93/571487893.db2.gz AJMLRZJDHDNLGL-UHFFFAOYSA-N 0 0 753.054 6.036 50 30 KKEARN C[C@@H](Sc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000150426056 571490381 /nfs/dbraw/zinc/49/03/81/571490381.db2.gz NAIBSKDRQMNTJV-AFAGHSJZSA-N 0 0 686.859 8.533 50 30 KKEARN Brc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Br)cc4)c(/N=C/c4ccc(Br)cc4)c3)cc2)cc1 ZINC000150426294 571490624 /nfs/dbraw/zinc/49/06/24/571490624.db2.gz DFZFROFHIAOZRU-IIDLNTKJSA-N 0 0 716.271 11.018 50 30 KKEARN COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426543 571490757 /nfs/dbraw/zinc/49/07/57/571490757.db2.gz GLFTVGYGNRKUDZ-JRPVAJNPSA-N 0 0 668.580 6.874 50 30 KKEARN O=C1C(Nc2cccc(C(F)(F)F)c2)=C(n2nnc3ccccc32)C(=O)C(Nc2cccc(C(F)(F)F)c2)=C1n1nnc2ccccc21 ZINC000150426507 571490800 /nfs/dbraw/zinc/49/08/00/571490800.db2.gz VFJGNXHCSQSLKK-UHFFFAOYSA-N 0 0 660.538 6.627 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCN(c4ccc(F)cc4)CC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000150427483 571491525 /nfs/dbraw/zinc/49/15/25/571491525.db2.gz ODZUSSUCWPYMLA-UHFFFAOYSA-N 0 0 841.073 6.857 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000150428955 571492442 /nfs/dbraw/zinc/49/24/42/571492442.db2.gz OBKWBKOIFPPKHM-JOHYPREOSA-N 0 0 630.726 5.051 50 30 KKEARN CNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2[C@@H](O[C@H]2c3ccccc3C(=O)C(c3ccc(Cl)c(Cl)c3)=C(NC)N2C)N1C ZINC000150431107 571493551 /nfs/dbraw/zinc/49/35/51/571493551.db2.gz YURDEIHQQKBOOP-PQLPRCMYSA-N 0 0 708.473 9.814 50 30 KKEARN CC(=O)c1sc(-c2nc(C)c(C(=O)C=Cc3ccc(C=CC(=O)c4sc(-c5nc(C)c(C(C)=O)s5)nc4C)cc3)s2)nc1C ZINC000150434505 571495033 /nfs/dbraw/zinc/49/50/33/571495033.db2.gz IEEVPIWIFVPYRU-PHEQNACWSA-N 0 0 658.852 8.278 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435632 571495427 /nfs/dbraw/zinc/49/54/27/571495427.db2.gz RWRGISZWCFFKKW-DNPZSINUSA-N 0 0 632.738 7.532 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435617 571495521 /nfs/dbraw/zinc/49/55/21/571495521.db2.gz RXPCOCGRINZVLD-HWTUVFLMSA-N 0 0 640.714 6.166 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435433 571495574 /nfs/dbraw/zinc/49/55/74/571495574.db2.gz KMDPUFFMEZVRFZ-WOMAKPEMSA-N 0 0 646.765 7.841 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435699 571495804 /nfs/dbraw/zinc/49/58/04/571495804.db2.gz CVRCQYXBOWAUFY-SPJLHVSVSA-N 0 0 662.764 7.622 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435692 571495836 /nfs/dbraw/zinc/49/58/36/571495836.db2.gz CVRCQYXBOWAUFY-ZTRTVBDWSA-N 0 0 662.764 7.622 50 30 KKEARN CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O/N=c1/oc2cc3c(cc2c(C)c1Cc1ccccc1)CCC1(CCCCC1)O3 ZINC000150446315 571500907 /nfs/dbraw/zinc/50/09/07/571500907.db2.gz ADNAFXATXUDINT-OTRMGHKVSA-N 0 0 642.818 7.174 50 30 KKEARN COc1ccc(S(=O)(=O)OC[C@]2(C)[C@@H](OS(=O)(=O)c3ccc(OC)cc3)CC[C@@]3(C)[C@H]2CC[C@@H](C)[C@@]32CC[C@]3(CCOC3)O2)cc1 ZINC000150450252 571502451 /nfs/dbraw/zinc/50/24/51/571502451.db2.gz KLLASXMLVKAYIW-IGTSMTJHSA-N 0 0 678.866 5.744 50 30 biogenic KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462852 571506707 /nfs/dbraw/zinc/50/67/07/571506707.db2.gz GDOOMUPVZBWQEQ-LCWNDPLPSA-N 0 0 634.710 6.842 50 30 KKEARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C(=O)c1c(C)onc1-c1ccccc1Cl)c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000150466553 571507895 /nfs/dbraw/zinc/50/78/95/571507895.db2.gz NIMKJRYHBXNCRB-UHFFFAOYSA-N 0 0 679.472 9.392 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466099 571507939 /nfs/dbraw/zinc/50/79/39/571507939.db2.gz LBDPJTIUJPUCTP-NNZNMFTDSA-N 0 0 666.752 6.722 50 30 KKEARN O[C@@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000150472647 571509952 /nfs/dbraw/zinc/50/99/52/571509952.db2.gz OHTAMDGCFANJHW-GFCCVEGCSA-N 0 0 631.127 7.165 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3cccc4ccccc43)cc(-c3ccc(F)cc3F)c12 ZINC000150483036 571513621 /nfs/dbraw/zinc/51/36/21/571513621.db2.gz OEIMEDPCJPWFMS-BMRADRMJSA-N 0 0 643.740 9.854 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1OC ZINC000150484759 571515309 /nfs/dbraw/zinc/51/53/09/571515309.db2.gz WMQYNXUVTFTHIH-GKUCLKHTSA-N 0 0 681.839 9.535 50 30 KKEARN C[C@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2F)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484905 571515465 /nfs/dbraw/zinc/51/54/65/571515465.db2.gz IPPJAHFNVWZRMR-PQORCFSTSA-N 0 0 624.162 9.157 50 30 KKEARN COc1ccc([C@]2(C#N)[C@@H](c3ccc(Cl)c(Cl)c3)[C@H](C(=O)c3ccc(Cl)cc3)[C@@](O)(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000150493475 571517395 /nfs/dbraw/zinc/51/73/95/571517395.db2.gz HLCUEBMQWGJPMI-UHHBKZOMSA-N 0 0 770.367 11.735 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000150576395 571521520 /nfs/dbraw/zinc/52/15/20/571521520.db2.gz UBWOIHANLIOXHE-OVVQPSECSA-N 0 0 634.592 7.496 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000150583735 571521888 /nfs/dbraw/zinc/52/18/88/571521888.db2.gz YJSGXIUHGGWNIT-LFVJCYFKSA-N 0 0 626.500 6.427 50 30 KKEARN COc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(OC)c([N+](=O)[O-])c4)c(F)c3F)c(F)c2F)cc1[N+](=O)[O-] ZINC000150589919 571521953 /nfs/dbraw/zinc/52/19/53/571521953.db2.gz CLIXCTZKEKPBRK-UHFFFAOYSA-N 0 0 632.372 7.885 50 30 KKEARN C#CCOc1c(I)cc(/C=C2/SC(NC(=O)c3ccccc3Cl)=C(C(=O)OCC)C2=O)cc1OCC ZINC000150594888 571522392 /nfs/dbraw/zinc/52/23/92/571522392.db2.gz WXUTVQXMLYITPF-XSFVSMFZSA-N 0 0 637.879 5.217 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1C ZINC000150607743 571522866 /nfs/dbraw/zinc/52/28/66/571522866.db2.gz CKFXXPMDFGHWRP-PRPIGUFTSA-N 0 0 660.796 5.921 50 30 KKEARN CCCCCCCCCCCCCCC(=O)NC(=S)Nc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N/NC(N)=S)s1 ZINC000150612789 571523049 /nfs/dbraw/zinc/52/30/49/571523049.db2.gz JEHIUGRNVNOFQL-CJRCPLHCSA-N 0 0 645.921 7.515 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)CC(=O)Nc2cc(C(=O)OCCCCCCCCCCCC)ccc2Cl)c1 ZINC000150622288 571523375 /nfs/dbraw/zinc/52/33/75/571523375.db2.gz MLUVWLUDUZTABN-UHFFFAOYSA-N 0 0 747.845 12.116 50 30 KKEARN CC(C)CC1(C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C(=O)C(C)(CC(C)C)C(=O)/C=C\C1=O ZINC000150630460 571523994 /nfs/dbraw/zinc/52/39/94/571523994.db2.gz OFFIVFDSFZLMSJ-WLYXFYDPSA-N 0 0 664.880 6.987 50 30 KKEARN CCCCCCCCCC[C@@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150639887 571524535 /nfs/dbraw/zinc/52/45/35/571524535.db2.gz CRIULWWTGYTBNW-PSXMRANNSA-N 0 0 693.262 9.577 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000150662965 571528024 /nfs/dbraw/zinc/52/80/24/571528024.db2.gz UEJHZXGGYAISSA-BIYCFNCWSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000150663311 571528027 /nfs/dbraw/zinc/52/80/27/571528027.db2.gz ZHPQLLDBXUYCLU-NQHRYMMQSA-N 0 0 655.651 6.202 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H]2[C@H](Sc3ccccc3)C=C3CC[C@H]([C@@H](OCOC)C(=O)[C@H]2C)C3(C)C)COC(C)(C)O1 ZINC000150663705 571528299 /nfs/dbraw/zinc/52/82/99/571528299.db2.gz NHPHKNHAAZVJRU-SZMAMSCQSA-N 0 0 650.878 7.636 50 30 KKEARN O=C1c2ccccc2C2(c3ccc(O)cc3Oc3cc(O)ccc32)N1/N=C/c1c(O)ccc2ccccc21 ZINC000169483515 571553465 /nfs/dbraw/zinc/55/34/65/571553465.db2.gz OVDOJFWIHQPXLE-VTNSRFBWSA-N 0 0 500.510 5.844 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(I)c1 ZINC000169616353 571553671 /nfs/dbraw/zinc/55/36/71/571553671.db2.gz ONDQQUSADRLJNN-DPDJPZQYSA-N 0 0 585.489 6.478 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000169616351 571553693 /nfs/dbraw/zinc/55/36/93/571553693.db2.gz ZOKAUQKYUPMLGC-ISJGIBHGSA-N 0 0 527.365 5.575 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169681880 571557708 /nfs/dbraw/zinc/55/77/08/571557708.db2.gz MVJACUNDDPARPO-PZGXJGMVSA-N 0 0 513.723 5.645 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000169683473 571558067 /nfs/dbraw/zinc/55/80/67/571558067.db2.gz NECKDIUOBMCBCN-NNSISHGFSA-N 0 0 540.454 5.867 50 30 KKEARN N#C[C@@H]1[C@H](c2ccccc2)[C@@](C#N)(C(=O)c2ccccc2)[C@@H]2C=Cc3cc(I)ccc3N12 ZINC000169683499 571558131 /nfs/dbraw/zinc/55/81/31/571558131.db2.gz WMKOBBDOOLIQTJ-AQCTUAEDSA-N 0 0 527.365 5.575 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000169684212 571558327 /nfs/dbraw/zinc/55/83/27/571558327.db2.gz UXDYYOUDMJICQL-LGNVEDGCSA-N 0 0 584.507 6.178 50 30 KKEARN CCCCCCCCCCCCCCCC[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 ZINC000169818485 571561181 /nfs/dbraw/zinc/56/11/81/571561181.db2.gz PMUKEEXASXEDFO-UHFFFAOYSA-N 0 0 526.925 11.262 50 30 KKEARN C=C[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@]1(OCOCC[Si](C)(C)C)[C@H]1[C@H](Sc2ccccc2)C=C2CC[C@H]([C@@H](OCOC)C(=O)[C@H]1C)C2(C)C ZINC000169834596 571561525 /nfs/dbraw/zinc/56/15/25/571561525.db2.gz BHSGNLJXBTUGGK-GGTYSXSDSA-N 0 0 739.060 8.711 50 30 KKEARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C\c2ccc(Cl)cc2)CCCCC1 ZINC000197911914 571566079 /nfs/dbraw/zinc/56/60/79/571566079.db2.gz VACVKJDNXXSACA-CKCIZYEJSA-N 0 0 530.931 8.212 50 30 KKEARN O=C(Oc1ccc(-c2ccc(Br)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000198696207 571568296 /nfs/dbraw/zinc/56/82/96/571568296.db2.gz CBJDYCZQMNZLAN-UHFFFAOYSA-N 0 0 645.156 8.396 50 30 KKEARN N/N=C(\C(=O)Nc1ccc(Br)cc1)[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000198725562 571568782 /nfs/dbraw/zinc/56/87/82/571568782.db2.gz GCZZOGKHQHTLAU-LDKMMWHCSA-N 0 0 561.219 5.420 50 30 KKEARN N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000198725822 571568805 /nfs/dbraw/zinc/56/88/05/571568805.db2.gz HCBZHEUGOSKSSC-RTJUFTNXSA-N 0 0 660.742 7.656 50 30 KKEARN N#Cc1ccc(NC(=O)C(=O)C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccccc3)CC2=O)c([N+](=O)[O-])c1 ZINC000198728644 571568846 /nfs/dbraw/zinc/56/88/46/571568846.db2.gz HTFYKRPXTLMHFP-HXUWFJFHSA-N 0 0 535.438 5.052 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@H](c4ccc(OC)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@H](c2ccc(OC)cc2)O1 ZINC000198726826 571568893 /nfs/dbraw/zinc/56/88/93/571568893.db2.gz OABRSISNWOZJJZ-LJEWAXOPSA-N 0 0 742.869 8.142 50 30 KKEARN CC(=O)Nc1ccc(N2C(=S)N=C(N[C@H](/C=C\c3ccc(Cl)cc3Cl)C(C)(C)C)C2(C)C)cc1 ZINC000207243290 571573225 /nfs/dbraw/zinc/57/32/25/571573225.db2.gz MXZLXFZUSXUGSH-VRVLXJBKSA-N 0 0 517.526 6.952 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000215681379 571584577 /nfs/dbraw/zinc/58/45/77/571584577.db2.gz VPPLRYUBVSSPFT-JOCHJYFZSA-N 0 0 528.848 6.882 50 30 KKEARN CCCCCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C4CC4)cc(-c4ccc(Cl)cc4)c3C#N)C2=O)cc1 ZINC000215675520 571584708 /nfs/dbraw/zinc/58/47/08/571584708.db2.gz LBSNKHXRSJGJMZ-HHHXNRCGSA-N 0 0 546.092 7.144 50 30 KKEARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccccc3/N=C/c3cccnc3Cl)ccc21 ZINC000215724782 571585327 /nfs/dbraw/zinc/58/53/27/571585327.db2.gz KXJGPXOQFUMDES-OISBRLEKSA-N 0 0 513.066 7.733 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccc(/N=C/c4cccnc4Cl)cc3)c3ccccc3)sc2C1 ZINC000215722359 571585356 /nfs/dbraw/zinc/58/53/56/571585356.db2.gz RCCRUXAXIMFAJZ-XPUGJJPNSA-N 0 0 557.144 8.016 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000215734223 571585472 /nfs/dbraw/zinc/58/54/72/571585472.db2.gz HJLCUUWPNBWCOZ-UHFFFAOYSA-N 0 0 549.574 7.234 50 30 KKEARN CCCCCCCCCC[C@H](O)[C@@H]1CC=C2C(=O)N(c3ccccc3)C(=O)[C@@H]2N1Nc1ccc([N+](=O)[O-])cc1 ZINC000215880127 571586812 /nfs/dbraw/zinc/58/68/12/571586812.db2.gz KVHGJAKTBPFFNV-LAJGZZDBSA-N 0 0 534.657 5.612 50 30 in-vitro KKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)[C@H]3CC[C@@]21C ZINC000216030172 571592315 /nfs/dbraw/zinc/59/23/15/571592315.db2.gz QZEIDYFAHGMHPU-UBIJSIRPSA-N 0 0 510.679 7.998 50 30 KKEARN C=C[C@H]1O[C@H](c2ccc(OC)cc2)OC[C@@]1(OCOCC[Si](C)(C)C)[C@@H]1C=C[C@@]23CC[C@@H]([C@@H](OCOC)C(=O)[C@@H]12)C3(C)C ZINC000216528628 571597804 /nfs/dbraw/zinc/59/78/04/571597804.db2.gz ZRTWUOZXCCMCTJ-KEKXXNAZSA-N 0 0 614.852 6.160 50 30 KKEARN C=C(C)COc1ccc([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2oc(COC)cc(=O)c2O)cc1 ZINC000217640595 571602008 /nfs/dbraw/zinc/60/20/08/571602008.db2.gz HSTVELZGOZATRS-RUZDIDTESA-N 0 0 528.605 5.035 50 30 biogenic KKEARN COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000217639854 571602019 /nfs/dbraw/zinc/60/20/19/571602019.db2.gz DXSPEPKHQCMJID-HEMYWOPUSA-N 0 0 521.569 5.723 50 30 KKEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)c2ccccc12 ZINC000217958541 571602735 /nfs/dbraw/zinc/60/27/35/571602735.db2.gz PSBSCHTYCKYYDK-XPUNOZPZSA-N 0 0 508.526 5.923 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)c2ccccc12 ZINC000217958617 571602754 /nfs/dbraw/zinc/60/27/54/571602754.db2.gz PSBSCHTYCKYYDK-XLBQOGMNSA-N 0 0 508.526 5.923 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)c1OC ZINC000217986237 571602976 /nfs/dbraw/zinc/60/29/76/571602976.db2.gz YOLHRVRSZUPKAB-SSVUZXLWSA-N 0 0 510.498 5.176 50 30 biogenic KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000220970181 571604194 /nfs/dbraw/zinc/60/41/94/571604194.db2.gz IIGFXHVVOLPJCY-OAHLLOKOSA-N 0 0 500.093 6.330 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3c(C)n(CC(=O)NCc4ccco4)c4ccccc34)C(=O)N2C)cc1 ZINC000225385680 571754471 /nfs/dbraw/zinc/75/44/71/571754471.db2.gz QIKBALAVCGGLNF-QKSAGWNYSA-N 0 0 514.607 5.102 50 30 KKEARN COC(=O)[C@@]12CC[C@@]3(C(=O)OC)CC[C@H](C)[C@H](C)[C@@H]3C1=CC(=O)[C@@H]1[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000261493299 572112470 /nfs/dbraw/zinc/11/24/70/572112470.db2.gz PAZDKPODGCWNOL-CNMFRLLOSA-N 0 0 570.767 6.081 50 30 KKEARN COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3ccc4c(c31)O/C(=C\c1cccnc1)C4=O)c(=O)n2CC(C)C ZINC000263584859 572115477 /nfs/dbraw/zinc/11/54/77/572115477.db2.gz BPYJYHXKGILTJK-UTVZRWHFSA-N 0 0 522.557 5.118 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](C3=Cc5ccccc5OC3)CC(=O)O4)C1=O)cn2C ZINC000263585386 572118107 /nfs/dbraw/zinc/11/81/07/572118107.db2.gz IASANKRFJNVKSM-KVURCKEDSA-N 0 0 505.526 5.672 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2OCc2ccccn2)CC(=O)O3)C1=O ZINC000263585469 572118893 /nfs/dbraw/zinc/11/88/93/572118893.db2.gz JBGWXRVTORBELR-PXDDYHHSSA-N 0 0 505.526 5.726 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3Br)CC(=O)O4)C2=O)cc1 ZINC000263585764 572119809 /nfs/dbraw/zinc/11/98/09/572119809.db2.gz MEYPKLXWZDDAMH-UZQMFHLOSA-N 0 0 505.320 5.293 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C1=O)cn2C ZINC000263586115 572122045 /nfs/dbraw/zinc/12/20/45/572122045.db2.gz QKRCWOKKOFFQPJ-GRXZTXSZSA-N 0 0 558.590 6.218 50 30 KKEARN COc1cc(C(=O)Nc2cccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)c2)cc2c1OCCCO2 ZINC000263586263 572122633 /nfs/dbraw/zinc/12/26/33/572122633.db2.gz RVXBYJUXDRZPDQ-UHFFFAOYSA-N 0 0 637.483 5.320 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(OC)cc3OC)CC(=O)O4)C1=O)cn2C ZINC000263586887 572125738 /nfs/dbraw/zinc/12/57/38/572125738.db2.gz ZHXMYNCGWORNIS-VTLZRYSDSA-N 0 0 511.530 5.261 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccc(OC)cc3OC)CC(=O)O4)C1=O)cn2C ZINC000263586886 572125788 /nfs/dbraw/zinc/12/57/88/572125788.db2.gz ZHXMYNCGWORNIS-UTVZRWHFSA-N 0 0 511.530 5.261 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000226284751 572135910 /nfs/dbraw/zinc/13/59/10/572135910.db2.gz RTWCOTOMJPDXRE-LNHNDHHWSA-N 0 0 596.506 8.187 50 30 KKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000226619071 572139066 /nfs/dbraw/zinc/13/90/66/572139066.db2.gz LDVRSCVKOXAOLH-WYOOIXGGSA-N 0 0 554.750 8.910 50 30 KKEARN COc1cccc(/C=N/[C@@H]2c3cccc(OC)c3O[C@@]3(/N=C/c4cccc(OC)c4O)CCCC[C@@H]23)c1O ZINC000226758007 572140643 /nfs/dbraw/zinc/14/06/43/572140643.db2.gz PJHYABLKYRVMMW-AUKGJACKSA-N 0 0 516.594 5.682 50 30 KKEARN CCCCCCCCOc1ccc(C2=N[C@@H]3SC(c4ccc(OCCCCCCCC)cc4)=N[C@@H]3S2)cc1 ZINC000226757310 572140650 /nfs/dbraw/zinc/14/06/50/572140650.db2.gz LACZLYGYNNLLIV-ROJLCIKYSA-N 0 0 552.850 9.504 50 30 KKEARN N#C[C@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000226877076 572144372 /nfs/dbraw/zinc/14/43/72/572144372.db2.gz PNWGDFJSFHZKND-QTJGBDASSA-N 0 0 570.472 5.349 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)/C1=C\N=C1C(=O)C=Cc2ncccc21 ZINC000334157041 572152583 /nfs/dbraw/zinc/15/25/83/572152583.db2.gz RFYBNZZLVSVCNB-NIGMFFPCSA-N 0 0 567.862 10.367 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl ZINC000334158600 572153506 /nfs/dbraw/zinc/15/35/06/572153506.db2.gz WZFTYWZUISZALT-UHFFFAOYSA-N 0 0 517.010 5.191 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000229625705 572157707 /nfs/dbraw/zinc/15/77/07/572157707.db2.gz GNFYDEMOWDFGEM-URURZURFSA-N 0 0 595.611 5.299 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000229859438 572161521 /nfs/dbraw/zinc/16/15/21/572161521.db2.gz QKQNOFCJKOGRRS-ZUDRNWICSA-N 0 0 600.513 5.847 50 30 KKEARN O=C(C1=C2C(O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229872875 572163895 /nfs/dbraw/zinc/16/38/95/572163895.db2.gz DJLAWDXPGNLXQI-RSYZFUPGSA-N 0 0 576.958 5.737 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000229880206 572165141 /nfs/dbraw/zinc/16/51/41/572165141.db2.gz XDOGVCPXVNRHKI-AJCCEMSJSA-N 0 0 619.515 6.958 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000229886696 572165240 /nfs/dbraw/zinc/16/52/40/572165240.db2.gz ICYAGPJHQUJERY-ISJGIBHGSA-N 0 0 514.810 6.387 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000229932290 572170852 /nfs/dbraw/zinc/17/08/52/572170852.db2.gz BNESVEPATFAYCP-FKIBOPDCSA-N 0 0 560.716 5.724 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000229971330 572175318 /nfs/dbraw/zinc/17/53/18/572175318.db2.gz FKXFAIVAZFLUCC-OFQAEJFBSA-N 0 0 560.691 5.255 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000230006060 572178469 /nfs/dbraw/zinc/17/84/69/572178469.db2.gz BCKTZPLYWGTAPU-UZSVIBPSSA-N 0 0 512.772 7.661 50 30 biogenic KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1F ZINC000230021480 572179276 /nfs/dbraw/zinc/17/92/76/572179276.db2.gz CBVKJEBZJXDTHC-RYRVMRHHSA-N 0 0 652.641 6.380 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000230034069 572180525 /nfs/dbraw/zinc/18/05/25/572180525.db2.gz YSNSRQGCCMWRQX-DCEDVJGZSA-N 0 0 557.565 5.428 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C(C#N)(C#N)[C@@H]3C=Cc4cc(Br)ccc4N32)cc1 ZINC000230169707 572184392 /nfs/dbraw/zinc/18/43/92/572184392.db2.gz LLGXBIAYHQILED-VJGNERBWSA-N 0 0 540.417 5.751 50 30 KKEARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000230144209 572184446 /nfs/dbraw/zinc/18/44/46/572184446.db2.gz FISZGMLXLXEGJB-KCEHZKJRSA-N 0 0 530.716 7.987 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)[C@H](C)CC(C)(C)N3Cc2ccccc2)C1 ZINC000231434436 572187516 /nfs/dbraw/zinc/18/75/16/572187516.db2.gz QZKNNPILDJKWMA-RDGXASFGSA-N 0 0 592.787 9.053 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000239287523 572192947 /nfs/dbraw/zinc/19/29/47/572192947.db2.gz CXMQPDCTRXYJQU-FFCVWOAGSA-N 0 0 532.593 5.077 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000245228653 572205381 /nfs/dbraw/zinc/20/53/81/572205381.db2.gz AWMAHLVJOBJSFD-VHRBWHGISA-N 0 0 735.833 8.368 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000245228818 572205813 /nfs/dbraw/zinc/20/58/13/572205813.db2.gz GBJXNJYFFXVPQP-SKYMCVQSSA-N 0 0 658.578 7.742 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000245229034 572205962 /nfs/dbraw/zinc/20/59/62/572205962.db2.gz LMISCJNEHIFLER-JVYYFHACSA-N 0 0 742.291 8.859 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000245229035 572205995 /nfs/dbraw/zinc/20/59/95/572205995.db2.gz LMISCJNEHIFLER-OIPVWHMQSA-N 0 0 742.291 8.859 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000245229287 572206671 /nfs/dbraw/zinc/20/66/71/572206671.db2.gz SNZKXROYLGSZTB-PUXRKXTJSA-N 0 0 825.208 10.556 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000245229375 572207119 /nfs/dbraw/zinc/20/71/19/572207119.db2.gz WBRFQFHUEUBXFN-RDCWZDOOSA-N 0 0 598.526 7.724 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000245241235 572215051 /nfs/dbraw/zinc/21/50/51/572215051.db2.gz ZJIRRWDAJMKTQN-TWNHRCRFSA-N 0 0 522.692 5.219 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)Nc2ccccc2Br)n1 ZINC000245241920 572216196 /nfs/dbraw/zinc/21/61/96/572216196.db2.gz UDQDCWSOHJKMCJ-RQTOMXEWSA-N 0 0 603.521 5.049 50 30 KKEARN C=CCSC1=N[C@H](c2ccc(OC)cc2)[C@@H]2C[C@H](C)C[C@@H]3[C@@H](c4ccc(OC)cc4)c4ccc(O)c(O)c4O[C@@]32N1 ZINC000245255473 572222022 /nfs/dbraw/zinc/22/20/22/572222022.db2.gz IOTDTFACAVPCSM-LEZHSGJCSA-N 0 0 572.727 6.618 50 30 KKEARN CCCCOc1ccc(/C=C2\C[C@@H](CC)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000245298304 572227009 /nfs/dbraw/zinc/22/70/09/572227009.db2.gz ZMEFJGDUCKEYOM-PRVKEZQOSA-N 0 0 534.737 8.698 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000245324900 572231321 /nfs/dbraw/zinc/23/13/21/572231321.db2.gz BZCLUFYEIQJFLT-UUWRZZSWSA-N 0 0 604.728 5.964 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000248267794 572257670 /nfs/dbraw/zinc/25/76/70/572257670.db2.gz OZCQRHAJPIKACS-GRPMBEMWSA-N 0 0 526.755 7.188 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1cccc(Br)c1 ZINC000248320445 572258013 /nfs/dbraw/zinc/25/80/13/572258013.db2.gz SIGNMOLMUMXFTJ-QZGDURIRSA-N 0 0 787.548 10.249 50 30 KKEARN CCOC(=O)/N=C(\C)[C@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252460152 572261237 /nfs/dbraw/zinc/26/12/37/572261237.db2.gz CBORQCYIAPPBLT-PTCZDYPPSA-N 0 0 502.652 6.006 50 30 KKEARN C#CCOc1ccc2ccccc2c1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000252498111 572261807 /nfs/dbraw/zinc/26/18/07/572261807.db2.gz RECZMGDFCRJGTK-GDLZYMKVSA-N 0 0 561.688 5.101 50 30 KKEARN COc1cc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)cc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252589632 572266474 /nfs/dbraw/zinc/26/64/74/572266474.db2.gz ALCJXAZFWTTZSD-UHFFFAOYSA-N 0 0 800.693 10.215 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CC1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000252589811 572266490 /nfs/dbraw/zinc/26/64/90/572266490.db2.gz ANHLWNDKAQKCPB-JOCHJYFZSA-N 0 0 533.675 5.969 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000252591685 572266611 /nfs/dbraw/zinc/26/66/11/572266611.db2.gz BBVIIZXIQCYEPT-UHFFFAOYSA-N 0 0 629.581 5.360 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252591157 572266677 /nfs/dbraw/zinc/26/66/77/572266677.db2.gz AYBWPKYDULKECL-PXHXSQDOSA-N 0 0 580.622 7.867 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2cc(Br)cc(OC)c2O)C(=O)N1c1ccccc1CC ZINC000252593835 572266753 /nfs/dbraw/zinc/26/67/53/572266753.db2.gz BMUOOXDZDAROSW-FNINVWMNSA-N 0 0 537.479 7.097 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000252593876 572266788 /nfs/dbraw/zinc/26/67/88/572266788.db2.gz BNUSXBSOMXEZHQ-CWNGSANTSA-N 0 0 527.580 6.111 50 30 KKEARN Clc1ccc(OCc2ccccc2Cl)c(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c1 ZINC000252595504 572266869 /nfs/dbraw/zinc/26/68/69/572266869.db2.gz CBDMTYVPGPUVRD-UHFFFAOYSA-N 0 0 511.457 6.009 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/c4cc(Br)ccc4N(C)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252596297 572267006 /nfs/dbraw/zinc/26/70/06/572267006.db2.gz CIAWJCOYJNNNEP-JGQHHPFISA-N 0 0 546.490 6.838 50 30 KKEARN CC(C)(C)c1cc(CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N=Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000252596699 572267026 /nfs/dbraw/zinc/26/70/26/572267026.db2.gz CLJGHUPDEDZOQB-UHFFFAOYSA-N 0 0 556.835 9.324 50 30 KKEARN COc1ccc(-c2nc3cc(N=Cc4cc(Br)ccc4O)ccc3o2)cc1Br ZINC000252596715 572267048 /nfs/dbraw/zinc/26/70/48/572267048.db2.gz CLUYKSCUCXIBBO-UHFFFAOYSA-N 0 0 502.162 6.485 50 30 KKEARN COc1cc(C=Nc2ccc(-c3ccc(N=Cc4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)cc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252597236 572267160 /nfs/dbraw/zinc/26/71/60/572267160.db2.gz CQFWSKQKQITMBS-UHFFFAOYSA-N 0 0 784.694 10.089 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000252598418 572267184 /nfs/dbraw/zinc/26/71/84/572267184.db2.gz DACRMSQTWYGMNT-VASVRFFCSA-N 0 0 501.402 5.102 50 30 KKEARN CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)C(=O)N2C2CCCCC2)cc1 ZINC000252599468 572267214 /nfs/dbraw/zinc/26/72/14/572267214.db2.gz DJPQGNUPXYEDGK-DZDDOPQDSA-N 0 0 558.773 7.980 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252598982 572267234 /nfs/dbraw/zinc/26/72/34/572267234.db2.gz DGBQFEZLFSTPGS-UHFFFAOYSA-N 0 0 682.656 8.723 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=Nc2ccccc2)cc1 ZINC000252601203 572267427 /nfs/dbraw/zinc/26/74/27/572267427.db2.gz DXSVGYSGVHXDBA-NHENKNFFSA-N 0 0 535.452 8.066 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252602190 572267527 /nfs/dbraw/zinc/26/75/27/572267527.db2.gz FGGANCPMZIRNHA-OSEVIBAWSA-N 0 0 540.773 8.921 50 30 KKEARN O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=Nc2ccccc2F)N1C1CCCCC1 ZINC000252604794 572267663 /nfs/dbraw/zinc/26/76/63/572267663.db2.gz GDDCUNFHNIWHDT-MJQVHQDNSA-N 0 0 539.676 7.796 50 30 KKEARN CCN1c2ccc([N+](=O)[O-])cc2/C(=C2\SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)C1=O ZINC000252603669 572267685 /nfs/dbraw/zinc/26/76/85/572267685.db2.gz FSWZOJKAHMNHFN-OBASSNPASA-N 0 0 526.618 6.374 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(N=Cc4c(O)ccc5ccccc54)cc3s2)cc1OC ZINC000252605838 572267828 /nfs/dbraw/zinc/26/78/28/572267828.db2.gz GNGVJGWNIYRITM-UHFFFAOYSA-N 0 0 557.697 6.374 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252606351 572267837 /nfs/dbraw/zinc/26/78/37/572267837.db2.gz GRPVYDRGRPSAFQ-UHFFFAOYSA-N 0 0 567.428 8.933 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3cc(Br)ccc3O)cc2s1)NCCc1ccccc1 ZINC000252607015 572267967 /nfs/dbraw/zinc/26/79/67/572267967.db2.gz GXNLDIPPQCQFGD-UHFFFAOYSA-N 0 0 526.481 5.966 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC ZINC000252608344 572268088 /nfs/dbraw/zinc/26/80/88/572268088.db2.gz HJMMTZPJKMTGKB-YKXMXDARSA-N 0 0 515.429 5.110 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(OC)cc1 ZINC000252609748 572268209 /nfs/dbraw/zinc/26/82/09/572268209.db2.gz HVEHMHGMXRJFEB-YLPDHICQSA-N 0 0 543.714 7.172 50 30 KKEARN O=[N+]([O-])c1ccc(C=Nc2ccc(S(=O)(=O)c3ccc(N=Cc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000252612391 572268300 /nfs/dbraw/zinc/26/83/00/572268300.db2.gz IRTVQXSHAKVIAT-UHFFFAOYSA-N 0 0 514.519 5.837 50 30 KKEARN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c(C)c1 ZINC000252615320 572268617 /nfs/dbraw/zinc/26/86/17/572268617.db2.gz JRCXZSUSJFSBOB-UUHODFECSA-N 0 0 527.580 6.165 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1 ZINC000252614180 572268648 /nfs/dbraw/zinc/26/86/48/572268648.db2.gz JGSXDNJLMOPVGX-UHFFFAOYSA-N 0 0 526.944 6.626 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252617123 572268876 /nfs/dbraw/zinc/26/88/76/572268876.db2.gz KMSLOYAUYQGRLD-AFRXJUDZSA-N 0 0 571.482 6.992 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2cc(-c3nc4ccccc4o3)ccc2C)c1O ZINC000252617646 572268999 /nfs/dbraw/zinc/26/89/99/572268999.db2.gz KXOBXCLNCNPESL-UHFFFAOYSA-N 0 0 516.189 6.793 50 30 KKEARN Cc1ccc(N=C2S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252617385 572269002 /nfs/dbraw/zinc/26/90/02/572269002.db2.gz KRRNWUYBXKHNLU-CQTDWDHTSA-N 0 0 509.587 7.589 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3cc(Br)cc(Br)c3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252618891 572269151 /nfs/dbraw/zinc/26/91/51/572269151.db2.gz LKPHDTXXOZTWEJ-CQKUFZHESA-N 0 0 600.376 8.154 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000252619443 572269231 /nfs/dbraw/zinc/26/92/31/572269231.db2.gz LPOWJBXQOQCDLP-XHKDLHGUSA-N 0 0 527.017 6.317 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(I)c(OC)c(I)c2)SC1=Nc1ccccc1 ZINC000252619947 572269256 /nfs/dbraw/zinc/26/92/56/572269256.db2.gz LUTMLALJKNZBIP-ZTPJVXOPSA-N 0 0 620.250 5.155 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1O ZINC000252620622 572269351 /nfs/dbraw/zinc/26/93/51/572269351.db2.gz MIDLGFBHKVVTCC-UHFFFAOYSA-N 0 0 529.184 6.450 50 30 KKEARN CCc1cc(C)cc(OCCOc2c(Cl)cc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)cc2OC)c1 ZINC000252620544 572269379 /nfs/dbraw/zinc/26/93/79/572269379.db2.gz MGFMMEPPLSVSAA-UHFFFAOYSA-N 0 0 579.145 6.114 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cc(Br)c(OC)cc3OC)C(=O)N2CC(C)C)cc1 ZINC000252620288 572269398 /nfs/dbraw/zinc/26/93/98/572269398.db2.gz MBDPTVUSYGNOJB-ZCMAZGNJSA-N 0 0 505.434 5.735 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000252620130 572269423 /nfs/dbraw/zinc/26/94/23/572269423.db2.gz LXXKZZATYLAPHX-UHFFFAOYSA-N 0 0 585.079 8.182 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000252621797 572269602 /nfs/dbraw/zinc/26/96/02/572269602.db2.gz NGXRRBNVLDBJBN-XPNZPTNDSA-N 0 0 556.687 8.232 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000252621960 572269605 /nfs/dbraw/zinc/26/96/05/572269605.db2.gz NLHQJUJYPTXSGC-FSUGTDFASA-N 0 0 510.590 7.222 50 30 KKEARN C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000252621627 572269631 /nfs/dbraw/zinc/26/96/31/572269631.db2.gz NDBLHEAHVXHPMW-FSUGTDFASA-N 0 0 507.615 6.035 50 30 KKEARN CCOc1ccc(N=C2S/C(=C\c3cn(Cc4ccccc4)c4ccc(Br)cc34)C(=O)N2C2CCCCC2)cc1 ZINC000252622147 572269638 /nfs/dbraw/zinc/26/96/38/572269638.db2.gz NPURKHRYDQWAKJ-NTEOGAKRSA-N 0 0 614.609 8.788 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252623569 572269989 /nfs/dbraw/zinc/26/99/89/572269989.db2.gz OUKAQTQCSSQVPS-DFZXFXTASA-N 0 0 520.582 5.824 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252625606 572270371 /nfs/dbraw/zinc/27/03/71/572270371.db2.gz QNNKLGKXXUDCHC-ZTESRENESA-N 0 0 563.451 6.411 50 30 KKEARN COc1cc(Cl)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)c1OC ZINC000252626209 572270543 /nfs/dbraw/zinc/27/05/43/572270543.db2.gz QYKAUKWTKSGSQE-QQLYOTPLSA-N 0 0 507.055 7.399 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252626565 572270546 /nfs/dbraw/zinc/27/05/46/572270546.db2.gz RBGDINURGQRVTO-UHFFFAOYSA-N 0 0 707.844 7.517 50 30 KKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000252626063 572270567 /nfs/dbraw/zinc/27/05/67/572270567.db2.gz QVNSYWRBSIXAIU-UHFFFAOYSA-N 0 0 516.189 6.793 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3c(Cl)cccc3Cl)nc(N3CCOCC3)n2)c(Br)c1 ZINC000252627360 572270784 /nfs/dbraw/zinc/27/07/84/572270784.db2.gz RSPZLEWSSDPUSN-UHFFFAOYSA-N 0 0 537.249 5.276 50 30 KKEARN Cc1cccc(OCCOc2ccc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)cc2)c1 ZINC000252627924 572270807 /nfs/dbraw/zinc/27/08/07/572270807.db2.gz SEDMASKDGNYUHQ-UHFFFAOYSA-N 0 0 514.674 5.669 50 30 KKEARN Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000252627975 572270819 /nfs/dbraw/zinc/27/08/19/572270819.db2.gz SFHWSXDMRLTJNS-KBRSHOTMSA-N 0 0 628.581 9.377 50 30 KKEARN COc1cccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000252628469 572270922 /nfs/dbraw/zinc/27/09/22/572270922.db2.gz SQYRNDVATOGBMQ-GYIDYNKJSA-N 0 0 527.045 7.736 50 30 KKEARN O=C1/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252629075 572271035 /nfs/dbraw/zinc/27/10/35/572271035.db2.gz TYBUSQKBJSSWFY-AEALBBRZSA-N 0 0 511.559 6.571 50 30 KKEARN Cc1cc(C)c(C(Cl)=NOC(=O)N2C(c3c(C)cc(C)cc3C)=NO[C@@H]2C(Cl)(Cl)Cl)c(C)c1 ZINC000252629927 572271265 /nfs/dbraw/zinc/27/12/65/572271265.db2.gz UQLALFBIJNQQNZ-OAQYLSRUSA-N 0 0 531.267 6.964 50 30 KKEARN C(=Nc1ccc(-c2ccc(N=Cc3ccccc3OCc3ccccc3)cc2)cc1)c1ccccc1OCc1ccccc1 ZINC000252631748 572271501 /nfs/dbraw/zinc/27/15/01/572271501.db2.gz VMDPQTCREYVLTQ-UHFFFAOYSA-N 0 0 572.708 10.013 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252632846 572271631 /nfs/dbraw/zinc/27/16/31/572271631.db2.gz VXJMLEZGHHAIFB-ORCMSOPNSA-N 0 0 502.039 7.013 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000252635041 572271709 /nfs/dbraw/zinc/27/17/09/572271709.db2.gz WTUZZALNBWPPBR-YHEUAIPESA-N 0 0 502.636 6.646 50 30 KKEARN Clc1ccc(C=Nc2ccc(Oc3cccc(Oc4ccc(N=Cc5ccc(Cl)cc5Cl)cc4)c3)cc2)c(Cl)c1 ZINC000252635299 572271860 /nfs/dbraw/zinc/27/18/60/572271860.db2.gz WWOKQCVMARTEFN-UHFFFAOYSA-N 0 0 606.336 11.386 50 30 KKEARN COc1cc(-c2ccc(/C=C3/SC(=Nc4ccccc4)N(c4ccccc4)C3=O)o2)c(OC)cc1Cl ZINC000252635523 572271879 /nfs/dbraw/zinc/27/18/79/572271879.db2.gz WXRYLQMYEVDKRJ-SLMZGWQGSA-N 0 0 517.006 7.426 50 30 KKEARN CCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1ccccc1 ZINC000252636142 572271895 /nfs/dbraw/zinc/27/18/95/572271895.db2.gz XFBFJGHZFLLGMK-HXUWFJFHSA-N 0 0 511.997 6.899 50 30 KKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 ZINC000252636748 572271969 /nfs/dbraw/zinc/27/19/69/572271969.db2.gz XMCJZXBIEQEZNQ-UHFFFAOYSA-N 0 0 501.428 7.198 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCc1cccc2ccccc21 ZINC000252636553 572271976 /nfs/dbraw/zinc/27/19/76/572271976.db2.gz XJYZHFCCRDUXFX-UHFFFAOYSA-N 0 0 522.653 5.864 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252638530 572272109 /nfs/dbraw/zinc/27/21/09/572272109.db2.gz YDTQSAHKZDSFRS-DGMIBSDOSA-N 0 0 516.575 5.554 50 30 KKEARN 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CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OCC[NH3+] ZINC000102190344 1069701255 /nfs/dbraw/zinc/70/12/55/1069701255.db2.gz PGDKJXWZRREZOX-MUUNZHRXSA-N 0 0 593.783 7.766 50 30 KKEARN CCCCCN(CCCCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000068572861 1069787207 /nfs/dbraw/zinc/78/72/07/1069787207.db2.gz FTMBKMVAPCSQJG-UHFFFAOYSA-N 0 0 568.403 6.802 50 30 KKEARN CC1C/C(=C\c2cc(OC(F)F)ccc2Br)C(=O)/C(=C\c2cc(OC(F)F)ccc2Br)C1 ZINC000006172501 1069815621 /nfs/dbraw/zinc/81/56/21/1069815621.db2.gz QUIBTCHUDNQHEY-IZKYPSLPSA-N 0 0 578.194 7.880 50 30 KKEARN COC(=O)C[C@H](c1ccccc1OCc1ccccn1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731484 1069833935 /nfs/dbraw/zinc/83/39/35/1069833935.db2.gz ZOZMNDPWUDSDMI-AGALUIKZSA-N 0 0 608.043 5.413 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccc(Oc3ccccc3)cc2)C(c2ccc(Oc3ccccc3)cc2)=C1c1ccccc1 ZINC000002896805 1069840562 /nfs/dbraw/zinc/84/05/62/1069840562.db2.gz DSLFYMDENBKTHW-UHFFFAOYSA-N 0 0 568.672 10.376 50 30 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biogenic KKEARN Cc1ccc(/C(=N\c2sc(-c3ccccc3)nc2-c2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000585152323 1071296246 /nfs/dbraw/zinc/29/62/46/1071296246.db2.gz PCFWBVFSXKJVAR-XKMRCYARSA-N 0 0 532.688 7.825 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)SC1=NN=Cc1ccc(-c2ccccc2Cl)o1 ZINC000002273098 1071311462 /nfs/dbraw/zinc/31/14/62/1071311462.db2.gz OKGKOUHLRWBFOG-JOCHJYFZSA-N 0 0 528.859 6.425 50 30 KKEARN COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000886005285 1071314659 /nfs/dbraw/zinc/31/46/59/1071314659.db2.gz NVMSKVWHUXXWMM-UHFFFAOYSA-N 0 0 517.412 7.287 50 30 KKEARN CC(=Nn1c(-c2ccc(F)cc2)csc1=Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886017599 1071315832 /nfs/dbraw/zinc/31/58/32/1071315832.db2.gz GOJXWAWQWZKAML-UHFFFAOYSA-N 0 0 535.815 7.729 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000102936913 1071321673 /nfs/dbraw/zinc/32/16/73/1071321673.db2.gz WXKNIZWQRGWHMY-CYYJNZCTSA-N 0 0 550.419 8.102 50 30 KKEARN O=C(C=Cc1cc2c(cc1Br)OCCO2)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000103469066 1071338302 /nfs/dbraw/zinc/33/83/02/1071338302.db2.gz RCFMETRTBWYFME-TWGQIWQCSA-N 0 0 567.233 6.800 50 30 KKEARN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003180152 1071342178 /nfs/dbraw/zinc/34/21/78/1071342178.db2.gz MECLYLYVQGVGJY-UHFFFAOYSA-N 0 0 558.601 5.525 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000034868730 1072825374 /nfs/dbraw/zinc/82/53/74/1072825374.db2.gz GTJWSGHJAOAMRU-IGQJNMTBSA-N 0 0 524.448 5.984 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCc1ccc(F)cc1 ZINC000685945455 1072827782 /nfs/dbraw/zinc/82/77/82/1072827782.db2.gz REBCPWUVOMEHTQ-SQEPBCRTSA-N 0 0 595.815 8.343 50 30 KKEARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)n4cncn4)CC[C@]23C)C1(C)C ZINC000685945491 1072828295 /nfs/dbraw/zinc/82/82/95/1072828295.db2.gz XECAJOVXAQOWJE-OXMXYBLYSA-N 0 0 563.783 6.687 50 30 KKEARN CCCCCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(C)c2OS(=O)(=O)c2ccc(Cl)cc2)NC1=O ZINC000245264198 1072830185 /nfs/dbraw/zinc/83/01/85/1072830185.db2.gz BZNDPNCBNAXKON-DEOSSOPVSA-N 0 0 564.173 6.868 50 30 KKEARN CCCCCCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000245266996 1072830878 /nfs/dbraw/zinc/83/08/78/1072830878.db2.gz LAZJDBKEJMLVRR-HHHXNRCGSA-N 0 0 729.601 8.992 50 30 KKEARN CCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000245284899 1072831183 /nfs/dbraw/zinc/83/11/83/1072831183.db2.gz USAQALMFIBNDJB-HXUWFJFHSA-N 0 0 631.412 6.261 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095100591 1072832819 /nfs/dbraw/zinc/83/28/19/1072832819.db2.gz VVZJMRXXDRGRBP-UHFFFAOYSA-N 0 0 627.379 8.490 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000096022621 1072833485 /nfs/dbraw/zinc/83/34/85/1072833485.db2.gz VCMCSEBRIHMLTE-HOELXUHLSA-N 0 0 572.712 8.858 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F ZINC000097966946 1072836542 /nfs/dbraw/zinc/83/65/42/1072836542.db2.gz VTGQLWHYQSPQKT-SSEXGKCCSA-N 0 0 600.613 9.648 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000097993444 1072841652 /nfs/dbraw/zinc/84/16/52/1072841652.db2.gz UUJWEKOPIYOPFR-PXNMLYILSA-N 0 0 510.637 5.981 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097999821 1072842034 /nfs/dbraw/zinc/84/20/34/1072842034.db2.gz IPKYEGBPJCQQCX-GNTYDJQKSA-N 0 0 610.795 8.491 50 30 KKEARN COc1cc(-c2csc(=NC3CCCCC3)n2N=C(C)c2ccc3ccccc3c2O)cc(OC)c1OC ZINC000254287795 1072843384 /nfs/dbraw/zinc/84/33/84/1072843384.db2.gz AVWOTIZBSSJPPI-UHFFFAOYSA-N 0 0 531.678 6.607 50 30 KKEARN COc1cc(C=Nn2c(-c3ccc(-c4ccccc4)cc3)csc2=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OCC(C)C ZINC000254293273 1072844387 /nfs/dbraw/zinc/84/43/87/1072844387.db2.gz YACASQOLBNOGQM-UHFFFAOYSA-N 0 0 682.868 7.063 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000254295795 1072844680 /nfs/dbraw/zinc/84/46/80/1072844680.db2.gz FDZRLEVKTGECGM-UHFFFAOYSA-N 0 0 515.354 6.001 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000254378446 1072849992 /nfs/dbraw/zinc/84/99/92/1072849992.db2.gz GEAZDBBXEHGVQQ-WBLURPLBSA-N 0 0 512.635 7.011 50 30 KKEARN CCNC(=S)Nc1ccccc1N=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000254384565 1072850925 /nfs/dbraw/zinc/85/09/25/1072850925.db2.gz BQYWAEVEQCIZRQ-KZCFMRNOSA-N 0 0 546.656 6.939 50 30 KKEARN Cc1ccc(N=C2S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000254482271 1072857371 /nfs/dbraw/zinc/85/73/71/1072857371.db2.gz LEKMJBSWNSBZLA-VWDNJRNHSA-N 0 0 551.693 8.480 50 30 KKEARN Cc1ccc(N=Cc2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=Nc3ccc(C)cc3)cc2)cc1 ZINC000254490499 1072858172 /nfs/dbraw/zinc/85/81/72/1072858172.db2.gz ZRFJOEXGZWPXHA-UHFFFAOYSA-N 0 0 596.738 9.510 50 30 KKEARN O=C1/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000254510972 1072861239 /nfs/dbraw/zinc/86/12/39/1072861239.db2.gz PQZHFPRQZWKASD-LIWUIDKPSA-N 0 0 532.650 7.133 50 30 KKEARN O=C(CON=Cc1cc(Br)ccc1O)N(Cc1ccccc1)[C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000254550481 1072863399 /nfs/dbraw/zinc/86/33/99/1072863399.db2.gz QNDSRYMTYBBPJY-MUUNZHRXSA-N 0 0 561.451 6.657 50 30 KKEARN COc1ccc(-c2csc(=NC3CCCCC3)n2N=Cc2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000254578067 1072865196 /nfs/dbraw/zinc/86/51/96/1072865196.db2.gz WPEUGRDBMDDCMO-UHFFFAOYSA-N 0 0 547.702 6.630 50 30 KKEARN Cc1ccc(S(=O)(=O)N(c2ccc(C(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(F)F)cc1 ZINC000254583736 1072865215 /nfs/dbraw/zinc/86/52/15/1072865215.db2.gz SPWXBMUJRVREPP-UHFFFAOYSA-N 0 0 519.486 5.065 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(N=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c1 ZINC000254625372 1072868053 /nfs/dbraw/zinc/86/80/53/1072868053.db2.gz QVFSSPWBESMHBS-UHFFFAOYSA-N 0 0 526.618 5.427 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc3ccccc3c2OC(F)F)c([N+](=O)[O-])c1 ZINC000254745898 1072875701 /nfs/dbraw/zinc/87/57/01/1072875701.db2.gz DBYLAFWBNFQMOI-UHFFFAOYSA-N 0 0 506.531 5.216 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1C=NNS(=O)(=O)c1ccc(C)cc1 ZINC000254756707 1072876890 /nfs/dbraw/zinc/87/68/90/1072876890.db2.gz BVFTYSGFWLBYLL-UHFFFAOYSA-N 0 0 519.677 5.562 50 30 KKEARN Cc1c(N=c2scc(-c3ccc(C4CCCCC4)cc3)n2N=Cc2cccnc2)c(=O)n(-c2ccccc2)n1C ZINC000254765630 1072878411 /nfs/dbraw/zinc/87/84/11/1072878411.db2.gz GIQAXGMBIUPEDQ-UHFFFAOYSA-N 0 0 548.716 6.572 50 30 KKEARN Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)c1 ZINC000254843238 1072884271 /nfs/dbraw/zinc/88/42/71/1072884271.db2.gz HCROTQTXLQDXPC-UHFFFAOYSA-N 0 0 510.685 5.440 50 30 KKEARN CC[C@H]1CSC(=Nc2ccc(C(C)=O)cc2)N1C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000254866903 1072886343 /nfs/dbraw/zinc/88/63/43/1072886343.db2.gz VUSLOIJFDICRNN-DEOSSOPVSA-N 0 0 535.691 5.760 50 30 KKEARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1c(C)nn2c1nc(Sc1nc3ccccc3s1)c1ccccc12 ZINC000254875638 1072888126 /nfs/dbraw/zinc/88/81/26/1072888126.db2.gz AVKMDNDLAQTPBO-UHFFFAOYSA-N 0 0 646.780 6.337 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cccc(N=C3C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)c2)cc1 ZINC000254877331 1072888491 /nfs/dbraw/zinc/88/84/91/1072888491.db2.gz GPXVXPDRLPALHB-PMERELPUSA-N 0 0 510.615 5.944 50 30 KKEARN CCOc1ccc(N=c2scc(-c3ccc4c(c3)OCCO4)n2N=Cc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1 ZINC000254877652 1072888871 /nfs/dbraw/zinc/88/88/71/1072888871.db2.gz ZBYZALNIXMJAQP-UHFFFAOYSA-N 0 0 678.811 7.452 50 30 KKEARN C#Cc1cccc(N2C(=O)c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc6c(c5)C(=O)N(c5cccc(C#C)c5)C6=O)cc4)cc3C2=O)c1 ZINC000150402735 1072902350 /nfs/dbraw/zinc/90/23/50/1072902350.db2.gz UYUHTWJBRHUFSL-UHFFFAOYSA-N 0 0 656.606 5.689 50 30 KKEARN C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3[C@H]1C)[C@H](F)C[C@@H]1[C@@]2(C)C/C(=C/n3ccnc3)C(=O)C(C)(C)[C@@H]2CC[C@]14C ZINC000685945503 529749838 /nfs/dbraw/zinc/74/98/38/529749838.db2.gz YVWPSUXLJFKQQW-BTSPJQTJSA-N 0 0 550.759 7.268 50 30 KKEARN CO[C@@H]1O[C@@](OC)([C@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255221936 291544265 /nfs/dbraw/zinc/54/42/65/291544265.db2.gz JVUGRGHUBITBGR-ICHSNPBQSA-N 0 0 514.747 6.690 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000000628459 193858634 /nfs/dbraw/zinc/85/86/34/193858634.db2.gz SNKRYBASQJPAIH-UHFFFAOYSA-N 0 0 507.637 5.408 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@@H](c1ccco1)C[C@H]3C(F)(F)F)CCCC2 ZINC000000646956 193863257 /nfs/dbraw/zinc/86/32/57/193863257.db2.gz UCWNDNGCNDKZKF-DOMZBBRYSA-N 0 0 540.365 5.963 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(F)cc2)cc1OC ZINC000000648353 193865259 /nfs/dbraw/zinc/86/52/59/193865259.db2.gz GQSIIONMXGNDDN-WBBHLRKXSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000000648077 193864806 /nfs/dbraw/zinc/86/48/06/193864806.db2.gz IKNPPORRVJNXHZ-NGOKVRLYSA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650049 193868052 /nfs/dbraw/zinc/86/80/52/193868052.db2.gz OVAJSYMFHOUOGF-RCRUUEGKSA-N 0 0 563.647 5.199 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000000650216 193868189 /nfs/dbraw/zinc/86/81/89/193868189.db2.gz PBEXXAINDIIADU-QXNWPYRLSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650393 193868212 /nfs/dbraw/zinc/86/82/12/193868212.db2.gz BSNIVDOUILFARS-JQJBXXCASA-N 0 0 597.664 5.743 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649471 193867076 /nfs/dbraw/zinc/86/70/76/193867076.db2.gz CLISYCFXCUKRNB-RUZDIDTESA-N 0 0 515.528 5.824 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000000649685 193867595 /nfs/dbraw/zinc/86/75/95/193867595.db2.gz JFSQIPRICPAPOJ-QLXKLKPCSA-N 0 0 586.479 5.494 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197141 193870591 /nfs/dbraw/zinc/87/05/91/193870591.db2.gz MYLKHQOBMRBPEZ-PBBNMVCDSA-N 0 0 519.638 5.663 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2)cc1 ZINC000006245730 193876654 /nfs/dbraw/zinc/87/66/54/193876654.db2.gz UOCYXOUPROACSO-UHFFFAOYSA-N 0 0 523.746 8.182 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(Br)cc3)NC2=O)cc(Br)c1OC ZINC000019727578 193883297 /nfs/dbraw/zinc/88/32/97/193883297.db2.gz QBYVDXGPXIFDST-MHWRWJLKSA-N 0 0 512.223 5.511 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019762578 193884106 /nfs/dbraw/zinc/88/41/06/193884106.db2.gz LQIXZGMQNMHKER-JHPRIADQSA-N 0 0 510.030 6.061 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004067507 291943533 /nfs/dbraw/zinc/94/35/33/291943533.db2.gz QFFUMWYJDFGFQK-CMJOXMDJSA-N 0 0 546.845 5.741 50 30 biogenic,in-vitro KKEARN Cc1ccccc1NC=C1C(=O)C(=O)C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)C(=CNc3ccccc3C)C(=O)C(=O)C4C(C)C)c(O)c21 ZINC000150341874 291989519 /nfs/dbraw/zinc/98/95/19/291989519.db2.gz MCXDMGNXXINCKU-NAZWXXJZSA-N 0 0 696.844 9.920 50 30 biogenic,in-vitro KKEARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@@](F)(Br)C(F)(F)[C@](F)(Cl)Br ZINC000095676958 553707396 /nfs/dbraw/zinc/70/73/96/553707396.db2.gz QJQQQFAGKHFLNC-IJPDMPKCSA-N 0 0 553.666 6.467 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccs2)cc1OC ZINC000000626234 551503717 /nfs/dbraw/zinc/50/37/17/551503717.db2.gz RIXDLINHMGIYCY-QFIPXVFZSA-N 0 0 528.424 5.349 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccs2)cc1OC ZINC000000626241 551503770 /nfs/dbraw/zinc/50/37/70/551503770.db2.gz RIXDLINHMGIYCY-JOCHJYFZSA-N 0 0 528.424 5.349 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000000630902 551505057 /nfs/dbraw/zinc/50/50/57/551505057.db2.gz NUVKTOXRCOATKA-JWIGPWBQSA-N 0 0 519.395 6.166 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@@H](c1ccco1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000000646958 551507884 /nfs/dbraw/zinc/50/78/84/551507884.db2.gz UCWNDNGCNDKZKF-IUODEOHRSA-N 0 0 540.365 5.963 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000000647387 551508357 /nfs/dbraw/zinc/50/83/57/551508357.db2.gz QRMXUSYMBVBOCK-DJUQAAIZSA-N 0 0 529.633 5.858 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000647887 551508867 /nfs/dbraw/zinc/50/88/67/551508867.db2.gz WAZPUEUUPMCZQK-PRAQEBQASA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2Br)cc1OC ZINC000000648035 551509073 /nfs/dbraw/zinc/50/90/73/551509073.db2.gz PEAINFBOUYIZPL-QYBDOPJKSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(F)cc2)cc1OC ZINC000000647980 551509122 /nfs/dbraw/zinc/50/91/22/551509122.db2.gz YYJNCXIYHAURDF-WTYVLRPYSA-N 0 0 505.586 5.690 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648096 551509383 /nfs/dbraw/zinc/50/93/83/551509383.db2.gz YHCVXPQSPBKNAE-UVDDSOTQSA-N 0 0 545.676 6.338 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(F)cc3)c2C#N)cc1OC ZINC000000648215 551509542 /nfs/dbraw/zinc/50/95/42/551509542.db2.gz TXHQXTZZMFZAIH-UHFFFAOYSA-N 0 0 513.594 6.483 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2F)cc1OC ZINC000000648411 551509563 /nfs/dbraw/zinc/50/95/63/551509563.db2.gz QJNPOUHLRDNJIG-SLGOVJDISA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000648366 551509566 /nfs/dbraw/zinc/50/95/66/551509566.db2.gz GQSIIONMXGNDDN-DLLPINGYSA-N 0 0 541.619 5.990 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000000648495 551509918 /nfs/dbraw/zinc/50/99/18/551509918.db2.gz AELFOMNPMYSOTC-ODIGAKIWSA-N 0 0 521.679 6.129 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648474 551509931 /nfs/dbraw/zinc/50/99/31/551509931.db2.gz XEDLLLVBUUKNNG-SMSORMJASA-N 0 0 533.665 6.052 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000000648502 551509954 /nfs/dbraw/zinc/50/99/54/551509954.db2.gz QOQNXGSQJPORBG-HSZRJFAPSA-N 0 0 500.389 5.398 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2Cl)cc1OC ZINC000000648486 551509960 /nfs/dbraw/zinc/50/99/60/551509960.db2.gz QZXHWSLHSUMWKQ-XHCCPWGMSA-N 0 0 510.030 5.918 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000000648758 551510112 /nfs/dbraw/zinc/51/01/12/551510112.db2.gz ZILZZZXTOXWLGP-XMMPIXPASA-N 0 0 546.845 5.831 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000648972 551510451 /nfs/dbraw/zinc/51/04/51/551510451.db2.gz MMDHJBFILVAKNA-LMKMVOKYSA-N 0 0 572.452 5.105 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000648980 551510487 /nfs/dbraw/zinc/51/04/87/551510487.db2.gz MMDHJBFILVAKNA-CPJLOUKISA-N 0 0 572.452 5.105 50 30 KKEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1ccc(Cn3cc(Br)cn3)cc1)CCCCC2 ZINC000000649339 551510916 /nfs/dbraw/zinc/51/09/16/551510916.db2.gz MQYVGDPQCSRTPF-UHFFFAOYSA-N 0 0 514.474 5.023 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649404 551511005 /nfs/dbraw/zinc/51/10/05/551511005.db2.gz DJHXYBNVYWCTLM-DEOSSOPVSA-N 0 0 512.400 5.178 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649572 551511226 /nfs/dbraw/zinc/51/12/26/551511226.db2.gz FYRANPVDNAPQRM-IIMAJNMQSA-N 0 0 547.648 5.656 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649519 551511241 /nfs/dbraw/zinc/51/12/41/551511241.db2.gz NTDQERMYUJOQEX-JOCHJYFZSA-N 0 0 517.500 5.147 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649628 551511348 /nfs/dbraw/zinc/51/13/48/551511348.db2.gz SWYYJDJAHVUWGP-VKGTZQKMSA-N 0 0 584.507 6.036 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649847 551511706 /nfs/dbraw/zinc/51/17/06/551511706.db2.gz HNPQHXXQTYAYOU-IPBJYNAHSA-N 0 0 555.627 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/nfs/dbraw/zinc/52/30/84/551523084.db2.gz TVLKHBHGDUHJNK-YKGWIAGDSA-N 0 0 525.601 6.031 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2Cl)cc1OC ZINC000000679166 551523237 /nfs/dbraw/zinc/52/32/37/551523237.db2.gz SFIRFJDFDLLAFA-HMILPKGGSA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2F)cc1OC ZINC000000679216 551523243 /nfs/dbraw/zinc/52/32/43/551523243.db2.gz HFRTYPILXWSMFH-OLILMLBXSA-N 0 0 519.613 6.080 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000679203 551523275 /nfs/dbraw/zinc/52/32/75/551523275.db2.gz MMJYQNSCKSUBBC-HMILPKGGSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000681741 551524571 /nfs/dbraw/zinc/52/45/71/551524571.db2.gz QSGYSFROCRAIND-QMTYFTJSSA-N 0 0 521.411 6.151 50 30 KKEARN CCOc1ccccc1[C@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccc(OC)cc2)C1 ZINC000000681857 551524677 /nfs/dbraw/zinc/52/46/77/551524677.db2.gz RHXKCELLJHEEHF-WHLCRQNOSA-N 0 0 536.550 6.557 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC000000681831 551524767 /nfs/dbraw/zinc/52/47/67/551524767.db2.gz BRHZQUUPHVDNJY-SSOJOUAXSA-N 0 0 541.913 6.711 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1 ZINC000000684593 551525447 /nfs/dbraw/zinc/52/54/47/551525447.db2.gz SZZCEYOHEDJLCI-UHFFFAOYSA-N 0 0 529.633 6.113 50 30 KKEARN COc1ccc(NC(=O)CSc2nc3c(c(-c4ccc(OC)cc4)c2C#N)-c2ccccc2C3=O)cc1 ZINC000000688124 551526337 /nfs/dbraw/zinc/52/63/37/551526337.db2.gz QZCRTEWUEUNHIN-UHFFFAOYSA-N 0 0 507.571 5.580 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000000689411 551527019 /nfs/dbraw/zinc/52/70/19/551527019.db2.gz QYVBKBLHFNRWNL-UHFFFAOYSA-N 0 0 522.346 6.141 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000702556 551529582 /nfs/dbraw/zinc/52/95/82/551529582.db2.gz BUPGSFIOHWNZNS-HHHXNRCGSA-N 0 0 584.650 6.033 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000000702248 551529642 /nfs/dbraw/zinc/52/96/42/551529642.db2.gz PVTSTXQJIOKOPS-SSEXGKCCSA-N 0 0 580.637 5.773 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000702748 551529722 /nfs/dbraw/zinc/52/97/22/551529722.db2.gz CPVIOIUNVGCLJS-XTEPFMGCSA-N 0 0 513.590 5.422 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000703083 551530242 /nfs/dbraw/zinc/53/02/42/551530242.db2.gz BSWBDNYVVBLDHW-VKGTZQKMSA-N 0 0 531.605 5.815 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000702996 551530291 /nfs/dbraw/zinc/53/02/91/551530291.db2.gz WIHZESCZGYXRMB-HHHXNRCGSA-N 0 0 515.562 6.238 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000703086 551530701 /nfs/dbraw/zinc/53/07/01/551530701.db2.gz BSWBDNYVVBLDHW-WHLCRQNOSA-N 0 0 531.605 5.815 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000000703115 551530732 /nfs/dbraw/zinc/53/07/32/551530732.db2.gz CYYFCIWNGWOESQ-RUZDIDTESA-N 0 0 526.570 6.238 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)[C@@H](c1cc(Br)c(Br)o1)Nc1ccc3ccccc3c12 ZINC000000708640 551532406 /nfs/dbraw/zinc/53/24/06/551532406.db2.gz WBBVHFGKVXQNTL-NRFANRHFSA-N 0 0 501.218 7.267 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000000708842 551532644 /nfs/dbraw/zinc/53/26/44/551532644.db2.gz HOMBNCIAELSWOR-QWXGXRTQSA-N 0 0 523.814 6.811 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000709736 551532901 /nfs/dbraw/zinc/53/29/01/551532901.db2.gz NMRUPRKQZFLKFN-DEXQXJORSA-N 0 0 515.522 5.320 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CC1 ZINC000000709608 551532929 /nfs/dbraw/zinc/53/29/29/551532929.db2.gz KDYMHAUHMVHDIN-WKRVVKTRSA-N 0 0 524.617 6.389 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000000710638 551533133 /nfs/dbraw/zinc/53/31/33/551533133.db2.gz GATNHYRPUOFIGS-RBSBEOHCSA-N 0 0 579.491 6.853 50 30 biogenic,in-vitro KKEARN CC(=O)Oc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000000712257 551533422 /nfs/dbraw/zinc/53/34/22/551533422.db2.gz VDZRLXSTMRSYHO-UHFFFAOYSA-N 0 0 566.286 6.537 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 ZINC000000713966 551533920 /nfs/dbraw/zinc/53/39/20/551533920.db2.gz DSXXJIVLQZHDIK-LJQANCHMSA-N 0 0 507.837 5.508 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718124 551535063 /nfs/dbraw/zinc/53/50/63/551535063.db2.gz SXGANHMVGCHPAB-NGQVCNFZSA-N 0 0 506.602 6.092 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000000718273 551535208 /nfs/dbraw/zinc/53/52/08/551535208.db2.gz CLXOGWXCTKHVCL-WBBHLRKXSA-N 0 0 508.618 6.420 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000000719688 551536097 /nfs/dbraw/zinc/53/60/97/551536097.db2.gz QMKIHUCOMSISGT-SSEXGKCCSA-N 0 0 555.675 6.235 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1O ZINC000000719932 551536619 /nfs/dbraw/zinc/53/66/19/551536619.db2.gz NPFSRCMXDREDAL-LDLUVENISA-N 0 0 516.594 5.796 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720154 551536861 /nfs/dbraw/zinc/53/68/61/551536861.db2.gz DJXXFQVNMAHYHH-HSZRJFAPSA-N 0 0 508.368 5.645 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720348 551537105 /nfs/dbraw/zinc/53/71/05/551537105.db2.gz OVJISNFBOFEAQE-HSZRJFAPSA-N 0 0 536.378 5.336 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000000729500 551539020 /nfs/dbraw/zinc/53/90/20/551539020.db2.gz HYGLBOITTUWDHO-YMGMXPECSA-N 0 0 521.013 6.441 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Br)c1OC ZINC000000729426 551539048 /nfs/dbraw/zinc/53/90/48/551539048.db2.gz UAEXONXZJISCCR-XRHLQHRESA-N 0 0 519.439 6.754 50 30 KKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000729519 551539436 /nfs/dbraw/zinc/53/94/36/551539436.db2.gz PCAASQZZIAREET-JCOAXYOVSA-N 0 0 527.665 6.538 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1OC ZINC000000729528 551539466 /nfs/dbraw/zinc/53/94/66/551539466.db2.gz GWFQPXVRAYVOEK-BZQUYTCOSA-N 0 0 525.468 6.897 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000801139 551543363 /nfs/dbraw/zinc/54/33/63/551543363.db2.gz GUIXYBMKGOWEGK-UVDDSOTQSA-N 0 0 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FSPRVGRWAWAGQG-UHFFFAOYSA-N 0 0 526.087 5.783 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000949840 551588880 /nfs/dbraw/zinc/58/88/80/551588880.db2.gz XWTCBTUBGJZVAG-UHFFFAOYSA-N 0 0 542.086 5.580 50 30 KKEARN COc1ccccc1[C@H]1c2c(=O)[nH]c(SCc3ccccc3Cl)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000958604 551589850 /nfs/dbraw/zinc/58/98/50/551589850.db2.gz NJYZNHQRDVGEQS-OAQYLSRUSA-N 0 0 508.043 6.337 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)O[C@H](C)CC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000000976855 551591089 /nfs/dbraw/zinc/59/10/89/551591089.db2.gz UTYBJLHSLRKEDE-VPIDHBOOSA-N 0 0 519.638 5.806 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c(Br)c3n2)cc1 ZINC000000995778 551594285 /nfs/dbraw/zinc/59/42/85/551594285.db2.gz NYPHIIPLXOLWLP-LBPRGKRZSA-N 0 0 590.425 6.496 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3n2)cc1 ZINC000000997749 551595102 /nfs/dbraw/zinc/59/51/02/551595102.db2.gz 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/nfs/dbraw/zinc/60/38/97/551603897.db2.gz VAQRYKROYDUKBL-KDYSTLNUSA-N 0 0 514.603 5.804 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc(Br)c1O ZINC000001077112 551604535 /nfs/dbraw/zinc/60/45/35/551604535.db2.gz FZTRBCOBZGCJTQ-XGCWNURASA-N 0 0 535.438 6.542 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001077356 551604851 /nfs/dbraw/zinc/60/48/51/551604851.db2.gz JLANFYPDAWHHAF-RXAIFQJESA-N 0 0 537.012 6.060 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001077359 551604868 /nfs/dbraw/zinc/60/48/68/551604868.db2.gz JLANFYPDAWHHAF-QZXCRCNTSA-N 0 0 537.012 6.060 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000001077507 551604902 /nfs/dbraw/zinc/60/49/02/551604902.db2.gz DUQYBKAYKUKUEF-SLQAJWMNSA-N 0 0 500.595 6.091 50 30 KKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1coc3c(Cl)cc(Cl)cc3c1=O)Nc1ccccc1N2 ZINC000001077648 551604909 /nfs/dbraw/zinc/60/49/09/551604909.db2.gz DPIKRURGINQRJE-OZAJXLCCSA-N 0 0 509.414 7.141 50 30 KKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1coc3c(Cl)cc(Cl)cc3c1=O)Nc1ccccc1N2 ZINC000001077653 551604911 /nfs/dbraw/zinc/60/49/11/551604911.db2.gz DPIKRURGINQRJE-RZFZLAGVSA-N 0 0 509.414 7.141 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000001082089 551606216 /nfs/dbraw/zinc/60/62/16/551606216.db2.gz BSUISPGUVCRMIN-UKJJDJLKSA-N 0 0 567.638 5.734 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000001089421 551606956 /nfs/dbraw/zinc/60/69/56/551606956.db2.gz ASMWQSGRKQBBQC-QGZVFWFLSA-N 0 0 538.370 5.887 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)Nc3ccccc3F)c2C#N)cc1OC ZINC000001104230 551609447 /nfs/dbraw/zinc/60/94/47/551609447.db2.gz KNUDUMKVJZCRMN-UHFFFAOYSA-N 0 0 505.596 6.236 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000001103828 551609476 /nfs/dbraw/zinc/60/94/76/551609476.db2.gz UMFNMKLDGFZXDF-JCOAXYOVSA-N 0 0 562.622 5.771 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000001103826 551609490 /nfs/dbraw/zinc/60/94/90/551609490.db2.gz UMFNMKLDGFZXDF-BGOLNKOXSA-N 0 0 562.622 5.771 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001107207 551610485 /nfs/dbraw/zinc/61/04/85/551610485.db2.gz WWQPTOWWYNKAGG-DEOSSOPVSA-N 0 0 510.974 5.604 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000001108680 551610689 /nfs/dbraw/zinc/61/06/89/551610689.db2.gz UMNZQFCATHKRPD-DEOSSOPVSA-N 0 0 503.507 5.220 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001111139 551611344 /nfs/dbraw/zinc/61/13/44/551611344.db2.gz ZBHHUQMYGXTWTB-URAOTHONSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000001111162 551611352 /nfs/dbraw/zinc/61/13/52/551611352.db2.gz QXNFUQRIHFCZPE-XBBWARJSSA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000001111164 551611356 /nfs/dbraw/zinc/61/13/56/551611356.db2.gz QXNFUQRIHFCZPE-SLQAJWMNSA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001111142 551611373 /nfs/dbraw/zinc/61/13/73/551611373.db2.gz BYNGKQIGCKRECE-JPQMRUPTSA-N 0 0 568.670 6.030 50 30 KKEARN O=C(COc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)Nc1ccc(Cl)cc1 ZINC000001113034 551611760 /nfs/dbraw/zinc/61/17/60/551611760.db2.gz CLEHFACPCQLHFK-UHFFFAOYSA-N 0 0 511.405 5.712 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)s1 ZINC000001122702 551613278 /nfs/dbraw/zinc/61/32/78/551613278.db2.gz NWBKQIKQKCAXLQ-WRGVRERRSA-N 0 0 544.673 6.083 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000001123168 551613415 /nfs/dbraw/zinc/61/34/15/551613415.db2.gz AIWBEWWMLSPFKF-ZDUSSCGKSA-N 0 0 508.406 5.132 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001130079 551615374 /nfs/dbraw/zinc/61/53/74/551615374.db2.gz PETOHSRCCALPSR-HRFSGMKKSA-N 0 0 514.534 5.301 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000001132800 551616344 /nfs/dbraw/zinc/61/63/44/551616344.db2.gz RNAXQDLMVGWBAM-QXNWPYRLSA-N 0 0 554.643 5.230 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000001140639 551616898 /nfs/dbraw/zinc/61/68/98/551616898.db2.gz HTLHPIAZRCNFJV-WENCNXQZSA-N 0 0 575.683 5.888 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000001148969 551619068 /nfs/dbraw/zinc/61/90/68/551619068.db2.gz GLYFMFTXGWLWKG-OYHNWAKOSA-N 0 0 502.430 5.444 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000001148976 551619076 /nfs/dbraw/zinc/61/90/76/551619076.db2.gz GLYFMFTXGWLWKG-IVZQSRNASA-N 0 0 502.430 5.444 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Br)c2)cc1OC ZINC000001177508 551620742 /nfs/dbraw/zinc/62/07/42/551620742.db2.gz FZNDIGWTTRIPRM-DNOBIOAJSA-N 0 0 505.412 6.446 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001199019 551623093 /nfs/dbraw/zinc/62/30/93/551623093.db2.gz BTEAKCNBQBUOTB-QFIPXVFZSA-N 0 0 507.340 5.178 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000001201364 551623308 /nfs/dbraw/zinc/62/33/08/551623308.db2.gz QAFILSKSPCGJCJ-CJAUYULYSA-N 0 0 540.454 5.724 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000001201218 551623327 /nfs/dbraw/zinc/62/33/27/551623327.db2.gz ZZARJJNPCGSBSS-WTYVLRPYSA-N 0 0 505.611 5.273 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001203978 551624238 /nfs/dbraw/zinc/62/42/38/551624238.db2.gz COJIYHDJZSNXQY-MUAVYFROSA-N 0 0 514.021 6.193 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000001220956 551628003 /nfs/dbraw/zinc/62/80/03/551628003.db2.gz GFOWUTQLFNYSQE-HHHXNRCGSA-N 0 0 503.595 5.010 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000001220882 551628023 /nfs/dbraw/zinc/62/80/23/551628023.db2.gz FSSTVTSRHRIJES-VWLOTQADSA-N 0 0 526.427 5.220 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(C)cc3)C2)cc(OC)c1OC ZINC000001250329 551632599 /nfs/dbraw/zinc/63/25/99/551632599.db2.gz ZYFUAQQTTQNKKR-GZGVDWRWSA-N 0 0 574.677 7.235 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1CN1CCN(c2ccccc2F)CC1 ZINC000001259810 551633568 /nfs/dbraw/zinc/63/35/68/551633568.db2.gz PYPAFKIDEFXUPY-UHFFFAOYSA-N 0 0 572.721 6.557 50 30 KKEARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000001261120 551633597 /nfs/dbraw/zinc/63/35/97/551633597.db2.gz JWHPNEHFOAMISW-HMILPKGGSA-N 0 0 536.550 6.557 50 30 KKEARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000001261122 551633617 /nfs/dbraw/zinc/63/36/17/551633617.db2.gz JWHPNEHFOAMISW-WHLCRQNOSA-N 0 0 536.550 6.557 50 30 KKEARN COc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001323131 551642145 /nfs/dbraw/zinc/64/21/45/551642145.db2.gz LWEDEMYOOUAYRQ-ROTAYESASA-N 0 0 550.611 6.520 50 30 biogenic KKEARN Cc1c(/C(=N/OC(=O)C2CC2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000001405880 551661830 /nfs/dbraw/zinc/66/18/30/551661830.db2.gz CPTOIZXMZOTVOS-IADYIPOJSA-N 0 0 508.493 5.215 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001409627 551664166 /nfs/dbraw/zinc/66/41/66/551664166.db2.gz KFGVICPIJUBQSK-OOXUFLSTSA-N 0 0 544.651 7.227 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001413416 551665412 /nfs/dbraw/zinc/66/54/12/551665412.db2.gz JQWFTZUTKODZRC-VWLOTQADSA-N 0 0 531.406 5.760 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000001413420 551665433 /nfs/dbraw/zinc/66/54/33/551665433.db2.gz CVPUINFFDBTLKT-DEOSSOPVSA-N 0 0 519.370 5.891 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000001413459 551665732 /nfs/dbraw/zinc/66/57/32/551665732.db2.gz AGAHUZXGOMUBTM-XMMPIXPASA-N 0 0 509.364 6.435 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1 ZINC000001413535 551665960 /nfs/dbraw/zinc/66/59/60/551665960.db2.gz DRHSNNFCJKLNPB-RUZDIDTESA-N 0 0 531.406 5.760 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001413509 551665973 /nfs/dbraw/zinc/66/59/73/551665973.db2.gz IQAICBGMIWHYDH-MUUNZHRXSA-N 0 0 508.618 6.295 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000001413519 551666015 /nfs/dbraw/zinc/66/60/15/551666015.db2.gz ITSLMYJDXCBSGL-RUZDIDTESA-N 0 0 521.400 6.304 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413521 551666030 /nfs/dbraw/zinc/66/60/30/551666030.db2.gz VUYKZUPLIVQULV-HHHXNRCGSA-N 0 0 512.562 5.102 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000001414749 551666415 /nfs/dbraw/zinc/66/64/15/551666415.db2.gz JOSTVVMDNIUPDG-SANMLTNESA-N 0 0 500.526 5.145 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(OC)c2OC)sc2c1CCCC2 ZINC000001423016 551668757 /nfs/dbraw/zinc/66/87/57/551668757.db2.gz BUDTYSSCJDVLQU-VWLOTQADSA-N 0 0 578.731 6.064 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(OC)c2OC)sc2c1CCCC2 ZINC000001423166 551669051 /nfs/dbraw/zinc/66/90/51/551669051.db2.gz BHIIEZJKBGWWIV-DEOSSOPVSA-N 0 0 550.677 5.427 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000001427277 551669428 /nfs/dbraw/zinc/66/94/28/551669428.db2.gz DPRVUXBHNBYQCX-WXTAPIANSA-N 0 0 500.620 5.766 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001426923 551669449 /nfs/dbraw/zinc/66/94/49/551669449.db2.gz HURGMZSYIWUCRO-QLXKLKPCSA-N 0 0 502.567 5.616 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001426922 551669465 /nfs/dbraw/zinc/66/94/65/551669465.db2.gz HURGMZSYIWUCRO-MRDQGFSESA-N 0 0 502.567 5.616 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000001431239 551670218 /nfs/dbraw/zinc/67/02/18/551670218.db2.gz HSUUXWMRFCQIIW-DNOBIOAJSA-N 0 0 521.610 5.034 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001434711 551670655 /nfs/dbraw/zinc/67/06/55/551670655.db2.gz MEZHBYFCCZVRLA-YVORESIASA-N 0 0 581.463 6.169 50 30 KKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000001434717 551670967 /nfs/dbraw/zinc/67/09/67/551670967.db2.gz WCJTZSUFEHSVDU-GDJIYFAZSA-N 0 0 514.578 5.479 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cccc(O)c2)cc1 ZINC000001434735 551671041 /nfs/dbraw/zinc/67/10/41/551671041.db2.gz KDNNIPZKTNDNEQ-HRFSGMKKSA-N 0 0 501.604 5.567 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2coc3ccc(Cl)cc3c2=O)c1 ZINC000001434796 551671132 /nfs/dbraw/zinc/67/11/32/551671132.db2.gz LALOPDQJFCNSKD-ADXZGYQBSA-N 0 0 560.046 6.302 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001438147 551671655 /nfs/dbraw/zinc/67/16/55/551671655.db2.gz YXPNQFSFFHALMC-SOKVYYICSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001438138 551671676 /nfs/dbraw/zinc/67/16/76/551671676.db2.gz NLZXAWLPYNMGOV-HPGBDJQBSA-N 0 0 565.464 6.463 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438575 551672002 /nfs/dbraw/zinc/67/20/02/551672002.db2.gz DQLVSROYLVBNAO-MMTVBGGISA-N 0 0 523.610 5.960 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCc4ccccc4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000001438875 551672421 /nfs/dbraw/zinc/67/24/21/551672421.db2.gz IFBHOLABXZQMQW-KCWXNJEJSA-N 0 0 537.637 6.268 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001439742 551672431 /nfs/dbraw/zinc/67/24/31/551672431.db2.gz HNVAEUKDYVXWSU-KCWXNJEJSA-N 0 0 559.684 5.921 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)C2)cc1OC ZINC000001440837 551672976 /nfs/dbraw/zinc/67/29/76/551672976.db2.gz KJIIWXCQRNKDGE-UKPGIYTDSA-N 0 0 554.643 7.119 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445950 551674061 /nfs/dbraw/zinc/67/40/61/551674061.db2.gz DFQDSECIOUZPGJ-GOSISDBHSA-N 0 0 515.582 6.377 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445846 551674091 /nfs/dbraw/zinc/67/40/91/551674091.db2.gz AVZLCFAMJFUZIO-GOSISDBHSA-N 0 0 533.572 6.516 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001446893 551674196 /nfs/dbraw/zinc/67/41/96/551674196.db2.gz JFKKVWKRAIPTOI-XMMPIXPASA-N 0 0 546.601 5.422 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(Br)cc2OC)cc1 ZINC000001448313 551674599 /nfs/dbraw/zinc/67/45/99/551674599.db2.gz LSMDKTCGZNSBQS-UULLZXFKSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000001451425 551675992 /nfs/dbraw/zinc/67/59/92/551675992.db2.gz YSVCNPPUYNKYTM-RUZDIDTESA-N 0 0 544.629 6.030 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001451411 551675997 /nfs/dbraw/zinc/67/59/97/551675997.db2.gz MTBHJPZZOUEDQD-RUZDIDTESA-N 0 0 544.629 6.058 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001451727 551676330 /nfs/dbraw/zinc/67/63/30/551676330.db2.gz YFRFNVAWEQERMG-DEXQXJORSA-N 0 0 504.970 6.065 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cccs3)C2)cc1 ZINC000001453815 551676500 /nfs/dbraw/zinc/67/65/00/551676500.db2.gz FHAAAGBQBBZVLT-KTBRYMIGSA-N 0 0 596.705 6.997 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001451730 551676523 /nfs/dbraw/zinc/67/65/23/551676523.db2.gz YFRFNVAWEQERMG-HJWYETAXSA-N 0 0 504.970 6.065 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)C2)cc1 ZINC000001456948 551676631 /nfs/dbraw/zinc/67/66/31/551676631.db2.gz PINFLBBQVAGMKE-INJOXJOKSA-N 0 0 530.624 6.918 50 30 KKEARN COc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000001459518 551677613 /nfs/dbraw/zinc/67/76/13/551677613.db2.gz IRWVIFDMBZINST-GDLZYMKVSA-N 0 0 514.666 5.891 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001458996 551677675 /nfs/dbraw/zinc/67/76/75/551677675.db2.gz MFXGBKBDLNCGPF-UGDMGKLASA-N 0 0 520.585 6.511 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000001460729 551677952 /nfs/dbraw/zinc/67/79/52/551677952.db2.gz TUHWKDDIBPSJSC-UGDMGKLASA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)cc1 ZINC000001460743 551677975 /nfs/dbraw/zinc/67/79/75/551677975.db2.gz DFUXZGWAKWMXHH-URAOTHONSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc1 ZINC000001460764 551678199 /nfs/dbraw/zinc/67/81/99/551678199.db2.gz RTWSSBPXJZQQMD-JRPXNJEYSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460775 551678207 /nfs/dbraw/zinc/67/82/07/551678207.db2.gz AHUWLCOXOJBNRW-UVDDSOTQSA-N 0 0 554.643 5.727 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460770 551678214 /nfs/dbraw/zinc/67/82/14/551678214.db2.gz HBHFCZRTFPKXQQ-HEIROHQZSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001460789 551678525 /nfs/dbraw/zinc/67/85/25/551678525.db2.gz DLXHYIXDCJAJLK-JPZYQRIQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001460807 551678577 /nfs/dbraw/zinc/67/85/77/551678577.db2.gz OQKDXTVNJAMENF-BGOLNKOXSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000001460823 551678715 /nfs/dbraw/zinc/67/87/15/551678715.db2.gz ZLNVIZHGFARTRG-UGDMGKLASA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000001460821 551678750 /nfs/dbraw/zinc/67/87/50/551678750.db2.gz ZLNVIZHGFARTRG-UVDDSOTQSA-N 0 0 538.644 6.021 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460825 551678771 /nfs/dbraw/zinc/67/87/71/551678771.db2.gz QMBCAFAHGQDKKI-QNLPTKCRSA-N 0 0 552.671 6.275 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000001460822 551678780 /nfs/dbraw/zinc/67/87/80/551678780.db2.gz ZLNVIZHGFARTRG-WKRVVKTRSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cc(C)ccc2C)cc1 ZINC000001461010 551679025 /nfs/dbraw/zinc/67/90/25/551679025.db2.gz RANKIPPDYTVKSB-JIYROHSKSA-N 0 0 552.671 6.330 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460986 551679036 /nfs/dbraw/zinc/67/90/36/551679036.db2.gz XHXOHOMMJSDUDH-UKJJDJLKSA-N 0 0 536.672 6.575 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001461040 551679189 /nfs/dbraw/zinc/67/91/89/551679189.db2.gz IYIWESNIDAWOCX-JPQMRUPTSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000001461097 551679515 /nfs/dbraw/zinc/67/95/15/551679515.db2.gz NADGNSLHBJOUAD-RCRUUEGKSA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(O)c2)cc1 ZINC000001461087 551679544 /nfs/dbraw/zinc/67/95/44/551679544.db2.gz RTYGDAVITRRDKH-IIMAJNMQSA-N 0 0 540.616 5.418 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001467635 551680144 /nfs/dbraw/zinc/68/01/44/551680144.db2.gz LCYQAIVNMPGBDD-GDLZYMKVSA-N 0 0 542.632 5.097 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001467605 551680219 /nfs/dbraw/zinc/68/02/19/551680219.db2.gz QSNCFUOLNYEMGU-GDLZYMKVSA-N 0 0 520.585 6.360 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001480134 551681494 /nfs/dbraw/zinc/68/14/94/551681494.db2.gz YZUATBVWXOERON-QHCPKHFHSA-N 0 0 532.574 5.114 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480609 551681581 /nfs/dbraw/zinc/68/15/81/551681581.db2.gz DYPROMHWCBPBNU-VWLOTQADSA-N 0 0 544.629 6.030 50 30 KKEARN COC(=O)N1c2cc(OC)ccc2/C(=C2/SC(C(=O)c3ccccc3)=C(c3ccccc3)S2)C(=S)C1(C)C ZINC000001756687 551693798 /nfs/dbraw/zinc/69/37/98/551693798.db2.gz WYPHWPZKZRCEPW-NFFVHWSESA-N 0 0 559.734 7.830 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2sc(C)c(C)c2c1=O ZINC000001801715 551703783 /nfs/dbraw/zinc/70/37/83/551703783.db2.gz JGVOGBJXPBZNFC-UHFFFAOYSA-N 0 0 531.725 5.499 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccccc1 ZINC000001811282 551706268 /nfs/dbraw/zinc/70/62/68/551706268.db2.gz VKXZDFLWCCNMAR-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccccc1 ZINC000001811284 551706276 /nfs/dbraw/zinc/70/62/76/551706276.db2.gz DHBWPBGSGXCURI-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2scc(-c3ccccc3)c2c1=O ZINC000001811769 551706483 /nfs/dbraw/zinc/70/64/83/551706483.db2.gz ILIDITHBBRRBOB-UHFFFAOYSA-N 0 0 551.715 5.769 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000001812918 551706661 /nfs/dbraw/zinc/70/66/61/551706661.db2.gz JBWKKYCNLBWUFF-UHFFFAOYSA-N 0 0 541.076 7.128 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc(C)c2C(=O)Nc2ccccc2)cc1OC ZINC000001818627 551708181 /nfs/dbraw/zinc/70/81/81/551708181.db2.gz DCUHGQHAOJTPCA-UHFFFAOYSA-N 0 0 566.683 6.546 50 30 aggregator KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000001818615 551708253 /nfs/dbraw/zinc/70/82/53/551708253.db2.gz RMGZAAFEOBZFKI-UHFFFAOYSA-N 0 0 522.630 6.229 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000001820918 551708835 /nfs/dbraw/zinc/70/88/35/551708835.db2.gz NVESFBXAWNNACP-BTYSJIOQSA-N 0 0 513.638 7.469 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1C ZINC000001822018 551708903 /nfs/dbraw/zinc/70/89/03/551708903.db2.gz IKIOWALLTJIJEB-VEILYXNESA-N 0 0 575.650 5.017 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3cc4ccccc4oc3=O)c2C#N)cc1 ZINC000001822412 551709001 /nfs/dbraw/zinc/70/90/01/551709001.db2.gz HITUVVFKTWQBQD-UHFFFAOYSA-N 0 0 504.567 6.377 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C1 ZINC000001833706 551712004 /nfs/dbraw/zinc/71/20/04/551712004.db2.gz YVHLWBAEWSJRBL-OAHLLOKOSA-N 0 0 501.674 5.313 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c1-c1ccccc1Cl ZINC000001854775 551716117 /nfs/dbraw/zinc/71/61/17/551716117.db2.gz JUCNOARVLARPEG-UHFFFAOYSA-N 0 0 590.930 7.880 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000001860708 551717101 /nfs/dbraw/zinc/71/71/01/551717101.db2.gz HKHNFKSAZFNMLD-XMMPIXPASA-N 0 0 558.906 6.075 50 30 KKEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001862454 551717376 /nfs/dbraw/zinc/71/73/76/551717376.db2.gz AAPDMURHHZQFAJ-NDEPHWFRSA-N 0 0 590.520 5.987 50 30 KKEARN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000001874174 551721162 /nfs/dbraw/zinc/72/11/62/551721162.db2.gz ZIRWERROYHFBDK-FCKOQQNDSA-N 0 0 573.498 5.069 50 30 KKEARN O=C(NC1CCCCC1)c1c(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)sc2c1CCCC2 ZINC000001876370 551722530 /nfs/dbraw/zinc/72/25/30/551722530.db2.gz YYNWFSWTBMSVAU-KVAAJVFYSA-N 0 0 564.582 8.750 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1cccc(Br)c1 ZINC000001877677 551723392 /nfs/dbraw/zinc/72/33/92/551723392.db2.gz LQUDRHZTDPSLJP-KKMKTNMSSA-N 0 0 547.261 7.545 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O ZINC000001882896 551724622 /nfs/dbraw/zinc/72/46/22/551724622.db2.gz ACDSPDTWEVPVLJ-KIBLKLHPSA-N 0 0 581.058 7.247 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000001884365 551724973 /nfs/dbraw/zinc/72/49/73/551724973.db2.gz LCHAJVVVGHCTCX-BRJLIKDPSA-N 0 0 516.189 6.875 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001894276 551727140 /nfs/dbraw/zinc/72/71/40/551727140.db2.gz OCGWDQOHQLTDTJ-UHFFFAOYSA-N 0 0 501.652 5.594 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001896251 551728144 /nfs/dbraw/zinc/72/81/44/551728144.db2.gz BVGSWWIXPICCCY-UHFFFAOYSA-N 0 0 519.545 6.200 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2CCc1ccc(F)cc1 ZINC000001901007 551731076 /nfs/dbraw/zinc/73/10/76/551731076.db2.gz SKOWBSOFSBIAET-RUZDIDTESA-N 0 0 556.478 5.604 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccc(OC)c(OC)c2)cc1 ZINC000001904987 551731911 /nfs/dbraw/zinc/73/19/11/551731911.db2.gz ZZCRFSRWDJCLQI-ZEQRLZLVSA-N 0 0 566.650 6.636 50 30 biogenic KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906469 551732114 /nfs/dbraw/zinc/73/21/14/551732114.db2.gz DMIXDTDHCYEWSA-UHFFFAOYSA-N 0 0 538.142 6.860 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906489 551732140 /nfs/dbraw/zinc/73/21/40/551732140.db2.gz POEKVGLAJPPOSM-UHFFFAOYSA-N 0 0 552.169 7.169 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000001906665 551732424 /nfs/dbraw/zinc/73/24/24/551732424.db2.gz HZCVIWOPNSQTIN-UHFFFAOYSA-N 0 0 590.956 6.237 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1cccc2ccccc21 ZINC000001906641 551732449 /nfs/dbraw/zinc/73/24/49/551732449.db2.gz JMSCCUKWNPOJOK-UHFFFAOYSA-N 0 0 566.539 7.369 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000001906721 551732490 /nfs/dbraw/zinc/73/24/90/551732490.db2.gz GUDDPEGERDMLNI-UHFFFAOYSA-N 0 0 527.675 5.974 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Cc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000001950629 551735137 /nfs/dbraw/zinc/73/51/37/551735137.db2.gz FECLBTRXQLVKAQ-BVDGQYGUSA-N 0 0 506.605 8.496 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1)c1cccc(Br)c1 ZINC000001951615 551735351 /nfs/dbraw/zinc/73/53/51/551735351.db2.gz OZAPZHJZYJIAHO-IBBHUPRXSA-N 0 0 566.238 8.534 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000002026082 551736469 /nfs/dbraw/zinc/73/64/69/551736469.db2.gz RFCLQVBUSCFZLL-WOPWWUTRSA-N 0 0 517.625 7.815 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002030091 551736777 /nfs/dbraw/zinc/73/67/77/551736777.db2.gz KWRXYIZHROWWHE-LHAPQZOASA-N 0 0 533.668 8.103 50 30 KKEARN COc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000002054391 551739432 /nfs/dbraw/zinc/73/94/32/551739432.db2.gz CCUNELBHYTXERR-XKBZZJQASA-N 0 0 528.652 7.743 50 30 biogenic KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000002055466 551739673 /nfs/dbraw/zinc/73/96/73/551739673.db2.gz KWDONRYEYRDLJT-LJAQVGFWSA-N 0 0 501.623 6.118 50 30 KKEARN C=CCOc1c(Cl)cc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OC ZINC000002059485 551741278 /nfs/dbraw/zinc/74/12/78/551741278.db2.gz CEQWZBHFUVBVET-LZYBPNLTSA-N 0 0 530.145 5.516 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1Br ZINC000002059401 551741284 /nfs/dbraw/zinc/74/12/84/551741284.db2.gz IJJTZWBXRDTOBB-DEDYPNTBSA-N 0 0 513.185 6.274 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(OCc2cc3c(cc2Cl)OCO3)c1 ZINC000002061242 551742697 /nfs/dbraw/zinc/74/26/97/551742697.db2.gz GVBIUUDDHQNRCC-JGCGQSQUSA-N 0 0 538.043 8.110 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C1=O ZINC000002061592 551742980 /nfs/dbraw/zinc/74/29/80/551742980.db2.gz KVCDVHGJMAOLMG-YZSQISJMSA-N 0 0 537.641 5.501 50 30 KKEARN CCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062436 551743381 /nfs/dbraw/zinc/74/33/81/551743381.db2.gz WBDGDAHVJCETSK-QYVRTBTHSA-N 0 0 507.630 6.601 50 30 KKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1Cl ZINC000002062496 551743495 /nfs/dbraw/zinc/74/34/95/551743495.db2.gz CBADMNYNLLDASP-HKBQPEDESA-N 0 0 524.060 8.390 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1 ZINC000002062485 551743497 /nfs/dbraw/zinc/74/34/97/551743497.db2.gz ILVNRGXCMXOAAW-XIFFEERXSA-N 0 0 503.642 8.045 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000002062529 551743503 /nfs/dbraw/zinc/74/35/03/551743503.db2.gz RRRNZYJHHVLROX-SSEXGKCCSA-N 0 0 509.602 5.856 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002063196 551744139 /nfs/dbraw/zinc/74/41/39/551744139.db2.gz QYDFNLXLLUEMLC-XYFQYJLHSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063161 551744148 /nfs/dbraw/zinc/74/41/48/551744148.db2.gz VZHCJJZCHCABDJ-SIBVEZHUSA-N 0 0 510.461 7.231 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002063201 551744168 /nfs/dbraw/zinc/74/41/68/551744168.db2.gz JEZHOUJSKOKRBI-HVNZXBJASA-N 0 0 523.629 5.817 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063225 551744412 /nfs/dbraw/zinc/74/44/12/551744412.db2.gz JIJGVAKBMFLSFY-IADCTJSHSA-N 0 0 514.021 6.324 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000002063755 551744538 /nfs/dbraw/zinc/74/45/38/551744538.db2.gz HBSGWRGFGJNLEE-UHFFFAOYSA-N 0 0 531.637 7.188 50 30 KKEARN Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N)c4)c(F)c3F)c(F)c2F)c1 ZINC000002066659 551745544 /nfs/dbraw/zinc/74/55/44/551745544.db2.gz HSTNXYGBENWDMI-UHFFFAOYSA-N 0 0 512.356 7.215 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000002074164 551748676 /nfs/dbraw/zinc/74/86/76/551748676.db2.gz GXWHGKBLCKKBQS-MMTVBGGISA-N 0 0 521.610 5.123 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002074298 551749156 /nfs/dbraw/zinc/74/91/56/551749156.db2.gz YWFAULCEKOGYHB-PIIWDFAUSA-N 0 0 521.610 5.123 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)n1-c1cccc(Cl)c1)CCCC2 ZINC000002074375 551749305 /nfs/dbraw/zinc/74/93/05/551749305.db2.gz DDKFNYJOQKTDJL-UHFFFAOYSA-N 0 0 507.044 5.525 50 30 KKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002074508 551749567 /nfs/dbraw/zinc/74/95/67/551749567.db2.gz CKZSMHQBZNCLHS-SSEXGKCCSA-N 0 0 506.646 6.817 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@H]3[C@@H](C1=O)C1(Br)c4ccccc4C3(Br)c3ccccc31)CCCC2 ZINC000002076747 551750385 /nfs/dbraw/zinc/75/03/85/551750385.db2.gz QNTCQMBXSRRGIZ-PRSBGKBPSA-N 0 0 594.328 5.908 50 30 KKEARN COc1cc(Br)cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000002082307 551752455 /nfs/dbraw/zinc/75/24/55/551752455.db2.gz CYYJZIAUPIVEAT-AVXIRIOFSA-N 0 0 509.425 6.589 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(-c4ccccc4)cc3)csc2nc1SCC(=O)Nc1ccccc1 ZINC000002083506 551753173 /nfs/dbraw/zinc/75/31/73/551753173.db2.gz FSTBOCRQKIHEPF-UHFFFAOYSA-N 0 0 509.656 6.709 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000002084096 551753878 /nfs/dbraw/zinc/75/38/78/551753878.db2.gz LIMFHDHXDPEKCM-SDOFRJHVSA-N 0 0 551.506 7.400 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2cc(OCC)ccc2OC)cc1 ZINC000002086034 551756017 /nfs/dbraw/zinc/75/60/17/551756017.db2.gz IFDIHUHYYHYVGD-RUZDIDTESA-N 0 0 552.425 5.333 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000002086022 551756031 /nfs/dbraw/zinc/75/60/31/551756031.db2.gz BMEGZULUDXKQCQ-RUZDIDTESA-N 0 0 536.426 5.714 50 30 KKEARN Cc1cc(C)cc(/N=C2\S/C(=C3\C(=O)Nc4ccc(I)cc43)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000002086987 551756594 /nfs/dbraw/zinc/75/65/94/551756594.db2.gz PNMHIPSWVYBXAM-FBPNTZIXSA-N 0 0 579.463 6.656 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nc2sc(-c3ccccc3)cc2c1=O ZINC000002087880 551757290 /nfs/dbraw/zinc/75/72/90/551757290.db2.gz XBHMKLNBAHPXEF-UHFFFAOYSA-N 0 0 537.688 5.379 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000002092061 551759155 /nfs/dbraw/zinc/75/91/55/551759155.db2.gz KKZAKDTYQJJVEZ-GUZYMRFCSA-N 0 0 577.721 7.512 50 30 KKEARN Cc1ccccc1/N=C1\S/C(=C\c2ccc(I)o2)C(=O)N1c1ccccc1C ZINC000002093035 551759711 /nfs/dbraw/zinc/75/97/11/551759711.db2.gz ULMWXKYXSWMLGL-ZZSQQICMSA-N 0 0 500.361 6.310 50 30 KKEARN CC[C@@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000002099076 551762036 /nfs/dbraw/zinc/76/20/36/551762036.db2.gz KCZNMSPPSVPATF-AFNNNTNCSA-N 0 0 500.064 5.978 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002106479 551764049 /nfs/dbraw/zinc/76/40/49/551764049.db2.gz SCPTUCLLCLOFJJ-UHFFFAOYSA-N 0 0 541.676 5.280 50 30 KKEARN Cc1ccc(-c2csc3nc(SCC(=O)Nc4sc5c(c4C#N)CCCCC5)n(-c4ccccc4)c(=O)c23)o1 ZINC000002106465 551764099 /nfs/dbraw/zinc/76/40/99/551764099.db2.gz IQAMVELWQHRKBE-UHFFFAOYSA-N 0 0 572.737 6.949 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O)CCC3 ZINC000002106615 551764400 /nfs/dbraw/zinc/76/44/00/551764400.db2.gz JNTCYICDBKUBEE-LJQANCHMSA-N 0 0 514.072 5.100 50 30 KKEARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(CC(C)C)cc4)nc4ccccc43)c2C#N)cc1 ZINC000002108085 551765124 /nfs/dbraw/zinc/76/51/24/551765124.db2.gz HQRXKYGAMRLQIK-QHCPKHFHSA-N 0 0 557.763 9.775 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3scc(-c4cc(C)ccc4C)c3C#N)c3ccccc3n2)c1 ZINC000002108328 551765738 /nfs/dbraw/zinc/76/57/38/551765738.db2.gz YIFDWMGLCAIFNY-UHFFFAOYSA-N 0 0 503.627 7.770 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(Cl)cc4Cl)c3C#N)c3ccccc3n2)c1 ZINC000002108378 551765846 /nfs/dbraw/zinc/76/58/46/551765846.db2.gz XCCFTANPBGMXHI-UHFFFAOYSA-N 0 0 558.490 8.768 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000002111881 551767915 /nfs/dbraw/zinc/76/79/15/551767915.db2.gz KXXOSOAKXOXGEL-DEOSSOPVSA-N 0 0 526.098 6.740 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Cl)c1OC)Nc1ccc(Br)cc1-2 ZINC000002114048 551768880 /nfs/dbraw/zinc/76/88/80/551768880.db2.gz HFIJXKVPCALMNP-SFHVURJKSA-N 0 0 526.243 6.398 50 30 KKEARN S=C1N=NC(CCCCC2N=NC(=S)N2N=Cc2ccc(Cl)cc2)N1N=Cc1ccc(Cl)cc1 ZINC000002122542 551771029 /nfs/dbraw/zinc/77/10/29/551771029.db2.gz QBFGQYFWJMYSQR-BKHCZYBLSA-N 0 0 531.498 5.084 50 30 KKEARN COc1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)c(OC)cc1Cl ZINC000002125390 551771862 /nfs/dbraw/zinc/77/18/62/551771862.db2.gz WXRYLQMYEVDKRJ-ZKYXGDMKSA-N 0 0 517.006 7.426 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000002128354 551772253 /nfs/dbraw/zinc/77/22/53/551772253.db2.gz LIFFLUFWSOEJJR-UHFFFAOYSA-N 0 0 539.455 7.613 50 30 KKEARN C=C1S/C(=N\c2ccccc2OC)N(C(=O)c2c(C)onc2-c2ccccc2Cl)C12CCCCC2 ZINC000002143032 551775296 /nfs/dbraw/zinc/77/52/96/551775296.db2.gz DUQDFUVWATVTKW-WCTVFOPTSA-N 0 0 508.043 7.405 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000002142904 551775301 /nfs/dbraw/zinc/77/53/01/551775301.db2.gz HGKLHFUISWZUJE-ZXVVBBHZSA-N 0 0 555.696 6.733 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Br)c(OC)cc2OC)C1=O ZINC000002142933 551775305 /nfs/dbraw/zinc/77/53/05/551775305.db2.gz OROOJTIWJAHMDE-FYJGNVAPSA-N 0 0 574.493 5.625 50 30 KKEARN C=CCOc1cc2c(-c3ccc(OCC)c(OCC)c3)c3n(c2c2ccccc12)CCc1cc(OCC)c(OCC)cc1-3 ZINC000002145758 551776161 /nfs/dbraw/zinc/77/61/61/551776161.db2.gz NJGGBSCTBAWMIY-UHFFFAOYSA-N 0 0 577.721 8.844 50 30 biogenic KKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1c1ccc(Br)cc1 ZINC000002151539 551778537 /nfs/dbraw/zinc/77/85/37/551778537.db2.gz OFHQLLMJGFOTAI-XMMPIXPASA-N 0 0 533.853 6.767 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151969 551778771 /nfs/dbraw/zinc/77/87/71/551778771.db2.gz WPDMDFPSSZSVOL-HHHXNRCGSA-N 0 0 592.614 6.704 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(F)(F)F)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000002151978 551778785 /nfs/dbraw/zinc/77/87/85/551778785.db2.gz KYLRQLNZYSKXCS-RUZDIDTESA-N 0 0 595.459 7.768 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3cccc(Cl)c3C)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002152016 551779033 /nfs/dbraw/zinc/77/90/33/551779033.db2.gz BTMRTGAXSGIWEK-HHHXNRCGSA-N 0 0 579.955 8.564 50 30 KKEARN CSc1sc(-c2ccnc(SCCS(=O)(=O)c3ccc(Cl)cc3)n2)c(-c2ccccc2)c1C#N ZINC000002154170 551779381 /nfs/dbraw/zinc/77/93/81/551779381.db2.gz RTQKIEYTYWRVGI-UHFFFAOYSA-N 0 0 544.148 6.685 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3I)sc2C1 ZINC000002158559 551780330 /nfs/dbraw/zinc/78/03/30/551780330.db2.gz LGXSNRWANAIJDM-CYBMUJFWSA-N 0 0 537.492 5.892 50 30 KKEARN N#Cc1c(NC(=O)c2cccc3ccccc32)n(Cc2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000002158793 551780361 /nfs/dbraw/zinc/78/03/61/551780361.db2.gz ANXSBSDXNGSTLR-UHFFFAOYSA-N 0 0 503.605 8.148 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2cccs2)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002161218 551780731 /nfs/dbraw/zinc/78/07/31/551780731.db2.gz VKPHYOHXDRUAHS-UHFFFAOYSA-N 0 0 584.445 8.112 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C(=O)N2C)cc1 ZINC000002175068 551783237 /nfs/dbraw/zinc/78/32/37/551783237.db2.gz MBDCFPHEUDJOQC-HBRFXCKCSA-N 0 0 578.315 7.577 50 30 KKEARN CCOc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2C(=O)[C@@H](C)CC ZINC000002183604 551785852 /nfs/dbraw/zinc/78/58/52/551785852.db2.gz XIXXJJJZPMUSBS-ZKAUOXRGSA-N 0 0 537.772 7.733 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002185290 551786434 /nfs/dbraw/zinc/78/64/34/551786434.db2.gz ASNYXTAOSXDXMB-UPWSPCOFSA-N 0 0 588.060 5.041 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002185689 551786790 /nfs/dbraw/zinc/78/67/90/551786790.db2.gz ACRPOQAVPVWNMQ-GKVSMKOHSA-N 0 0 524.411 5.493 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1c(F)cccc1Cl ZINC000002185869 551787211 /nfs/dbraw/zinc/78/72/11/551787211.db2.gz DJDXLEFFOFEEID-YTTGMZPUSA-N 0 0 542.050 8.529 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000002188089 551788409 /nfs/dbraw/zinc/78/84/09/551788409.db2.gz LCSWXTXTCFHNLI-RUZDIDTESA-N 0 0 539.413 6.858 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002190948 551789729 /nfs/dbraw/zinc/78/97/29/551789729.db2.gz QUWGOVYSMZXZNC-GAJHUEQPSA-N 0 0 521.626 6.425 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190989 551789885 /nfs/dbraw/zinc/78/98/85/551789885.db2.gz VZFSULRMCJUPMN-VKGTZQKMSA-N 0 0 567.704 5.379 50 30 KKEARN C#CC(C)(C)NS(=O)(=O)c1cc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)ccc1C ZINC000002191695 551790134 /nfs/dbraw/zinc/79/01/34/551790134.db2.gz RRWJKEZHXSKWNY-UHFFFAOYSA-N 0 0 535.467 5.801 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191804 551790306 /nfs/dbraw/zinc/79/03/06/551790306.db2.gz LMGFFYYMPQXCSU-UPCLLVRISA-N 0 0 507.578 5.434 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CO/N=C/c4ccccc4Cl)nc3c1[C@@H]2c1ccccc1 ZINC000002199333 551792460 /nfs/dbraw/zinc/79/24/60/551792460.db2.gz WVCWTGJJONNZLV-QSHDWEGSSA-N 0 0 513.985 5.496 50 30 KKEARN C=CCc1ccc(OCCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(OC)c1 ZINC000002200603 551792667 /nfs/dbraw/zinc/79/26/67/551792667.db2.gz PCLCFTGTDIKSQM-UHFFFAOYSA-N 0 0 503.042 7.093 50 30 KKEARN CCOC(=O)/C(=N/Nc1ccc(OC)cc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000002204850 551793203 /nfs/dbraw/zinc/79/32/03/551793203.db2.gz BYQPWIVZWHUOPG-JVCXMKTPSA-N 0 0 501.612 5.142 50 30 KKEARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CC(C#N)(c1ccccc1)c1ccccc1 ZINC000002207629 551793649 /nfs/dbraw/zinc/79/36/49/551793649.db2.gz SPHQOXBEMAUMMY-UHFFFAOYSA-N 0 0 517.423 6.178 50 30 biogenic,in-vitro KKEARN C(=N/OCc1nc2c3c(ncn2n1)n(Cc1ccccc1)c(-c1ccccc1)c3-c1ccccc1)\c1ccccc1 ZINC000002220595 551795999 /nfs/dbraw/zinc/79/59/99/551795999.db2.gz NFPXZBTZRNYLHG-QLQYKETESA-N 0 0 534.623 7.012 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000002225677 551796792 /nfs/dbraw/zinc/79/67/92/551796792.db2.gz AWJPQNZNUUEQCQ-UHFFFAOYSA-N 0 0 536.628 7.745 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1cccs1 ZINC000002263863 551804113 /nfs/dbraw/zinc/80/41/13/551804113.db2.gz GCUGGAWFNPIEGG-UHFFFAOYSA-N 0 0 503.678 6.509 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 ZINC000002284776 551806652 /nfs/dbraw/zinc/80/66/52/551806652.db2.gz YORQNIOECHDDOD-UHFFFAOYSA-N 0 0 500.038 8.108 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(C)ccc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000002288697 551807239 /nfs/dbraw/zinc/80/72/39/551807239.db2.gz HMQQJLIQHYQWKI-OKCVXOCRSA-N 0 0 501.604 7.046 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N3)CCCC2 ZINC000002307387 551808835 /nfs/dbraw/zinc/80/88/35/551808835.db2.gz DGTKNMRAEYNLCI-APWZRJJASA-N 0 0 505.953 6.261 50 30 KKEARN COc1ccc(C(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)cc1OC ZINC000002259993 552083762 /nfs/dbraw/zinc/08/37/62/552083762.db2.gz OIAAMWCEGOGURE-UHFFFAOYSA-N 0 0 503.558 6.605 50 30 KKEARN CCOc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002268753 552085728 /nfs/dbraw/zinc/08/57/28/552085728.db2.gz KKEMSCJCOLSTSW-XPTVTYFISA-N 0 0 516.616 7.955 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1sc2c(c1C#N)CCCC2)C(F)(F)F ZINC000002281712 552086966 /nfs/dbraw/zinc/08/69/66/552086966.db2.gz XGJQRNQSQVXQGM-IBGZPJMESA-N 0 0 506.333 5.079 50 30 KKEARN CC(C)Oc1ccc(C2C3=C(C[C@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000002285670 552087502 /nfs/dbraw/zinc/08/75/02/552087502.db2.gz ZJMKHGUSTIAPSI-CLJLJLNGSA-N 0 0 504.626 7.389 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N3)CCCC2 ZINC000002287795 552087794 /nfs/dbraw/zinc/08/77/94/552087794.db2.gz UOWYNTBIXGYVEF-LPHOPBHVSA-N 0 0 540.398 6.914 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2c(Cl)cc(/C=N/NC(=S)NCc3ccccc3)cc2Cl)cc1 ZINC000002305368 552090298 /nfs/dbraw/zinc/09/02/98/552090298.db2.gz YSQISATUINRSQU-FDAWAROLSA-N 0 0 530.521 6.747 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000002316582 552092756 /nfs/dbraw/zinc/09/27/56/552092756.db2.gz ZVNZQGWVAMIVPW-SNVBAGLBSA-N 0 0 505.452 6.142 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000002325116 552095216 /nfs/dbraw/zinc/09/52/16/552095216.db2.gz DWABQSZRAMWTSP-HSZRJFAPSA-N 0 0 500.963 6.371 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 ZINC000002362779 552102964 /nfs/dbraw/zinc/10/29/64/552102964.db2.gz LRYGIEZLZUYTLR-ATGXDJACSA-N 0 0 537.710 7.375 50 30 KKEARN N#C[C@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000002397722 552110655 /nfs/dbraw/zinc/11/06/55/552110655.db2.gz YNXVIOWMRZEARP-QHCPKHFHSA-N 0 0 531.538 5.326 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5ccc(Cl)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002404176 552111994 /nfs/dbraw/zinc/11/19/94/552111994.db2.gz VQOYGHLANMOQRV-XMMPIXPASA-N 0 0 547.011 5.541 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CSc4nc5ccccc5o4)nc3c1[C@@H]2c1ccccc1 ZINC000002407315 552112782 /nfs/dbraw/zinc/11/27/82/552112782.db2.gz GODLTPOBFYQUOB-JOCHJYFZSA-N 0 0 509.591 5.725 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5cccc(C)c5C)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410340 552113393 /nfs/dbraw/zinc/11/33/93/552113393.db2.gz TYCOLCDNRKQTID-SANMLTNESA-N 0 0 540.620 5.505 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5cccc6ccccc65)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002414213 552114279 /nfs/dbraw/zinc/11/42/79/552114279.db2.gz WFCBCQHAEJXIPX-VWLOTQADSA-N 0 0 502.574 6.121 50 30 KKEARN Cc1ccc(N2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002424535 552116447 /nfs/dbraw/zinc/11/64/47/552116447.db2.gz JEPDBJPFDYKLEE-DEOSSOPVSA-N 0 0 524.461 5.735 50 30 KKEARN CC(C)(C)c1ccc(/C=N/n2c3nc4ccccc4nc3c3c2ncn(CCc2ccccc2)c3=O)cc1 ZINC000002431437 552118002 /nfs/dbraw/zinc/11/80/02/552118002.db2.gz FXFDCVVHFVHHQV-HNSNBQBZSA-N 0 0 500.606 5.717 50 30 KKEARN Cc1ccc(C(=O)NC2=C(C(=O)c3ccccc3)N(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000002454321 552124359 /nfs/dbraw/zinc/12/43/59/552124359.db2.gz NKHFGFOLRPGWCV-UHFFFAOYSA-N 0 0 508.599 5.181 50 30 KKEARN COc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000002506514 552124998 /nfs/dbraw/zinc/12/49/98/552124998.db2.gz ZZFCBPMPNMBACG-CVKSISIWSA-N 0 0 506.429 5.631 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002542084 552128392 /nfs/dbraw/zinc/12/83/92/552128392.db2.gz AOXLUSUQLLXMKG-WHLCRQNOSA-N 0 0 514.528 5.694 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002542943 552128627 /nfs/dbraw/zinc/12/86/27/552128627.db2.gz WBCCHPVOTGIPCF-RPPGKUMJSA-N 0 0 508.814 6.195 50 30 KKEARN CC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000002556955 552129756 /nfs/dbraw/zinc/12/97/56/552129756.db2.gz FYNXDGNCEBQLGC-LQWPWIHBSA-N 0 0 546.840 9.137 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000002573755 552130285 /nfs/dbraw/zinc/13/02/85/552130285.db2.gz XJDVSCJKCPKTAH-JOCHJYFZSA-N 0 0 529.500 6.152 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc32)cc1 ZINC000002578205 552130538 /nfs/dbraw/zinc/13/05/38/552130538.db2.gz MTDFAQMVAAXDCU-UHFFFAOYSA-N 0 0 514.065 8.416 50 30 KKEARN O=C(Oc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002584953 552131210 /nfs/dbraw/zinc/13/12/10/552131210.db2.gz PGAWZRIQSZVENJ-WYMPLXKRSA-N 0 0 528.211 5.288 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002604504 552135265 /nfs/dbraw/zinc/13/52/65/552135265.db2.gz VZUFGYLKRNQQNE-GDLZYMKVSA-N 0 0 558.597 5.241 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)n(Cc2ccccc2)c(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000002605240 552135782 /nfs/dbraw/zinc/13/57/82/552135782.db2.gz KLGZADATOAUMRJ-BBUXEPKYSA-N 0 0 594.675 7.029 50 30 KKEARN Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3ccccc3Sc3ccccc3C#N)n2)c(C)c1 ZINC000002640657 552143064 /nfs/dbraw/zinc/14/30/64/552143064.db2.gz LXQRJIFDUDFXPS-UHFFFAOYSA-N 0 0 513.644 6.554 50 30 KKEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000002642768 552143528 /nfs/dbraw/zinc/14/35/28/552143528.db2.gz SIGNBHIGVRAZKI-RUZDIDTESA-N 0 0 522.725 5.375 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCCOc1ccc(Br)cc1 ZINC000002651450 552146655 /nfs/dbraw/zinc/14/66/55/552146655.db2.gz GNUOVPZMTZWISK-UHFFFAOYSA-N 0 0 522.468 6.644 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)sc2C1 ZINC000002651690 552146903 /nfs/dbraw/zinc/14/69/03/552146903.db2.gz ZZDZDMXZUQVTPZ-MRXNPFEDSA-N 0 0 511.068 6.486 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000002652989 552147539 /nfs/dbraw/zinc/14/75/39/552147539.db2.gz DYHUYHAPEROZFH-UHFFFAOYSA-N 0 0 509.006 6.233 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cccc(I)c2)ccc1Cl ZINC000002653079 552147542 /nfs/dbraw/zinc/14/75/42/552147542.db2.gz ZVYDDLZOLCULLU-UHFFFAOYSA-N 0 0 587.266 6.232 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(CC)s2)c1 ZINC000002653233 552147702 /nfs/dbraw/zinc/14/77/02/552147702.db2.gz OPJAPWIVVBBIGD-UHFFFAOYSA-N 0 0 530.981 5.406 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000002656784 552149426 /nfs/dbraw/zinc/14/94/26/552149426.db2.gz YXEQAXZGNIIUIR-QGZVFWFLSA-N 0 0 547.004 5.053 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002678621 552154086 /nfs/dbraw/zinc/15/40/86/552154086.db2.gz JABYSVDUPQHPCN-LWUPDDLQSA-N 0 0 551.451 5.531 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002679235 552154342 /nfs/dbraw/zinc/15/43/42/552154342.db2.gz HKILLBXCAVAJLF-UHFFFAOYSA-N 0 0 568.562 6.668 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2sc(C)c(C)c2c1=O ZINC000002679427 552154514 /nfs/dbraw/zinc/15/45/14/552154514.db2.gz OJOYGYQHNNXQRX-UHFFFAOYSA-N 0 0 542.524 6.406 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000002680093 552155072 /nfs/dbraw/zinc/15/50/72/552155072.db2.gz DSAHORBKFCAJSB-UHFFFAOYSA-N 0 0 557.716 7.449 50 30 KKEARN COc1ccc(N(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002685751 552156381 /nfs/dbraw/zinc/15/63/81/552156381.db2.gz MKAWFTGWTGWLRG-HSZRJFAPSA-N 0 0 528.630 5.009 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719409 552163632 /nfs/dbraw/zinc/16/36/32/552163632.db2.gz WQPJXNOQFIYCPB-QFIPXVFZSA-N 0 0 533.650 5.701 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[nH]c(SCc3ccccc3Cl)nc1N2 ZINC000002719280 552163674 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RCAPHQIPWLXLDA-NBGIEHNGSA-N 0 0 510.428 5.390 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000002784219 552189522 /nfs/dbraw/zinc/18/95/22/552189522.db2.gz RASWEPGOPYIPKD-SSEXGKCCSA-N 0 0 509.602 5.856 50 30 KKEARN C=CCn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)nnc1-c1cccnc1 ZINC000002784965 552189880 /nfs/dbraw/zinc/18/98/80/552189880.db2.gz FAKXBVAVKMBXLY-UHFFFAOYSA-N 0 0 506.418 6.493 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002788553 552190897 /nfs/dbraw/zinc/19/08/97/552190897.db2.gz KVTDFZGOKWRUTL-WGDIFIGCSA-N 0 0 546.447 5.562 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002788579 552191133 /nfs/dbraw/zinc/19/11/33/552191133.db2.gz GFFVONRGYSOECV-BCHFMIIMSA-N 0 0 512.071 6.007 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000002792841 552191894 /nfs/dbraw/zinc/19/18/94/552191894.db2.gz NPWUEJYBQISPDZ-IQMFZBJNSA-N 0 0 534.447 5.591 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002801728 552194871 /nfs/dbraw/zinc/19/48/71/552194871.db2.gz FAUBXMBBJXVBST-OAQYLSRUSA-N 0 0 548.817 5.154 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002801806 552194874 /nfs/dbraw/zinc/19/48/74/552194874.db2.gz DCUNCEZSPMDIPS-QFIPXVFZSA-N 0 0 531.527 5.393 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2C#N)cc1C ZINC000002802194 552194886 /nfs/dbraw/zinc/19/48/86/552194886.db2.gz BYDAMTRLFSUWLX-UHFFFAOYSA-N 0 0 541.929 7.242 50 30 KKEARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc12 ZINC000002801892 552194916 /nfs/dbraw/zinc/19/49/16/552194916.db2.gz PYUCXCNNHIUNFJ-KRWDZBQOSA-N 0 0 512.704 6.491 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1OC ZINC000002844467 552200132 /nfs/dbraw/zinc/20/01/32/552200132.db2.gz DXZMZLCBKISATJ-XHCCPWGMSA-N 0 0 535.612 5.699 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(I)cc2C(C)C)nnc1-c1ccccc1O ZINC000002852670 552201440 /nfs/dbraw/zinc/20/14/40/552201440.db2.gz HQCPMZYKENBLCR-UHFFFAOYSA-N 0 0 534.423 5.296 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(Cl)cc3)n1-c1ccccc1)CCCC2 ZINC000002855088 552202208 /nfs/dbraw/zinc/20/22/08/552202208.db2.gz VMAIIGQLYANNES-UHFFFAOYSA-N 0 0 563.108 5.393 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc(Br)ccc1O ZINC000002858771 552202992 /nfs/dbraw/zinc/20/29/92/552202992.db2.gz XCIUJARMYTYQTC-UHFFFAOYSA-N 0 0 514.232 5.637 50 30 KKEARN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(I)cc1C(C)C ZINC000002859188 552203108 /nfs/dbraw/zinc/20/31/08/552203108.db2.gz YHGZUKWNTWKKGP-UHFFFAOYSA-N 0 0 562.477 5.522 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](CC(C)C)NC(=O)c1cccs1 ZINC000002859534 552203400 /nfs/dbraw/zinc/20/34/00/552203400.db2.gz DURPVPUQLOUAGC-SFHVURJKSA-N 0 0 533.517 5.780 50 30 KKEARN C=CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000002867097 552205872 /nfs/dbraw/zinc/20/58/72/552205872.db2.gz RSLSBBNXAUPABI-UHFFFAOYSA-N 0 0 534.867 5.100 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000002881857 552208756 /nfs/dbraw/zinc/20/87/56/552208756.db2.gz AGAJPFUKOJGMFB-NRFANRHFSA-N 0 0 528.476 5.085 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(F)ccc3F)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000002889293 552211055 /nfs/dbraw/zinc/21/10/55/552211055.db2.gz PSGZDWBROXFCIL-UHFFFAOYSA-N 0 0 547.652 6.972 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002909846 552214141 /nfs/dbraw/zinc/21/41/41/552214141.db2.gz RAGIHZKBHTUTIA-WJOKGBTCSA-N 0 0 588.582 8.877 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002923173 552221834 /nfs/dbraw/zinc/22/18/34/552221834.db2.gz YSEBWIDQSSRRPZ-UQBPGWFLSA-N 0 0 516.490 6.651 50 30 KKEARN Cc1c(Cl)cccc1NC(=S)N/N=C1\C(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21 ZINC000002923027 552221912 /nfs/dbraw/zinc/22/19/12/552221912.db2.gz GOBISRAUVIUXOX-NQUVTRGKSA-N 0 0 587.071 5.484 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000002923167 552221923 /nfs/dbraw/zinc/22/19/23/552221923.db2.gz YSEBWIDQSSRRPZ-DFBJGRDBSA-N 0 0 516.490 6.651 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002924207 552222379 /nfs/dbraw/zinc/22/23/79/552222379.db2.gz AOTWQGYATWFGEY-BTYSJIOQSA-N 0 0 558.472 6.433 50 30 KKEARN C#Cc1cccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c1 ZINC000002924898 552222517 /nfs/dbraw/zinc/22/25/17/552222517.db2.gz OLZPTKKCMHTOSQ-UHFFFAOYSA-N 0 0 562.837 5.519 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925112 552222584 /nfs/dbraw/zinc/22/25/84/552222584.db2.gz UHENGPUNXWCOCJ-JQJBXXCASA-N 0 0 564.081 7.477 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002925195 552222799 /nfs/dbraw/zinc/22/27/99/552222799.db2.gz LFXSNJLWQWCDRC-LMKMVOKYSA-N 0 0 524.957 5.292 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002925807 552223970 /nfs/dbraw/zinc/22/39/70/552223970.db2.gz UIOLVNZBZQWHQL-HFJWLAOPSA-N 0 0 530.448 5.943 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002926372 552224128 /nfs/dbraw/zinc/22/41/28/552224128.db2.gz ZKGCOJPBHUVJQK-MRDQGFSESA-N 0 0 588.882 5.773 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002926249 552224183 /nfs/dbraw/zinc/22/41/83/552224183.db2.gz SBYVQXNUDSSCTL-UQBPGWFLSA-N 0 0 527.042 5.906 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCCOc2cccc(OC)c2)SC1=S ZINC000002961568 552233842 /nfs/dbraw/zinc/23/38/42/552233842.db2.gz MTFJOFDTWJFILA-DEDYPNTBSA-N 0 0 506.443 5.303 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(Br)cc2)cc1 ZINC000002963235 552235160 /nfs/dbraw/zinc/23/51/60/552235160.db2.gz XUBGKVMJZNTWOM-RBBQXQBVSA-N 0 0 552.512 8.848 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)c1ccc(Br)cc1 ZINC000003016796 552260898 /nfs/dbraw/zinc/26/08/98/552260898.db2.gz XJAXSVZOMKEJDE-KBKYJPHKSA-N 0 0 536.303 8.091 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1SCc1cccc(C(F)(F)F)c1 ZINC000003028640 552267656 /nfs/dbraw/zinc/26/76/56/552267656.db2.gz UQLYCVMQVHUBHO-IPBVOBEMSA-N 0 0 515.340 7.763 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1Sc1cccc(C(F)(F)F)c1 ZINC000003028580 552267691 /nfs/dbraw/zinc/26/76/91/552267691.db2.gz CDKLPOKXFWFOLH-LUOAPIJWSA-N 0 0 501.313 7.622 50 30 KKEARN O=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000003029416 552267976 /nfs/dbraw/zinc/26/79/76/552267976.db2.gz HFIIYCPVFCFCHN-UHFFFAOYSA-N 0 0 505.289 5.089 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1O ZINC000003033453 552268393 /nfs/dbraw/zinc/26/83/93/552268393.db2.gz JNMAFKVXLBSHBO-KIBLKLHPSA-N 0 0 536.607 7.138 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 ZINC000003042980 552273625 /nfs/dbraw/zinc/27/36/25/552273625.db2.gz WFNILBFQQWLVNK-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)cc1C ZINC000003043049 552273908 /nfs/dbraw/zinc/27/39/08/552273908.db2.gz QFDGHVSDJDCGNY-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2C)c2ccc(Br)cc21 ZINC000003043052 552273968 /nfs/dbraw/zinc/27/39/68/552273968.db2.gz LFLPCPZKKFLRHX-FAJYDZGRSA-N 0 0 557.901 5.965 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)cc1Cl ZINC000003044082 552274869 /nfs/dbraw/zinc/27/48/69/552274869.db2.gz KAWBDICRJXVDHI-ANYBSYGZSA-N 0 0 582.282 6.141 50 30 KKEARN Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 ZINC000003044012 552274878 /nfs/dbraw/zinc/27/48/78/552274878.db2.gz LSJRMMUULZCBOM-MEFGMAGPSA-N 0 0 513.848 5.648 50 30 KKEARN Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(C)c3)c3cc(Br)ccc32)cc1 ZINC000003043978 552274890 /nfs/dbraw/zinc/27/48/90/552274890.db2.gz QXWABLQDHLISLY-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1O ZINC000003044568 552275426 /nfs/dbraw/zinc/27/54/26/552275426.db2.gz QRNDCOZUIQTRRE-KIBLKLHPSA-N 0 0 536.607 7.138 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(I)cc2)c1O ZINC000003066661 552285047 /nfs/dbraw/zinc/28/50/47/552285047.db2.gz RNRGXNSVCPPODD-CNHKJKLMSA-N 0 0 510.951 5.281 50 30 KKEARN Cc1ccc2sc(-c3ccc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)cc3)nc2c1 ZINC000003085088 552286146 /nfs/dbraw/zinc/28/61/46/552286146.db2.gz YRZOYBPRCSBXIU-LQKURTRISA-N 0 0 510.531 7.631 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5ccc(Br)cc5)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000003092454 552286994 /nfs/dbraw/zinc/28/69/94/552286994.db2.gz GUNJYDCWUWKJOJ-RWPZCVJISA-N 0 0 559.332 7.617 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003097169 552287396 /nfs/dbraw/zinc/28/73/96/552287396.db2.gz NXSGMDFIXPLGJD-JFLMPSFJSA-N 0 0 504.637 6.811 50 30 KKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3o2)cc1C ZINC000003113643 552290187 /nfs/dbraw/zinc/29/01/87/552290187.db2.gz ILRQVMIKHFAQAR-MUFRIFMGSA-N 0 0 508.490 7.471 50 30 KKEARN Cc1ccc(N[C@]2(NS(=O)(=O)c3ccc(C)cc3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000003123246 552291145 /nfs/dbraw/zinc/29/11/45/552291145.db2.gz YZANZYXHMAVSSD-IBGZPJMESA-N 0 0 577.144 6.010 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003131706 552292634 /nfs/dbraw/zinc/29/26/34/552292634.db2.gz RNZMJMQLZVSYDH-LUOAPIJWSA-N 0 0 543.259 6.849 50 30 KKEARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000003134467 552293029 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0 0 594.362 9.279 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc2s1)NCCOc1ccccc1 ZINC000003668527 552409922 /nfs/dbraw/zinc/40/99/22/552409922.db2.gz LIZGXZVUOGVPPV-QXUDOOCXSA-N 0 0 547.705 7.641 50 30 KKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Br)ccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000003669374 552410660 /nfs/dbraw/zinc/41/06/60/552410660.db2.gz WNMOWXUNPHUDNW-XMMPIXPASA-N 0 0 525.443 7.169 50 30 KKEARN CC[C@H](C)Oc1c(I)cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000003770477 552415843 /nfs/dbraw/zinc/41/58/43/552415843.db2.gz OHHBGJPNGJTDPU-MTUBTWAWSA-N 0 0 577.271 6.676 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C ZINC000003770949 552416259 /nfs/dbraw/zinc/41/62/59/552416259.db2.gz OTQILAZNYHDURK-MUAVYFROSA-N 0 0 513.638 7.469 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000003771695 552416937 /nfs/dbraw/zinc/41/69/37/552416937.db2.gz ISZNSUCKQLBEFA-VWLOTQADSA-N 0 0 561.751 7.700 50 30 KKEARN CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2[C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)CC1 ZINC000004044966 552430538 /nfs/dbraw/zinc/43/05/38/552430538.db2.gz KSLLVFDDRQPCIK-BHVANESWSA-N 0 0 592.784 8.530 50 30 KKEARN CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2[C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)CC1 ZINC000004044962 552430582 /nfs/dbraw/zinc/43/05/82/552430582.db2.gz KSLLVFDDRQPCIK-PSXMRANNSA-N 0 0 592.784 8.530 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000004047165 552431100 /nfs/dbraw/zinc/43/11/00/552431100.db2.gz HJCDAFWYLHCSGR-IANOAQMISA-N 0 0 502.614 7.254 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(Cl)cc3)C4)ccc21 ZINC000004048074 552431365 /nfs/dbraw/zinc/43/13/65/552431365.db2.gz HNKOYZAXJSCCRS-DHYKOVJISA-N 0 0 518.060 8.447 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000004047193 552431403 /nfs/dbraw/zinc/43/14/03/552431403.db2.gz HJCDAFWYLHCSGR-CAQRMWTPSA-N 0 0 502.614 7.254 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000004048126 552431603 /nfs/dbraw/zinc/43/16/03/552431603.db2.gz XSUGNGIGPDBRCD-INJOXJOKSA-N 0 0 502.614 7.254 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004048090 552431655 /nfs/dbraw/zinc/43/16/55/552431655.db2.gz FDIIONJIMGJBCA-HLADLETHSA-N 0 0 516.682 6.102 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004065686 552432385 /nfs/dbraw/zinc/43/23/85/552432385.db2.gz GBCCISHRAWTPDH-VVFBEHOQSA-N 0 0 507.630 6.580 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004065684 552432453 /nfs/dbraw/zinc/43/24/53/552432453.db2.gz GBCCISHRAWTPDH-FKAPRUDGSA-N 0 0 507.630 6.580 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004067664 552432975 /nfs/dbraw/zinc/43/29/75/552432975.db2.gz KWUPAPDGMXPBPA-MUUNZHRXSA-N 0 0 519.638 5.840 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004068147 552433172 /nfs/dbraw/zinc/43/31/72/552433172.db2.gz FCMKVHRIELHLRQ-XJFCNFDWSA-N 0 0 523.629 6.069 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067818 552433184 /nfs/dbraw/zinc/43/31/84/552433184.db2.gz RKNJSWMVVBCSJN-IQGLISFBSA-N 0 0 556.453 5.105 50 30 biogenic,in-vitro KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004068148 552433231 /nfs/dbraw/zinc/43/32/31/552433231.db2.gz FCMKVHRIELHLRQ-WBBHLRKXSA-N 0 0 523.629 6.069 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C4)ccc21 ZINC000004080586 552433350 /nfs/dbraw/zinc/43/33/50/552433350.db2.gz LVJBGRNAJINNFQ-NMRUTFGKSA-N 0 0 543.667 7.811 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004079313 552433390 /nfs/dbraw/zinc/43/33/90/552433390.db2.gz IGNPKMXLTWQTIX-XDCSYDRFSA-N 0 0 566.698 7.559 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\CCc2ccccc2)N(CCc2ccccc2)C1=O ZINC000004089426 552434667 /nfs/dbraw/zinc/43/46/67/552434667.db2.gz ZFUKJNSPWSMEMI-NPGLLJSBSA-N 0 0 506.096 6.468 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1C ZINC000004091119 552435165 /nfs/dbraw/zinc/43/51/65/552435165.db2.gz GIEIGUUYFUJASI-NPGLLJSBSA-N 0 0 506.096 7.174 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000004106414 552436936 /nfs/dbraw/zinc/43/69/36/552436936.db2.gz UOYMJJBFRHBCGW-MPRHAZATSA-N 0 0 532.340 7.560 50 30 KKEARN CCC(C)(C)c1ccc(OCCCC/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C2CCCCC2)c(C(C)(C)CC)c1 ZINC000004108310 552437127 /nfs/dbraw/zinc/43/71/27/552437127.db2.gz CBVJEJKJUOPLRE-VBKJNVIJSA-N 0 0 668.413 10.550 50 30 KKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc(Br)c2)N(c2ccc(F)cc2)C1=O ZINC000004109134 552437405 /nfs/dbraw/zinc/43/74/05/552437405.db2.gz YAOPZJOUQFPCCA-KZKDCJJISA-N 0 0 512.429 6.767 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004111895 552438225 /nfs/dbraw/zinc/43/82/25/552438225.db2.gz USTWDZSWAPFALD-AYWVHJORSA-N 0 0 528.048 6.632 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112682 552438391 /nfs/dbraw/zinc/43/83/91/552438391.db2.gz IMTZAABVRCJMTN-XJFCNFDWSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000004112746 552438418 /nfs/dbraw/zinc/43/84/18/552438418.db2.gz CKZDZDODDIJRTB-WXTAPIANSA-N 0 0 576.542 6.756 50 30 KKEARN Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004261104 552453762 /nfs/dbraw/zinc/45/37/62/552453762.db2.gz SXLYVUYIVHRNHS-AJBULDERSA-N 0 0 522.630 5.739 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004396973 552458685 /nfs/dbraw/zinc/45/86/85/552458685.db2.gz SDWBMPBMTSEMQR-LYZGTLIUSA-N 0 0 544.629 6.078 50 30 KKEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1C ZINC000004467643 552461292 /nfs/dbraw/zinc/46/12/92/552461292.db2.gz FGDSEJXEWBORDO-AAPHRLRXSA-N 0 0 557.445 7.129 50 30 KKEARN N#C[C@H](c1cccc2ccccc21)[C@H](CC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000004546778 552465700 /nfs/dbraw/zinc/46/57/00/552465700.db2.gz HDORPSOLFSLMLB-LOYHVIPDSA-N 0 0 504.427 8.419 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004546252 552465745 /nfs/dbraw/zinc/46/57/45/552465745.db2.gz VQUJTJJNPHDQSI-YEYVXWEJSA-N 0 0 515.609 6.028 50 30 KKEARN COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004546260 552465774 /nfs/dbraw/zinc/46/57/74/552465774.db2.gz VQUJTJJNPHDQSI-APVLBVBKSA-N 0 0 515.609 6.028 50 30 KKEARN O[C@H](C#CC#C[C@@H](O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004552078 552466401 /nfs/dbraw/zinc/46/64/01/552466401.db2.gz NRPMJYIZFDHEAB-NCRNUEESSA-N 0 0 594.754 7.784 50 30 KKEARN O[C@@H](C#CC#C[C@H](O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004552077 552466427 /nfs/dbraw/zinc/46/64/27/552466427.db2.gz NRPMJYIZFDHEAB-COCZKOEFSA-N 0 0 594.754 7.784 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635172 552469483 /nfs/dbraw/zinc/46/94/83/552469483.db2.gz ASGPFGVUNMUISQ-MHZLTWQESA-N 0 0 557.488 7.049 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000004635676 552469488 /nfs/dbraw/zinc/46/94/88/552469488.db2.gz SVUXVEYGUKAAEH-NIYFSFCBSA-N 0 0 504.964 6.619 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000004635175 552469520 /nfs/dbraw/zinc/46/95/20/552469520.db2.gz YBODJWJYMPOZDY-XMMPIXPASA-N 0 0 570.270 7.058 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000004635901 552469863 /nfs/dbraw/zinc/46/98/63/552469863.db2.gz RWPJXSOHMITZQF-QFIPXVFZSA-N 0 0 504.892 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000004641998 552470395 /nfs/dbraw/zinc/47/03/95/552470395.db2.gz YZVUUAFCXMKXRH-DNOBIOAJSA-N 0 0 538.669 7.009 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000004783591 552482094 /nfs/dbraw/zinc/48/20/94/552482094.db2.gz MIROITGPMGDCGI-MQXQNARFSA-N 0 0 526.802 8.139 50 30 biogenic KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000004788212 552482634 /nfs/dbraw/zinc/48/26/34/552482634.db2.gz LVSGNFBDCQDLFZ-UDNBHOFDSA-N 0 0 567.686 5.779 50 30 KKEARN CCCC/N=C(\C=C1/SN(c2cccc3ccccc32)C(=S)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004872134 552488355 /nfs/dbraw/zinc/48/83/55/552488355.db2.gz ZBRMTAKBASFZKB-HZYVJHSQSA-N 0 0 562.591 9.537 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2ccccc2F)c2ccccc12 ZINC000005225828 552495766 /nfs/dbraw/zinc/49/57/66/552495766.db2.gz JNZZBOFJGCKAMM-XIFFEERXSA-N 0 0 500.617 8.291 50 30 biogenic KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005355110 552498306 /nfs/dbraw/zinc/49/83/06/552498306.db2.gz WVTFNGPSJIBKRF-QHCPKHFHSA-N 0 0 534.634 5.817 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005355334 552498504 /nfs/dbraw/zinc/49/85/04/552498504.db2.gz BGRHDNBMPHXXDE-RUZDIDTESA-N 0 0 562.688 6.632 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000005355470 552498592 /nfs/dbraw/zinc/49/85/92/552498592.db2.gz UKDHYFXGXGGTPC-QHCPKHFHSA-N 0 0 534.634 5.817 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355697 552498953 /nfs/dbraw/zinc/49/89/53/552498953.db2.gz FMIDGHKECXYUNX-RUZDIDTESA-N 0 0 554.624 6.512 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000005431956 552501926 /nfs/dbraw/zinc/50/19/26/552501926.db2.gz UMNQDRFZNBAWBB-QNLPTKCRSA-N 0 0 551.687 6.079 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3cccc(Br)c3)c3ccccc23)cc1 ZINC000005944474 552514708 /nfs/dbraw/zinc/51/47/08/552514708.db2.gz YHEBVFGBYJYTEB-LQKURTRISA-N 0 0 524.484 6.062 50 30 KKEARN CS/C(=N\N=C\c1ccccc1)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000006059198 552521286 /nfs/dbraw/zinc/52/12/86/552521286.db2.gz KMIFHYWPFYXVCA-JFLMPSFJSA-N 0 0 549.625 5.651 50 30 KKEARN CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c2C#N)cc1 ZINC000006075504 552527425 /nfs/dbraw/zinc/52/74/25/552527425.db2.gz MFPPYJDAWILGIV-UHFFFAOYSA-N 0 0 545.630 8.334 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000006089750 552532648 /nfs/dbraw/zinc/53/26/48/552532648.db2.gz IRMMVCKOOZMCIE-UHFFFAOYSA-N 0 0 606.147 8.649 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccco1 ZINC000006089730 552532703 /nfs/dbraw/zinc/53/27/03/552532703.db2.gz GCXLAWOHZSRCMY-VUTHCHCSSA-N 0 0 527.585 5.262 50 30 KKEARN COc1ccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c([N+](=O)[O-])c1 ZINC000006136544 552542122 /nfs/dbraw/zinc/54/21/22/552542122.db2.gz ZTOUFDYAMYDMLB-OGLMXYFKSA-N 0 0 522.525 5.982 50 30 KKEARN CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000006146137 552547716 /nfs/dbraw/zinc/54/77/16/552547716.db2.gz IOGUYDXOFCOERF-UHFFFAOYSA-N 0 0 523.430 5.433 50 30 KKEARN O=C(Nc1cc(I)ccc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146814 552548526 /nfs/dbraw/zinc/54/85/26/552548526.db2.gz SYGFJQZEIVMUPY-UHFFFAOYSA-N 0 0 548.736 5.660 50 30 KKEARN O=S(=O)(Nc1ccc(-c2csc(NC([O-])=[NH+]c3cccc(Cl)c3)n2)cc1)c1ccc(Cl)cc1 ZINC000006146796 552548690 /nfs/dbraw/zinc/54/86/90/552548690.db2.gz GOAWXGKQIGJHLP-UHFFFAOYSA-N 0 0 519.435 6.575 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000006150514 552551431 /nfs/dbraw/zinc/55/14/31/552551431.db2.gz PEFLQVIPMLVLDT-UHFFFAOYSA-N 0 0 511.028 5.492 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000006157131 552553169 /nfs/dbraw/zinc/55/31/69/552553169.db2.gz PQVRHFXBEVVESJ-UHFFFAOYSA-N 0 0 526.574 5.943 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)n2)cc1 ZINC000006159507 552553715 /nfs/dbraw/zinc/55/37/15/552553715.db2.gz UUKWKZMNUCFUIZ-UHFFFAOYSA-N 0 0 614.752 8.312 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162084 552554921 /nfs/dbraw/zinc/55/49/21/552554921.db2.gz NZLXIULSFXFGBE-MMTVBGGISA-N 0 0 505.611 5.417 50 30 KKEARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006177143 552559854 /nfs/dbraw/zinc/55/98/54/552559854.db2.gz GSZOWOGLDNJHOM-IBGZPJMESA-N 0 0 512.034 7.263 50 30 KKEARN O=S(=O)(/N=C1\C=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl)c1ccc(Cl)cc1 ZINC000006184002 552562636 /nfs/dbraw/zinc/56/26/36/552562636.db2.gz MTQNCTBUZHLQDO-ZLNINVEZSA-N 0 0 558.679 5.779 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccccc1Cl ZINC000006196166 552568198 /nfs/dbraw/zinc/56/81/98/552568198.db2.gz BBKUGYKXSMNEGG-AREMUKBSSA-N 0 0 515.993 6.059 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccccc1C#N ZINC000006196162 552568200 /nfs/dbraw/zinc/56/82/00/552568200.db2.gz QTYSOLLNWDNLPH-HHHXNRCGSA-N 0 0 506.558 5.277 50 30 KKEARN CCOc1ccc2cc(/C=C/C(=O)c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)c(Cl)nc2c1 ZINC000006197058 552569375 /nfs/dbraw/zinc/56/93/75/552569375.db2.gz BUXUOSFXEORXCU-UKTHLTGXSA-N 0 0 559.847 7.454 50 30 KKEARN Cc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3Cl)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000006245507 552574165 /nfs/dbraw/zinc/57/41/65/552574165.db2.gz FLKLOLSUMMNQPU-ZCTHSVRISA-N 0 0 557.058 6.390 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)N(c3ccccc3)c3ccc4ccccc4c3)c2C#N)cc1OC ZINC000006245735 552574185 /nfs/dbraw/zinc/57/41/85/552574185.db2.gz FEXQRHPISAZEFP-UHFFFAOYSA-N 0 0 621.762 9.223 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2cc(Cl)ccc2C)c1C#N ZINC000006245787 552574350 /nfs/dbraw/zinc/57/43/50/552574350.db2.gz XOUFGMRPFSXOSH-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000006287608 552578398 /nfs/dbraw/zinc/57/83/98/552578398.db2.gz GMZWTFPUAKFHIR-XDCSYDRFSA-N 0 0 561.657 7.115 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000006442930 552585358 /nfs/dbraw/zinc/58/53/58/552585358.db2.gz DBDUBILUJKEQGK-ZTOMLWHTSA-N 0 0 501.623 5.860 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2C)cc1OC ZINC000006444561 552586973 /nfs/dbraw/zinc/58/69/73/552586973.db2.gz SGXOIXXTZKTVFB-CHJDUVSTSA-N 0 0 515.650 6.250 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2C)cc1OC ZINC000006444595 552587123 /nfs/dbraw/zinc/58/71/23/552587123.db2.gz SGXOIXXTZKTVFB-YKGWIAGDSA-N 0 0 515.650 6.250 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000006459704 552590232 /nfs/dbraw/zinc/59/02/32/552590232.db2.gz XXIUIUFNGUFWHP-JPZYQRIQSA-N 0 0 598.696 6.038 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000006472021 552591829 /nfs/dbraw/zinc/59/18/29/552591829.db2.gz KHCNMIHAPJBKOU-DCBAJMHUSA-N 0 0 522.498 6.933 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)cc1 ZINC000006473861 552591981 /nfs/dbraw/zinc/59/19/81/552591981.db2.gz OWCTYMXRMIMXOL-NDZAJKAJSA-N 0 0 514.033 6.284 50 30 KKEARN Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000006474195 552592399 /nfs/dbraw/zinc/59/23/99/552592399.db2.gz ZSIVCBIZPIXQHT-UZWMFBFFSA-N 0 0 511.850 8.978 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000006600610 552602657 /nfs/dbraw/zinc/60/26/57/552602657.db2.gz SSVBYBAZGLRSAK-UHFFFAOYSA-N 0 0 569.525 8.371 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006600504 552602686 /nfs/dbraw/zinc/60/26/86/552602686.db2.gz UQGCLJNUQKPCJX-AJBULDERSA-N 0 0 588.669 5.133 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006858537 552974551 /nfs/dbraw/zinc/97/45/51/552974551.db2.gz HYZQZWDYBKVIRI-UHFFFAOYSA-N 0 0 738.094 9.735 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000008214494 552984494 /nfs/dbraw/zinc/98/44/94/552984494.db2.gz VYGQUTWHTHXGQB-FFHKNEKCSA-N 0 0 524.874 11.543 50 30 endogenous,in-man KKEARN CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC ZINC000008214714 552984810 /nfs/dbraw/zinc/98/48/10/552984810.db2.gz CMSGWTNRGKRWGS-NQIIRXRSSA-N 0 0 600.478 8.198 50 30 investigational KKEARN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000008218951 552984972 /nfs/dbraw/zinc/98/49/72/552984972.db2.gz YAMUFBLWGFFICM-PTGWMXDISA-O 0 0 522.684 5.768 50 30 endogenous,in-man KKEARN CCCCCCCc1ccc2cc(C(=O)Oc3ccc(C(=O)Oc4ccc(CCCC)cc4)c(Cl)c3)ccc2c1 ZINC000008383580 552987116 /nfs/dbraw/zinc/98/71/16/552987116.db2.gz ATFBHAFRJWQXGV-UHFFFAOYSA-N 0 0 557.130 9.787 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC(COS(=O)(=O)c2ccc(C)cc2)(COS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000008383623 552987153 /nfs/dbraw/zinc/98/71/53/552987153.db2.gz VHIJTASHMVRTPL-UHFFFAOYSA-N 0 0 644.789 5.066 50 30 KKEARN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008384046 552988729 /nfs/dbraw/zinc/98/87/29/552988729.db2.gz LTIKXEJUGTXCBY-KELHKHCHSA-N 0 0 605.543 8.707 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1C#N ZINC000008384038 552988760 /nfs/dbraw/zinc/98/87/60/552988760.db2.gz IUWYKCZRNPBQHM-VRRUORIFSA-N 0 0 535.625 6.933 50 30 KKEARN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@@]23C(=O)N(c2ccc(C)cc2)C(c2ccccc2)=C3C(=O)c2ccccc2)cc1 ZINC000008384135 552988910 /nfs/dbraw/zinc/98/89/10/552988910.db2.gz WFFKKKRGNRXYGA-WBVITSLISA-N 0 0 650.778 8.716 50 30 KKEARN COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1Cn1nc(C)c(Br)c1C ZINC000008385236 552990669 /nfs/dbraw/zinc/99/06/69/552990669.db2.gz QKBHDXZRDKNGGN-YCPBAFNGSA-N 0 0 516.654 6.726 50 30 KKEARN CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000008385716 552991044 /nfs/dbraw/zinc/99/10/44/552991044.db2.gz VXFRTHCNYFFLOY-OQBISYOISA-N 0 0 633.807 7.313 50 30 KKEARN CCCCCCCCCCCCCCCCNC1=C(C(=O)c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N(c2ccccc2)C1=O ZINC000008385584 552991054 /nfs/dbraw/zinc/99/10/54/552991054.db2.gz SLQKBBZIIPARCG-KDXMTYKHSA-N 0 0 621.910 10.048 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)/C=C/c4ccccc4)c3)cc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000008386216 552991575 /nfs/dbraw/zinc/99/15/75/552991575.db2.gz GAJUNDCBDPSNHK-MBALSZOMSA-N 0 0 721.769 8.784 50 30 KKEARN CCOc1cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008386411 552991999 /nfs/dbraw/zinc/99/19/99/552991999.db2.gz GEWYUSVKTOIVMP-OCSSWDANSA-N 0 0 538.516 7.561 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCCCCCCCCCCCCCCCCC ZINC000008386508 552992008 /nfs/dbraw/zinc/99/20/08/552992008.db2.gz JNWHNFSESPYHDL-XZWPOAIWSA-N 0 0 555.898 9.777 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000008386707 552992597 /nfs/dbraw/zinc/99/25/97/552992597.db2.gz QKZGGHWIRBCJHI-UHFFFAOYSA-N 0 0 560.473 6.798 50 30 KKEARN CCCC[C@H]1S/C(=N/N=C/c2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O ZINC000008387153 552993316 /nfs/dbraw/zinc/99/33/16/552993316.db2.gz GXPBRVXJTCFUET-FXZATJRASA-N 0 0 525.652 5.118 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000008387322 552993664 /nfs/dbraw/zinc/99/36/64/552993664.db2.gz JGXOSKWEAICRFJ-HBHSWBPBSA-N 0 0 756.714 8.270 50 30 KKEARN N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000008387381 552993952 /nfs/dbraw/zinc/99/39/52/552993952.db2.gz QOZYQZVLGJMVBL-UMSFTDKQSA-N 0 0 618.737 8.045 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000008396258 552995059 /nfs/dbraw/zinc/99/50/59/552995059.db2.gz XTDKCVHGUCUWSG-XYGWBWBKSA-N 0 0 564.059 6.098 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000008396233 552995072 /nfs/dbraw/zinc/99/50/72/552995072.db2.gz NSOAVZRCCLGUQM-HAHDFKILSA-N 0 0 537.996 5.920 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000008396843 552995839 /nfs/dbraw/zinc/99/58/39/552995839.db2.gz SXAMVZCRYXBWLZ-SANMLTNESA-N 0 0 532.507 7.463 50 30 KKEARN Cc1cc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)ccc1-c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1C ZINC000008397674 552997336 /nfs/dbraw/zinc/99/73/36/552997336.db2.gz NTPUCMQHHZELEX-GCQSSKKOSA-N 0 0 628.728 9.910 50 30 KKEARN O=C(O[C@@H](c1ccccc1)N1c2ccccc2C(C(F)(F)F)(C(F)(F)F)C1=O)C(C(F)(F)F)C(F)(F)F ZINC000008397700 552997397 /nfs/dbraw/zinc/99/73/97/552997397.db2.gz BACAOFRJJMIJQH-AWEZNQCLSA-N 0 0 553.299 6.378 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2cc(Cl)ccc2Cl)C2=C1C(=O)CC(C)(C)C2 ZINC000008398145 552998338 /nfs/dbraw/zinc/99/83/38/552998338.db2.gz WTBZLWWXCNVJTG-UHFFFAOYSA-N 0 0 603.384 8.655 50 30 KKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000008398329 552998713 /nfs/dbraw/zinc/99/87/13/552998713.db2.gz KBGAHRBTLFMCMF-OAQYLSRUSA-N 0 0 551.153 5.530 50 30 KKEARN C=CCNC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000008398938 553000099 /nfs/dbraw/zinc/00/00/99/553000099.db2.gz IUZKDLJZQCRNGL-MFKUBSTISA-N 0 0 535.406 6.058 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1 ZINC000008399181 553000577 /nfs/dbraw/zinc/00/05/77/553000577.db2.gz NROPECLLGDLTPJ-UHFFFAOYSA-N 0 0 621.354 7.681 50 30 KKEARN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000008399233 553000583 /nfs/dbraw/zinc/00/05/83/553000583.db2.gz OFRHQKVIPXBIKR-WSDLNYQXSA-N 0 0 535.467 5.762 50 30 KKEARN CCOC(=O)c1ccc(/N=C2C(=N\c3ccc(C(=O)OCC)cc3)\S/C(=N\N=C\c3ccccc3O)N\2c2ccccc2)cc1 ZINC000008399221 553000594 /nfs/dbraw/zinc/00/05/94/553000594.db2.gz PSNVMQFRBPBWSI-YMMNZHPYSA-N 0 0 619.703 7.149 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(S(N)(=O)=O)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000008399320 553000806 /nfs/dbraw/zinc/00/08/06/553000806.db2.gz JBFSHYAEOXWQOO-RYJJHBMFSA-N 0 0 601.710 5.432 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000008399730 553001726 /nfs/dbraw/zinc/00/17/26/553001726.db2.gz YEDBFYWFGLSISY-GKKFRVOYSA-N 0 0 563.660 5.129 50 30 KKEARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)NC1=NC(=S)N(Cc2ccccc2)C12CCCCC2 ZINC000008400127 553003682 /nfs/dbraw/zinc/00/36/82/553003682.db2.gz HLNOVBVBEFRKBI-RQOTYCFOSA-N 0 0 514.566 7.913 50 30 KKEARN Cc1ccc(S(=O)(=O)N(Cc2noc(-c3ccccc3O)n2)c2ccccc2N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 ZINC000008400278 553004235 /nfs/dbraw/zinc/00/42/35/553004235.db2.gz FFSDJGZTCADTRE-UHFFFAOYSA-N 0 0 638.790 7.746 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000008400425 553004713 /nfs/dbraw/zinc/00/47/13/553004713.db2.gz LPOWJBXQOQCDLP-PUNADZHJSA-N 0 0 527.017 6.317 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(N3CCCCCC3)n2)cc1 ZINC000008403644 553006358 /nfs/dbraw/zinc/00/63/58/553006358.db2.gz KZKOOPCGOYQMNG-DHRITJCHSA-N 0 0 700.279 5.265 50 30 KKEARN 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553104148 /nfs/dbraw/zinc/10/41/48/553104148.db2.gz PESFMACFQPLDFN-KBVAKVRCSA-N 0 0 607.083 6.037 50 30 KKEARN COc1ccc(/C(C)=N/OC(=O)c2c(C)onc2-c2ccccc2Cl)cc1CSc1ccccn1 ZINC000008629689 553104993 /nfs/dbraw/zinc/10/49/93/553104993.db2.gz BLQNQBFMKREQEF-MUFRIFMGSA-N 0 0 507.999 6.580 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)sc2C1 ZINC000008636899 553105660 /nfs/dbraw/zinc/10/56/60/553105660.db2.gz HQZWKLZLITUOSH-MRXNPFEDSA-N 0 0 520.083 6.376 50 30 KKEARN COc1cc(CC/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008637093 553106007 /nfs/dbraw/zinc/10/60/07/553106007.db2.gz IAIGHDCQMCAMFK-LQKURTRISA-N 0 0 517.365 6.655 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC1CCCC[C@@H]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000008648404 553106999 /nfs/dbraw/zinc/10/69/99/553106999.db2.gz BKLRSXBIJKSCDS-QZZRYQNYSA-N 0 0 503.930 6.089 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(C(=O)c3ccccc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000008657458 553108542 /nfs/dbraw/zinc/10/85/42/553108542.db2.gz ZPNWPPOYPRLRDX-RYJJHBMFSA-N 0 0 550.640 6.420 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1Cl ZINC000008694739 553120333 /nfs/dbraw/zinc/12/03/33/553120333.db2.gz NXFWACUOUJMINT-BIZUNTBRSA-N 0 0 552.038 7.046 50 30 KKEARN Brc1ccc(OCc2ccccc2)c(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000008694776 553120601 /nfs/dbraw/zinc/12/06/01/553120601.db2.gz HTKFFAMRQZURKR-RDRPBHBLSA-N 0 0 560.456 5.239 50 30 KKEARN CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1 ZINC000008694799 553120654 /nfs/dbraw/zinc/12/06/54/553120654.db2.gz ZSXYUKJFAOIZMK-NDEPHWFRSA-N 0 0 514.670 6.905 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OCc1ccccc1 ZINC000008694801 553120666 /nfs/dbraw/zinc/12/06/66/553120666.db2.gz CGDUXDLEDDTQSJ-UMSFTDKQSA-N 0 0 558.678 7.731 50 30 KKEARN COc1ccc(C(NCCc2c[nH]c3ccc(F)cc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695176 553121166 /nfs/dbraw/zinc/12/11/66/553121166.db2.gz WYZKCGWYLSTUDK-WWIWEHRJSA-N 0 0 574.612 6.164 50 30 KKEARN Clc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 ZINC000008695524 553121830 /nfs/dbraw/zinc/12/18/30/553121830.db2.gz ZMGXKHHIVABVCU-OCSSWDANSA-N 0 0 578.902 6.656 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695593 553122162 /nfs/dbraw/zinc/12/21/62/553122162.db2.gz XLYVPGQDWMIFQM-GOXGLGGOSA-N 0 0 519.044 7.863 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000008695577 553122258 /nfs/dbraw/zinc/12/22/58/553122258.db2.gz WBRPLGYKMHLJHB-QJWGWKRISA-N 0 0 558.631 5.650 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C ZINC000008722203 553129909 /nfs/dbraw/zinc/12/99/09/553129909.db2.gz LXESCGSFOQXDLS-VVCQNSFQSA-N 0 0 511.647 6.810 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008740706 553132419 /nfs/dbraw/zinc/13/24/19/553132419.db2.gz JMUVNZQYDRPQIU-XMMPIXPASA-N 0 0 500.576 5.659 50 30 KKEARN C=CCCCCCCCCC(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000008757334 553136514 /nfs/dbraw/zinc/13/65/14/553136514.db2.gz VKDLADNVVXZGRD-UHFFFAOYSA-N 0 0 501.714 9.315 50 30 KKEARN COc1ccc(OC)c(/C=N/Nc2cnn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2Cl)c1 ZINC000008763847 553137823 /nfs/dbraw/zinc/13/78/23/553137823.db2.gz AHPBDJYVPGHQSA-ZNLRHDTNSA-N 0 0 502.185 5.368 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008766784 553139206 /nfs/dbraw/zinc/13/92/06/553139206.db2.gz FPEQESNVIKODGI-WRONEBCDSA-N 0 0 520.551 7.025 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000008775566 553142315 /nfs/dbraw/zinc/14/23/15/553142315.db2.gz YICJEHMECYHBSI-DEOSSOPVSA-N 0 0 535.825 6.405 50 30 KKEARN CC(C)OC(=O)CC(=O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000008809600 553147986 /nfs/dbraw/zinc/14/79/86/553147986.db2.gz UXNNUFVWUNXPHB-UHFFFAOYSA-N 0 0 509.425 6.053 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000008817972 553153107 /nfs/dbraw/zinc/15/31/07/553153107.db2.gz VSKKWSBHZFIKNL-QHCPKHFHSA-N 0 0 507.384 5.411 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008836943 553163527 /nfs/dbraw/zinc/16/35/27/553163527.db2.gz UCBLJZZGELJEOX-IJAHGLKVSA-N 0 0 528.652 7.576 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008837209 553163718 /nfs/dbraw/zinc/16/37/18/553163718.db2.gz JGAKBAHFZIOUST-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845803 553166157 /nfs/dbraw/zinc/16/61/57/553166157.db2.gz QVLMGPHPSVYOLO-GYCJOSAFSA-N 0 0 519.623 5.378 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000008846371 553166243 /nfs/dbraw/zinc/16/62/43/553166243.db2.gz MYJZJKXHUWCNIY-LRSAJYCXSA-N 0 0 507.868 5.463 50 30 KKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000008846803 553166640 /nfs/dbraw/zinc/16/66/40/553166640.db2.gz FHVILIARPGRYJM-WENCNXQZSA-N 0 0 514.622 6.481 50 30 KKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000008855439 553167270 /nfs/dbraw/zinc/16/72/70/553167270.db2.gz BMNGLMVOVORZRD-VBROQKIQSA-N 0 0 508.806 5.404 50 30 KKEARN COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2/N=C/c2cc(Br)ccc2O)cc1 ZINC000008856883 553167729 /nfs/dbraw/zinc/16/77/29/553167729.db2.gz YWTHTIHEJLQJPN-NGIYISQISA-N 0 0 505.372 5.668 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2F)cc1OC ZINC000008857536 553168323 /nfs/dbraw/zinc/16/83/23/553168323.db2.gz JWVOWUVGLKVKNB-JWIGPWBQSA-N 0 0 523.402 6.585 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C4CCCCC4)cc3)c(OC)c2)SC1=S ZINC000008872425 553173330 /nfs/dbraw/zinc/17/33/30/553173330.db2.gz FJNIBPICQYPJSJ-XHPQRKPJSA-N 0 0 509.693 6.588 50 30 KKEARN Oc1ccc(Cc2ccccc2Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008872382 553173342 /nfs/dbraw/zinc/17/33/42/553173342.db2.gz IXWBUEHKQRPJKE-ZCTHSVRISA-N 0 0 522.012 6.755 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894100 553177493 /nfs/dbraw/zinc/17/74/93/553177493.db2.gz AUBULNOVCWSDLU-HSZRJFAPSA-N 0 0 504.995 6.304 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000008894992 553178109 /nfs/dbraw/zinc/17/81/09/553178109.db2.gz JSIFSGKEGXQOEK-XMMPIXPASA-N 0 0 502.567 6.152 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896771 553179112 /nfs/dbraw/zinc/17/91/12/553179112.db2.gz VZUVENCFYAVSQI-HSZRJFAPSA-N 0 0 504.995 6.304 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008900846 553181612 /nfs/dbraw/zinc/18/16/12/553181612.db2.gz IKJMSIKKSJQRJV-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3)C4=O)c2c1 ZINC000008917968 553187367 /nfs/dbraw/zinc/18/73/67/553187367.db2.gz YYJMRAFYKGUCCB-QRQIAZFYSA-N 0 0 502.522 7.334 50 30 biogenic KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008934735 553193236 /nfs/dbraw/zinc/19/32/36/553193236.db2.gz KPWXHJMPWCJMEA-VWLOTQADSA-N 0 0 500.595 6.904 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000008951410 553193563 /nfs/dbraw/zinc/19/35/63/553193563.db2.gz IGMUVMWWKMYOIT-ORBAKXMTSA-N 0 0 501.033 5.894 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000008974063 553195760 /nfs/dbraw/zinc/19/57/60/553195760.db2.gz RYPOAJQAEHERGM-HSZRJFAPSA-N 0 0 502.661 7.055 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000008984848 553196408 /nfs/dbraw/zinc/19/64/08/553196408.db2.gz KVVRYFBNEFHCHB-MMTVBGGISA-N 0 0 522.041 6.292 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000008986614 553196580 /nfs/dbraw/zinc/19/65/80/553196580.db2.gz HHTUVXPNMJHIAL-LJAQVGFWSA-N 0 0 503.042 7.540 50 30 KKEARN Cc1cccc(Cn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c1 ZINC000008986524 553196643 /nfs/dbraw/zinc/19/66/43/553196643.db2.gz XGFRGHPZUJYTIL-AJBULDERSA-N 0 0 508.674 5.610 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996496 553197141 /nfs/dbraw/zinc/19/71/41/553197141.db2.gz KTFDEUHAUAKHAJ-QHCPKHFHSA-N 0 0 504.539 5.495 50 30 KKEARN Clc1ccccc1Cn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21 ZINC000008997503 553197748 /nfs/dbraw/zinc/19/77/48/553197748.db2.gz WIJXBEYAJJSOAN-ZCTHSVRISA-N 0 0 529.092 5.955 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008713 553199203 /nfs/dbraw/zinc/19/92/03/553199203.db2.gz CFIKBMQEVMCVOD-JOCHJYFZSA-N 0 0 502.548 5.105 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCc5ccc([N+](=O)[O-])cc5)n42)COC(C)(C)C3)cc1 ZINC000009015712 553200584 /nfs/dbraw/zinc/20/05/84/553200584.db2.gz QUDOQYAEBFDMSV-UHFFFAOYSA-N 0 0 500.584 5.705 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009019551 553200975 /nfs/dbraw/zinc/20/09/75/553200975.db2.gz HWIYMPKWFPJDDX-VWLOTQADSA-N 0 0 525.432 6.510 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009019982 553201113 /nfs/dbraw/zinc/20/11/13/553201113.db2.gz DNLGYNVFPNPVOK-MHZLTWQESA-N 0 0 516.594 5.308 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009019995 553201195 /nfs/dbraw/zinc/20/11/95/553201195.db2.gz AMJFUHJVOZYLSC-NDEPHWFRSA-N 0 0 506.558 5.969 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000009034242 553202061 /nfs/dbraw/zinc/20/20/61/553202061.db2.gz BEWNKUUMGFIUBN-NDEPHWFRSA-N 0 0 505.445 7.379 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000009042782 553202647 /nfs/dbraw/zinc/20/26/47/553202647.db2.gz BTGWDUSLBBLADA-ILBGXUMGSA-N 0 0 506.356 6.164 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1 ZINC000009043437 553202914 /nfs/dbraw/zinc/20/29/14/553202914.db2.gz LXGHNPOMJXIZJG-PBBNMVCDSA-N 0 0 505.530 6.402 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009045235 553203288 /nfs/dbraw/zinc/20/32/88/553203288.db2.gz GAHDEJUMKWHAID-RUZDIDTESA-N 0 0 514.603 6.022 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2/C(Br)=C/c1ccccc1 ZINC000009045908 553203507 /nfs/dbraw/zinc/20/35/07/553203507.db2.gz QSFPRZFGMMHING-FPIZWNAKSA-N 0 0 519.361 6.455 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009046339 553203746 /nfs/dbraw/zinc/20/37/46/553203746.db2.gz RANIMPPFPPGAGJ-HSZRJFAPSA-N 0 0 524.415 5.103 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009046275 553203792 /nfs/dbraw/zinc/20/37/92/553203792.db2.gz FJWHJFQSLUIBSO-VWLOTQADSA-N 0 0 516.594 6.740 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000009057658 553204662 /nfs/dbraw/zinc/20/46/62/553204662.db2.gz WBJHKDCMDCKNJL-MUUNZHRXSA-N 0 0 534.096 8.131 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009065490 553205921 /nfs/dbraw/zinc/20/59/21/553205921.db2.gz ZQACNVBXLYLHJI-RCRUUEGKSA-N 0 0 526.589 5.411 50 30 biogenic KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OCC ZINC000009066386 553206157 /nfs/dbraw/zinc/20/61/57/553206157.db2.gz QZYHVDKVDLXQSC-YHMNYDHASA-N 0 0 518.639 5.547 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000009085893 553208156 /nfs/dbraw/zinc/20/81/56/553208156.db2.gz RCYZPWAGMRLDTE-VWLOTQADSA-N 0 0 509.989 7.337 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009086119 553208282 /nfs/dbraw/zinc/20/82/82/553208282.db2.gz MIXHLUPJBLGYDZ-MHZLTWQESA-N 0 0 516.594 5.452 50 30 KKEARN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009086100 553208293 /nfs/dbraw/zinc/20/82/93/553208293.db2.gz QHVFGRNHICHHAN-DEOSSOPVSA-N 0 0 511.405 6.263 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009122353 553212150 /nfs/dbraw/zinc/21/21/50/553212150.db2.gz BHILSQCITLUNTE-XDNZSQCXSA-N 0 0 501.652 6.811 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124462 553212822 /nfs/dbraw/zinc/21/28/22/553212822.db2.gz CQGJLYZALSCQQT-IVCQMTBJSA-N 0 0 512.587 5.725 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1Br ZINC000009144802 553213795 /nfs/dbraw/zinc/21/37/95/553213795.db2.gz GFWAIAXUOIOZEN-UBFVSLLYSA-N 0 0 514.810 6.387 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@@H]2c1cccnc1 ZINC000009183454 553216573 /nfs/dbraw/zinc/21/65/73/553216573.db2.gz GROPEUSLTMSKRK-RUZDIDTESA-N 0 0 502.412 6.301 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009178744 553216596 /nfs/dbraw/zinc/21/65/96/553216596.db2.gz FBJVZPXALWIJFT-RUZDIDTESA-N 0 0 514.603 6.185 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009185032 553217055 /nfs/dbraw/zinc/21/70/55/553217055.db2.gz HONSAICEINKHDN-NDEPHWFRSA-N 0 0 530.621 5.611 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009185674 553217451 /nfs/dbraw/zinc/21/74/51/553217451.db2.gz DDFLZMDHMYDWMN-QFIPXVFZSA-N 0 0 518.591 5.203 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186569 553217679 /nfs/dbraw/zinc/21/76/79/553217679.db2.gz ZCTZBSPRSYLQRG-XMMPIXPASA-N 0 0 500.551 6.092 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186762 553217841 /nfs/dbraw/zinc/21/78/41/553217841.db2.gz NJSZSVZTLMEWNY-VWLOTQADSA-N 0 0 512.587 5.961 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000009190016 553218238 /nfs/dbraw/zinc/21/82/38/553218238.db2.gz MVURFWVERIYHRR-DNQXCXABSA-N 0 0 506.598 6.619 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009190946 553218396 /nfs/dbraw/zinc/21/83/96/553218396.db2.gz QTRDVIOQXRWDIZ-XMMPIXPASA-N 0 0 514.559 5.167 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000009190947 553218435 /nfs/dbraw/zinc/21/84/35/553218435.db2.gz QTRDVIOQXRWDIZ-DEOSSOPVSA-N 0 0 514.559 5.167 50 30 KKEARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccc(CC#N)cc3)cnn2-c2ccc(F)cc2F)CC1 ZINC000009228008 553222913 /nfs/dbraw/zinc/22/29/13/553222913.db2.gz YGQUQTKFSNXZIG-UHFFFAOYSA-N 0 0 521.568 5.583 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009233757 553224530 /nfs/dbraw/zinc/22/45/30/553224530.db2.gz ALYUYYKIQOZLFI-RCRUUEGKSA-N 0 0 512.606 6.547 50 30 biogenic KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009234364 553224976 /nfs/dbraw/zinc/22/49/76/553224976.db2.gz LXSIVJTXJCVAKC-XMMPIXPASA-N 0 0 512.587 5.791 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009240114 553226047 /nfs/dbraw/zinc/22/60/47/553226047.db2.gz CAFGUMMHUXJQKI-AREMUKBSSA-N 0 0 526.658 7.002 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240796 553226086 /nfs/dbraw/zinc/22/60/86/553226086.db2.gz QPPRYJRCVXHTNP-HSZRJFAPSA-N 0 0 520.994 6.058 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009241647 553226267 /nfs/dbraw/zinc/22/62/67/553226267.db2.gz BRWYLTNWHFLIOX-QHCPKHFHSA-N 0 0 520.994 6.058 50 30 KKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000009259147 553227829 /nfs/dbraw/zinc/22/78/29/553227829.db2.gz NIZKZIZTEANCAG-UHFFFAOYSA-N 0 0 506.627 6.749 50 30 KKEARN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000009260623 553228143 /nfs/dbraw/zinc/22/81/43/553228143.db2.gz QMSRDORDECYOFC-UHFFFAOYSA-N 0 0 503.392 6.618 50 30 KKEARN O=C(Cc1cccs1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264234 553228824 /nfs/dbraw/zinc/22/88/24/553228824.db2.gz JHOCRMSNPIMRPL-SLQAJWMNSA-N 0 0 515.034 7.138 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264335 553229120 /nfs/dbraw/zinc/22/91/20/553229120.db2.gz INDBITLVUBZOOY-WRGVRERRSA-N 0 0 505.574 6.894 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1 ZINC000009272249 553231526 /nfs/dbraw/zinc/23/15/26/553231526.db2.gz HZDWISINCIUVRJ-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009275077 553232610 /nfs/dbraw/zinc/23/26/10/553232610.db2.gz XWZSWQSVKYGXDN-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009280227 553233120 /nfs/dbraw/zinc/23/31/20/553233120.db2.gz JOWFCEZEDLFOLF-RUZDIDTESA-N 0 0 517.050 7.473 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009292774 553235068 /nfs/dbraw/zinc/23/50/68/553235068.db2.gz PJAAOLIYZNVFIQ-XMMPIXPASA-N 0 0 508.018 5.511 50 30 KKEARN Brc1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)cc1 ZINC000009296430 553235760 /nfs/dbraw/zinc/23/57/60/553235760.db2.gz ASDIRWWHBOXCDO-YZSQISJMSA-N 0 0 510.440 5.321 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000009302151 553236454 /nfs/dbraw/zinc/23/64/54/553236454.db2.gz MIVODXLOWUNYJA-XMMPIXPASA-N 0 0 500.620 6.895 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009308715 553237730 /nfs/dbraw/zinc/23/77/30/553237730.db2.gz FFLWWJSHRIQDMK-QUGAMOGWSA-N 0 0 510.615 6.273 50 30 KKEARN Clc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000009311172 553239317 /nfs/dbraw/zinc/23/93/17/553239317.db2.gz SCQULJLLMWXKRZ-UZWMFBFFSA-N 0 0 511.850 8.978 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009312105 553240070 /nfs/dbraw/zinc/24/00/70/553240070.db2.gz XLOQOPKCXREUEG-AFJIDDCJSA-N 0 0 527.617 5.976 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000009312629 553240461 /nfs/dbraw/zinc/24/04/61/553240461.db2.gz PEPDSEOWSIUHSJ-UPCLLVRISA-N 0 0 504.380 5.551 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312766 553240711 /nfs/dbraw/zinc/24/07/11/553240711.db2.gz AQOXLHRCYZOJFB-OLILMLBXSA-N 0 0 527.617 5.976 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cccc([C@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)c2)cc1 ZINC000009327337 553241707 /nfs/dbraw/zinc/24/17/07/553241707.db2.gz TWXYKRSLXYUJNS-AREMUKBSSA-N 0 0 525.626 5.700 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009334544 553243346 /nfs/dbraw/zinc/24/33/46/553243346.db2.gz CQTBWVBAGCULNB-FYSMJZIKSA-N 0 0 504.380 5.551 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009349949 553244922 /nfs/dbraw/zinc/24/49/22/553244922.db2.gz KNXRNMUDDVMPGX-CLYVBNDRSA-N 0 0 524.642 6.582 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009349947 553244970 /nfs/dbraw/zinc/24/49/70/553244970.db2.gz KNXRNMUDDVMPGX-DNOBIOAJSA-N 0 0 524.642 6.582 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009349946 553245001 /nfs/dbraw/zinc/24/50/01/553245001.db2.gz KNXRNMUDDVMPGX-MYUZEXMDSA-N 0 0 524.642 6.582 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350878 553245286 /nfs/dbraw/zinc/24/52/86/553245286.db2.gz PHPWPJKDXWPOQQ-OYLFLEFRSA-N 0 0 517.006 6.364 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009354050 553245824 /nfs/dbraw/zinc/24/58/24/553245824.db2.gz XDRPSZWCHRHSQV-RCRUUEGKSA-N 0 0 525.645 6.400 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)cc1 ZINC000009354837 553246167 /nfs/dbraw/zinc/24/61/67/553246167.db2.gz PLSJSVJGPWFSMX-HOSHDJOUSA-N 0 0 531.747 7.522 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009357192 553246782 /nfs/dbraw/zinc/24/67/82/553246782.db2.gz BTXFQYRDPZXLFI-HFJWLAOPSA-N 0 0 510.615 6.328 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009357657 553246901 /nfs/dbraw/zinc/24/69/01/553246901.db2.gz UPNKLMYBXKPODX-URAOTHONSA-N 0 0 524.617 6.023 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009358003 553247211 /nfs/dbraw/zinc/24/72/11/553247211.db2.gz ZLMADZVKLURLTD-IZHWHUGBSA-N 0 0 500.551 5.850 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009357881 553247223 /nfs/dbraw/zinc/24/72/23/553247223.db2.gz KWLIMVNNCLKXJE-RUZDIDTESA-N 0 0 514.603 6.049 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000009357972 553247265 /nfs/dbraw/zinc/24/72/65/553247265.db2.gz PBRGMDQWCDQTMI-XMMPIXPASA-N 0 0 510.373 5.586 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360824 553248628 /nfs/dbraw/zinc/24/86/28/553248628.db2.gz MFJVWRHSOJOOPA-JCQPUDPBSA-N 0 0 518.978 5.762 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000009380154 553251675 /nfs/dbraw/zinc/25/16/75/553251675.db2.gz UKSFPVCBBKEFQY-IIMAJNMQSA-N 0 0 526.633 6.269 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009380582 553251956 /nfs/dbraw/zinc/25/19/56/553251956.db2.gz JVALQYIPCJGNNO-NRFANRHFSA-N 0 0 505.393 6.150 50 30 KKEARN CCCC[C@@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000009424006 553258230 /nfs/dbraw/zinc/25/82/30/553258230.db2.gz KFKKKQBDOZDTGA-NNLCKWJRSA-N 0 0 504.450 5.491 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424842 553258886 /nfs/dbraw/zinc/25/88/86/553258886.db2.gz PDYAVSCHANAQMO-NDEPHWFRSA-N 0 0 513.590 5.458 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009424970 553259076 /nfs/dbraw/zinc/25/90/76/553259076.db2.gz SZICAGVRBYQZMZ-MUUNZHRXSA-N 0 0 523.589 5.145 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000009428243 553260375 /nfs/dbraw/zinc/26/03/75/553260375.db2.gz CHURCBGYACMLGM-DSWYMIRZSA-N 0 0 507.999 5.287 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000009434887 553263965 /nfs/dbraw/zinc/26/39/65/553263965.db2.gz YVBQQIOZDOUOJG-XJFCNFDWSA-N 0 0 515.569 6.805 50 30 KKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1 ZINC000009434621 553263967 /nfs/dbraw/zinc/26/39/67/553263967.db2.gz RHIWNPRNVMZUPY-SSEXGKCCSA-N 0 0 508.618 6.479 50 30 KKEARN CC1(C)Cc2nc(SCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(C#N)cc2C(=O)C1 ZINC000009434443 553263994 /nfs/dbraw/zinc/26/39/94/553263994.db2.gz IFVICNJBRYSYTJ-UHFFFAOYSA-N 0 0 504.011 5.724 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000009435131 553264061 /nfs/dbraw/zinc/26/40/61/553264061.db2.gz FLTKCNHAFRCLCN-DFHRPNOPSA-N 0 0 521.679 5.752 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1Cc1cccnc1 ZINC000009436594 553264518 /nfs/dbraw/zinc/26/45/18/553264518.db2.gz GMIBGBQBPTWQGM-MUUNZHRXSA-N 0 0 506.558 5.448 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009446226 553265583 /nfs/dbraw/zinc/26/55/83/553265583.db2.gz LEJSYYCGIBGAPM-MHZLTWQESA-N 0 0 524.642 6.937 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)N(C)c5ccccc5)n42)COC(C)(C)C3)cc1 ZINC000009451279 553265972 /nfs/dbraw/zinc/26/59/72/553265972.db2.gz XSQQHIXWMDSLHQ-UHFFFAOYSA-N 0 0 512.639 5.259 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009451968 553265973 /nfs/dbraw/zinc/26/59/73/553265973.db2.gz XZJUZLTUJQZCLF-MRDQGFSESA-N 0 0 503.551 5.179 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009451664 553265987 /nfs/dbraw/zinc/26/59/87/553265987.db2.gz YAEWTGQQPAONDQ-HSZRJFAPSA-N 0 0 508.368 5.639 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccco1 ZINC000009452035 553266087 /nfs/dbraw/zinc/26/60/87/553266087.db2.gz JSUPHSLJZOSFQO-JIYROHSKSA-N 0 0 510.678 8.058 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccco1 ZINC000009452029 553266192 /nfs/dbraw/zinc/26/61/92/553266192.db2.gz JSUPHSLJZOSFQO-HEIROHQZSA-N 0 0 510.678 8.058 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000009454680 553266355 /nfs/dbraw/zinc/26/63/55/553266355.db2.gz CCUUTWBIFKLKEW-HSZRJFAPSA-N 0 0 502.523 5.298 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009460949 553267132 /nfs/dbraw/zinc/26/71/32/553267132.db2.gz KJCANPCOJHJEFP-GDLZYMKVSA-N 0 0 529.633 5.978 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000009461044 553267200 /nfs/dbraw/zinc/26/72/00/553267200.db2.gz CQPGIXVSHSLFBK-QHCPKHFHSA-N 0 0 502.548 5.110 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009461568 553267785 /nfs/dbraw/zinc/26/77/85/553267785.db2.gz UKXRURBTHFSNKB-QHCPKHFHSA-N 0 0 504.564 5.560 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009461528 553267807 /nfs/dbraw/zinc/26/78/07/553267807.db2.gz LQDRESWYGCINLT-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN CCCC[C@@H]1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009462144 553268108 /nfs/dbraw/zinc/26/81/08/553268108.db2.gz ZQQDXVNIFYOVEW-BEVFGFMPSA-N 0 0 524.484 6.635 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009462088 553268144 /nfs/dbraw/zinc/26/81/44/553268144.db2.gz HARGPBPRGKWQTP-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009462936 553268697 /nfs/dbraw/zinc/26/86/97/553268697.db2.gz YCTRVXBLLCLDIS-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000009463032 553268728 /nfs/dbraw/zinc/26/87/28/553268728.db2.gz XEWAUSPGZQZHRP-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000009463307 553268876 /nfs/dbraw/zinc/26/88/76/553268876.db2.gz UFQSCUHBUJPFST-SANMLTNESA-N 0 0 525.630 6.079 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009463492 553269101 /nfs/dbraw/zinc/26/91/01/553269101.db2.gz DFQVZYIGCAHYBZ-SSEXGKCCSA-N 0 0 518.613 6.310 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000009471302 553270022 /nfs/dbraw/zinc/27/00/22/553270022.db2.gz FCNPNBAMKVZKPD-CRICUBBOSA-N 0 0 518.407 5.594 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000009497411 553274707 /nfs/dbraw/zinc/27/47/07/553274707.db2.gz WMFFQAQLOZUMKS-HSZRJFAPSA-N 0 0 531.491 5.473 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009504686 553275630 /nfs/dbraw/zinc/27/56/30/553275630.db2.gz SSGBEVMPKMVMTQ-LJAQVGFWSA-N 0 0 516.041 6.604 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000009507090 553275761 /nfs/dbraw/zinc/27/57/61/553275761.db2.gz XQNOMSGVPWSLMQ-MUUNZHRXSA-N 0 0 525.580 5.578 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009507601 553275935 /nfs/dbraw/zinc/27/59/35/553275935.db2.gz LGTYRLXELYRZFH-AREMUKBSSA-N 0 0 510.615 6.376 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009507586 553276001 /nfs/dbraw/zinc/27/60/01/553276001.db2.gz NLLGBTIKPGBQOU-SANMLTNESA-N 0 0 505.998 5.842 50 30 KKEARN CCCCc1c/c(=N\OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000009531284 553277804 /nfs/dbraw/zinc/27/78/04/553277804.db2.gz HILUBMRDZDCMTO-TUAZGVTNSA-N 0 0 526.674 6.466 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000009554019 553278878 /nfs/dbraw/zinc/27/88/78/553278878.db2.gz MTNBBLALQPBGQW-SKCUWOTOSA-N 0 0 507.074 6.499 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009583910 553282393 /nfs/dbraw/zinc/28/23/93/553282393.db2.gz CFWDHYGLZCCWQG-QYZUTXGSSA-N 0 0 523.593 5.241 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1Br ZINC000009597372 553283743 /nfs/dbraw/zinc/28/37/43/553283743.db2.gz LJNTYGKYLNUUPK-QFIPXVFZSA-N 0 0 511.445 5.672 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000009598249 553284179 /nfs/dbraw/zinc/28/41/79/553284179.db2.gz VDTQLSNGNXLDAL-XJFCNFDWSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(C)cc2)cc1OC ZINC000009598286 553284321 /nfs/dbraw/zinc/28/43/21/553284321.db2.gz UBTLGXDPHRRRRM-QXNWPYRLSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(F)cc2)cc1OC ZINC000009598327 553284511 /nfs/dbraw/zinc/28/45/11/553284511.db2.gz CJPRHNWQOPZIKK-YKGWIAGDSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000009598316 553284552 /nfs/dbraw/zinc/28/45/52/553284552.db2.gz AIHSZONOIAHCDV-RCRUUEGKSA-N 0 0 524.617 5.718 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000009608782 553287734 /nfs/dbraw/zinc/28/77/34/553287734.db2.gz OURFVIPGLFXGRB-JOCHJYFZSA-N 0 0 517.651 5.588 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608814 553287796 /nfs/dbraw/zinc/28/77/96/553287796.db2.gz FOVFLYDBIVMVLO-HSZRJFAPSA-N 0 0 517.651 5.588 50 30 KKEARN COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000009635920 553292153 /nfs/dbraw/zinc/29/21/53/553292153.db2.gz UCZITECQZOFINN-BNHRFMORSA-N 0 0 516.597 6.611 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1ccc(Cl)cc1)N2 ZINC000009680358 553296628 /nfs/dbraw/zinc/29/66/28/553296628.db2.gz MMDJCGGJGJRQCI-XJFCNFDWSA-N 0 0 505.017 7.551 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763580 553303431 /nfs/dbraw/zinc/30/34/31/553303431.db2.gz ROZKAQLTADBWKM-PNJMJVHGSA-N 0 0 510.015 5.518 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)sc2C1 ZINC000009775330 553303810 /nfs/dbraw/zinc/30/38/10/553303810.db2.gz VBQXZZGBNYFSRN-CYBMUJFWSA-N 0 0 513.545 6.345 50 30 KKEARN Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)cc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775617 553304308 /nfs/dbraw/zinc/30/43/08/553304308.db2.gz UUQJDFXRHRQNCG-UHFFFAOYSA-N 0 0 508.489 8.192 50 30 KKEARN Cc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000009775658 553304452 /nfs/dbraw/zinc/30/44/52/553304452.db2.gz QJTCQRDDUTYNNH-UHFFFAOYSA-N 0 0 508.489 8.192 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000009777726 553306895 /nfs/dbraw/zinc/30/68/95/553306895.db2.gz RYMGNYYRSYEQJK-NGQVCNFZSA-N 0 0 532.681 5.483 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000009779499 553307437 /nfs/dbraw/zinc/30/74/37/553307437.db2.gz UTKOMRICIMQFRZ-GPNASLBKSA-N 0 0 514.581 6.626 50 30 KKEARN CN(C)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009781054 553307779 /nfs/dbraw/zinc/30/77/79/553307779.db2.gz XCDOGDYAMCJJDD-QFIPXVFZSA-N 0 0 504.631 5.880 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2cccs2)cc1OC ZINC000009805168 553308280 /nfs/dbraw/zinc/30/82/80/553308280.db2.gz YYKIFUNNIZUUGN-WINIVTDRSA-N 0 0 527.708 5.813 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OCc1ccccc1 ZINC000009805268 553308312 /nfs/dbraw/zinc/30/83/12/553308312.db2.gz UODGOWWSTVMVNK-OOXUFLSTSA-N 0 0 516.641 7.562 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000009805286 553308610 /nfs/dbraw/zinc/30/86/10/553308610.db2.gz GDOOCSNVPWJKMF-JXSYCYSGSA-N 0 0 508.621 7.881 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000009805287 553308613 /nfs/dbraw/zinc/30/86/13/553308613.db2.gz GDOOCSNVPWJKMF-IJAHGLKVSA-N 0 0 508.621 7.881 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)c1 ZINC000009861292 553314145 /nfs/dbraw/zinc/31/41/45/553314145.db2.gz ZOTFABQHNJQQKP-MHZLTWQESA-N 0 0 524.573 5.097 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861201 553314165 /nfs/dbraw/zinc/31/41/65/553314165.db2.gz FZJWBXBCRXTMJT-JOCHJYFZSA-N 0 0 522.468 6.302 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccccc2OCC)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000009907691 553316181 /nfs/dbraw/zinc/31/61/81/553316181.db2.gz CJUAOWAFKTXABK-ANRZLXOVSA-N 0 0 532.706 7.477 50 30 KKEARN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CC[C@H](C(C)(C)C)C3)cc1 ZINC000009907694 553316228 /nfs/dbraw/zinc/31/62/28/553316228.db2.gz NQLHXULVEBMBPI-MKWQWOMNSA-N 0 0 520.695 7.318 50 30 KKEARN O=C1c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000009969240 553322195 /nfs/dbraw/zinc/32/21/95/553322195.db2.gz NIMSSISFQGJKGK-OVVQPSECSA-N 0 0 517.006 6.619 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009985154 553323615 /nfs/dbraw/zinc/32/36/15/553323615.db2.gz SFSASJUSQJUBDK-IBVKSMDESA-N 0 0 515.704 6.482 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000009985175 553323618 /nfs/dbraw/zinc/32/36/18/553323618.db2.gz GSOPHVKPNXSDEW-IBGZPJMESA-N 0 0 504.475 5.543 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCS(=O)(=O)c1nc2ccccc2s1 ZINC000009993043 553323769 /nfs/dbraw/zinc/32/37/69/553323769.db2.gz RBSKVTRMAOFIQZ-UHFFFAOYSA-N 0 0 513.669 6.463 50 30 KKEARN CC(C)(C)c1ccc([S@](=O)C[C@@H](O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000009993164 553323782 /nfs/dbraw/zinc/32/37/82/553323782.db2.gz MXBZKEJWZVZWEX-RSUXDYMJSA-N 0 0 526.727 6.846 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993823 553324125 /nfs/dbraw/zinc/32/41/25/553324125.db2.gz IJHWHSPLIOVTET-NDEPHWFRSA-N 0 0 520.670 5.208 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000010013529 553326102 /nfs/dbraw/zinc/32/61/02/553326102.db2.gz OUYDNSIQNFBBLY-WRONEBCDSA-N 0 0 512.581 5.843 50 30 KKEARN CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OCC)c1OCC ZINC000010039370 553326430 /nfs/dbraw/zinc/32/64/30/553326430.db2.gz VWTRDDPISLLWKP-QGZVFWFLSA-N 0 0 529.728 6.094 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3Sc4ccccc4N=C4c5ccccc5C(=O)C43)cc2)cc1 ZINC000010059692 553327350 /nfs/dbraw/zinc/32/73/50/553327350.db2.gz APRFKUDYCVSXSU-GDLZYMKVSA-N 0 0 511.624 6.629 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 ZINC000011852152 553344119 /nfs/dbraw/zinc/34/41/19/553344119.db2.gz VCOMJXIRGPQDCD-UHFFFAOYSA-N 0 0 573.896 5.949 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3c(F)cccc3Cl)C4=O)c2c1 ZINC000011868773 553348048 /nfs/dbraw/zinc/34/80/48/553348048.db2.gz APCVVOFDPNDDPX-YUMHPJSZSA-N 0 0 540.930 7.736 50 30 KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(Cl)cc3Cl)C4=O)c2c1 ZINC000011868693 553348064 /nfs/dbraw/zinc/34/80/64/553348064.db2.gz FKDFQFBIWIJFHQ-VROXFSQNSA-N 0 0 509.341 7.282 50 30 KKEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)c3c(C)oc4ccc(OCc5ccccc5)cc43)ccc2C1=O ZINC000011868978 553348224 /nfs/dbraw/zinc/34/82/24/553348224.db2.gz RFZZMGKOKNXLEF-UHBFCERESA-N 0 0 532.548 7.164 50 30 biogenic KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O ZINC000011869098 553348236 /nfs/dbraw/zinc/34/82/36/553348236.db2.gz AQVHREREXKGWAE-MWLSYYOVSA-N 0 0 571.412 8.462 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3c(Cl)cccc3Cl)C4=O)c2c1 ZINC000011868779 553348266 /nfs/dbraw/zinc/34/82/66/553348266.db2.gz CWBHWCPWFUFGCO-QRQIAZFYSA-N 0 0 571.412 8.641 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C)o3)C4=O)c2c1 ZINC000011869394 553348293 /nfs/dbraw/zinc/34/82/93/553348293.db2.gz ILUXDSOKWJBPSU-PKAZHMFMSA-N 0 0 506.510 7.235 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)cc1 ZINC000011868932 553348296 /nfs/dbraw/zinc/34/82/96/553348296.db2.gz NLIQGUOTIHEQFR-UHBFCERESA-N 0 0 532.548 7.164 50 30 biogenic KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012193681 553353869 /nfs/dbraw/zinc/35/38/69/553353869.db2.gz PLXFFWUGEDLSES-IAPPQJPRSA-N 0 0 503.440 7.380 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)C(c2ccc(Cl)cc2Cl)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000012340686 553358694 /nfs/dbraw/zinc/35/86/94/553358694.db2.gz YAKVYAAFRMJZGZ-DHLKQENFSA-N 0 0 509.349 5.735 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C1/SC(=S)N(C)N[C@@H]1c1ccccc1 ZINC000012367410 553359749 /nfs/dbraw/zinc/35/97/49/553359749.db2.gz JBYJWKGPGSNCHQ-ZWQXNJDPSA-N 0 0 507.424 5.637 50 30 KKEARN O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCC1CCCCC1)N2 ZINC000012374781 553360956 /nfs/dbraw/zinc/36/09/56/553360956.db2.gz UBVNUTACGAVBCV-UHFFFAOYSA-N 0 0 506.422 5.169 50 30 KKEARN NC1=C(C(=O)Nc2nccs2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1c1cccc(C(F)(F)F)c1 ZINC000012376120 553361215 /nfs/dbraw/zinc/36/12/15/553361215.db2.gz FJYOUVUWUCIBDC-FQEVSTJZSA-N 0 0 510.541 5.582 50 30 KKEARN O=C(/C=C/c1ccccc1)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000012375754 553361228 /nfs/dbraw/zinc/36/12/28/553361228.db2.gz GXXWKOQUIBSGTC-SEDBHMIUSA-N 0 0 510.387 7.315 50 30 KKEARN O=C1/C(=C/c2cccc(OCc3cccc4ccccc43)c2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000012375810 553361291 /nfs/dbraw/zinc/36/12/91/553361291.db2.gz MMZCFVKYBVWDBC-KLDSALECSA-N 0 0 518.682 8.356 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000012384434 553362450 /nfs/dbraw/zinc/36/24/50/553362450.db2.gz ZUSLCFKSTBQLIT-UHFFFAOYSA-N 0 0 522.379 5.406 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000012384443 553362454 /nfs/dbraw/zinc/36/24/54/553362454.db2.gz AHYYSFKYDDKDKW-AREMUKBSSA-N 0 0 509.408 7.589 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000012402206 553362795 /nfs/dbraw/zinc/36/27/95/553362795.db2.gz BGXGIRDFQUPSQK-HSZRJFAPSA-N 0 0 511.327 5.714 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411743 553363547 /nfs/dbraw/zinc/36/35/47/553363547.db2.gz UCBBGXLXIZIEBX-PBBNMVCDSA-N 0 0 529.681 6.734 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411742 553363552 /nfs/dbraw/zinc/36/35/52/553363552.db2.gz UCBBGXLXIZIEBX-KCWXNJEJSA-N 0 0 529.681 6.734 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411764 553363742 /nfs/dbraw/zinc/36/37/42/553363742.db2.gz TWTXFFLXJGPVMW-UZTOHYMASA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccccc1OC ZINC000012413090 553364313 /nfs/dbraw/zinc/36/43/13/553364313.db2.gz SNZRSYCQYKRFIZ-BATDWUPUSA-N 0 0 519.594 5.606 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416319 553364883 /nfs/dbraw/zinc/36/48/83/553364883.db2.gz PZSMYODEBVBLBO-WGDIFIGCSA-N 0 0 519.022 6.131 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000012416289 553364892 /nfs/dbraw/zinc/36/48/92/553364892.db2.gz ZPVRLWVXRFPENY-QLXKLKPCSA-N 0 0 504.583 5.602 50 30 KKEARN Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000012463032 553367319 /nfs/dbraw/zinc/36/73/19/553367319.db2.gz LXWZWLBMXGTRMP-DEOSSOPVSA-N 0 0 508.899 5.508 50 30 KKEARN CCCCOc1ccc(Br)cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2cccnc2)C1=O ZINC000012467538 553367788 /nfs/dbraw/zinc/36/77/88/553367788.db2.gz VTBHVEBVKDOFPZ-TXLBOVLDSA-N 0 0 522.468 6.827 50 30 KKEARN C=CCn1c(C)cc(C(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c1C ZINC000012531778 553386407 /nfs/dbraw/zinc/38/64/07/553386407.db2.gz IURFCRCSXWVKNI-UHFFFAOYSA-N 0 0 503.693 5.964 50 30 KKEARN O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000012546851 553391993 /nfs/dbraw/zinc/39/19/93/553391993.db2.gz AZEOWMXYFXSVOQ-UHFFFAOYSA-N 0 0 520.680 5.569 50 30 KKEARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000012569696 553398039 /nfs/dbraw/zinc/39/80/39/553398039.db2.gz SZETYZLEFVEYPR-IBGZPJMESA-N 0 0 503.027 5.526 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2OC)cc1 ZINC000012652394 553410031 /nfs/dbraw/zinc/41/00/31/553410031.db2.gz DFCSYOZGSFJHOZ-UKPGIYTDSA-N 0 0 520.585 6.511 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2OC)cc1 ZINC000012652403 553410051 /nfs/dbraw/zinc/41/00/51/553410051.db2.gz DFCSYOZGSFJHOZ-BGOLNKOXSA-N 0 0 520.585 6.511 50 30 KKEARN COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@@]54C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000012658657 553411199 /nfs/dbraw/zinc/41/11/99/553411199.db2.gz WLYQWRSVIUXFMI-UFLSSKAASA-N 0 0 524.742 6.992 50 30 biogenic KKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000012662269 553412409 /nfs/dbraw/zinc/41/24/09/553412409.db2.gz SLOPQSZJVVHKBM-OCUMJRHESA-N 0 0 527.727 6.293 50 30 biogenic KKEARN C=CCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000012692596 553412974 /nfs/dbraw/zinc/41/29/74/553412974.db2.gz NEQOOFHZQWLBSY-UHFFFAOYSA-N 0 0 517.592 5.870 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc([C@H](/C=N\OCc2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc2Cl)s1 ZINC000012858752 553422630 /nfs/dbraw/zinc/42/26/30/553422630.db2.gz VMTQGRONIWWASJ-XJRARCHGSA-N 0 0 580.481 6.834 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc([C@@H](/C=N\OCc2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc2Cl)s1 ZINC000012858745 553422656 /nfs/dbraw/zinc/42/26/56/553422656.db2.gz VMTQGRONIWWASJ-OYLQIVMRSA-N 0 0 580.481 6.834 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3ccc(Cl)cc3)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000012955066 553429314 /nfs/dbraw/zinc/42/93/14/553429314.db2.gz GRUVQFDXXZUIKQ-NNLKUIAGSA-N 0 0 609.578 10.052 50 30 KKEARN Cc1ccc(CO/N=C/[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H](/C=N\OCc3ccc(C)cc3)C2=O)cc1 ZINC000012954737 553429342 /nfs/dbraw/zinc/42/93/42/553429342.db2.gz ZCEWUNRDMDCCAA-LSBJWJORSA-N 0 0 514.582 5.238 50 30 KKEARN Cn1nc(C(F)(F)F)c(CO/N=C/c2ccc(Cl)cc2Cl)c1Sc1ccc(Br)cc1 ZINC000012955713 553429530 /nfs/dbraw/zinc/42/95/30/553429530.db2.gz NYNXGICYFYNIPP-JQAMDZJQSA-N 0 0 539.204 7.210 50 30 KKEARN O=C(NC=NOCc1c(Cl)cccc1Cl)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000012956122 553429747 /nfs/dbraw/zinc/42/97/47/553429747.db2.gz AKHARZHFYUMOSQ-LJQANCHMSA-N 0 0 551.179 7.122 50 30 KKEARN O=C(O/N=C(\c1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000012957246 553429913 /nfs/dbraw/zinc/42/99/13/553429913.db2.gz KCPGAKMODQGNHH-SFJKOWAJSA-N 0 0 513.635 8.318 50 30 KKEARN FC(F)(F)c1cnc(N2CCN(CCOc3ccccc3/C=N/OCc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000012958990 553430301 /nfs/dbraw/zinc/43/03/01/553430301.db2.gz ZLAMTJAQVVPIMV-MHDJOFBISA-N 0 0 553.412 6.159 50 30 KKEARN O=C(Nc1ccccc1)N(/C=N/OCc1c(Cl)cccc1Cl)OCc1c(Cl)cccc1Cl ZINC000012960238 553430576 /nfs/dbraw/zinc/43/05/76/553430576.db2.gz RYOGREXWQSSOHU-MZJWZYIUSA-N 0 0 513.208 7.426 50 30 KKEARN Cc1ccccc1-n1c(SCC(=O)N(CCC#N)c2ccccc2F)nnc1-c1ccc(Cl)cc1 ZINC000013097818 553446772 /nfs/dbraw/zinc/44/67/72/553446772.db2.gz DDWGGMHIPVGBGR-UHFFFAOYSA-N 0 0 506.006 6.074 50 30 KKEARN COC(=O)CCCCCC/N=C1\S/C(=C2\Sc3ccc(OC)cc3N2C)C(=O)N1c1ccc(C)cc1 ZINC000013285779 553457595 /nfs/dbraw/zinc/45/75/95/553457595.db2.gz NAWLANFRQKZFAZ-GZCDXWOBSA-N 0 0 525.696 5.974 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(Oc2ccccc2)cc1 ZINC000013286188 553457769 /nfs/dbraw/zinc/45/77/69/553457769.db2.gz PTKZRQFEIJXCDE-NPGLLJSBSA-N 0 0 522.095 7.907 50 30 KKEARN CCN(c1ccccc1)[P+](Nc1n[nH]c(=O)[n-]c1=O)(N(CC)c1ccccc1)N(CC)c1ccccc1 ZINC000013301052 553457813 /nfs/dbraw/zinc/45/78/13/553457813.db2.gz MONWCGJMIOGGIB-UHFFFAOYSA-O 0 0 518.582 5.127 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000013388535 553458987 /nfs/dbraw/zinc/45/89/87/553458987.db2.gz VKWWBOPOKPOMRS-BDOPKQKUSA-N 0 0 503.639 5.970 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000013424079 553459387 /nfs/dbraw/zinc/45/93/87/553459387.db2.gz VOIVDXZVOPVDNJ-WGCOJADFSA-N 0 0 501.233 5.736 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013550608 553470134 /nfs/dbraw/zinc/47/01/34/553470134.db2.gz LOTCVAQTTUVMAP-QHCPKHFHSA-N 0 0 504.633 6.492 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1C ZINC000013549446 553470167 /nfs/dbraw/zinc/47/01/67/553470167.db2.gz GCACQWFNOIDTGX-RUZDIDTESA-N 0 0 514.603 6.022 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000013569728 553473632 /nfs/dbraw/zinc/47/36/32/553473632.db2.gz VKSLFTRVUSDXHP-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000013570119 553473638 /nfs/dbraw/zinc/47/36/38/553473638.db2.gz KQKKUAMJLZTHJX-MHZLTWQESA-N 0 0 509.562 5.353 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570959 553473851 /nfs/dbraw/zinc/47/38/51/553473851.db2.gz MSTMRYHENJCBKP-HSZRJFAPSA-N 0 0 515.547 5.558 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000013571431 553473859 /nfs/dbraw/zinc/47/38/59/553473859.db2.gz PFNTXYADKVOKBK-LJAQVGFWSA-N 0 0 521.617 5.748 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccc3ccccc32)cc1-c1cccc(F)c1 ZINC000013574117 553474495 /nfs/dbraw/zinc/47/44/95/553474495.db2.gz HJHXIPVFGLMTLK-UHFFFAOYSA-N 0 0 505.530 7.451 50 30 KKEARN Cc1ccc(-c2cc(-c3cccc4ccccc43)nc(Sc3ccc([N+](=O)[O-])cc3C=O)c2C#N)cc1 ZINC000013574251 553474642 /nfs/dbraw/zinc/47/46/42/553474642.db2.gz CYQDWOKQEYMWSN-UHFFFAOYSA-N 0 0 501.567 7.621 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC)C2=O)c(C)c1 ZINC000013618697 553478164 /nfs/dbraw/zinc/47/81/64/553478164.db2.gz UBPRMMAIXPQPFD-XHPQRKPJSA-N 0 0 517.720 7.194 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013685602 553485129 /nfs/dbraw/zinc/48/51/29/553485129.db2.gz YUSDMQXBFOCPEL-CJDFSBOZSA-N 0 0 510.752 6.256 50 30 KKEARN O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000013739277 553487309 /nfs/dbraw/zinc/48/73/09/553487309.db2.gz FWUWQSFDFSKXPV-LSFURLLWSA-N 0 0 505.191 5.888 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Cl)cc3)n1CCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000013764791 553488939 /nfs/dbraw/zinc/48/89/39/553488939.db2.gz VMJGOLSYMLVHNH-PPOKSSTKSA-N 0 0 523.080 7.010 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000013893212 553494338 /nfs/dbraw/zinc/49/43/38/553494338.db2.gz GPJHBWFOIFMUSH-JRPXNJEYSA-N 0 0 524.617 7.110 50 30 KKEARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C(=NN=c4[nH]c5ccccc5s4)C3=O)n2)cc1 ZINC000013896135 553494775 /nfs/dbraw/zinc/49/47/75/553494775.db2.gz ZXPONIMGPLOJHY-FAJYDZGRSA-N 0 0 510.604 5.647 50 30 KKEARN C=CCc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c(OC)c1 ZINC000013899423 553495204 /nfs/dbraw/zinc/49/52/04/553495204.db2.gz COQBBUVVPIWWBU-XHPQRKPJSA-N 0 0 503.645 6.287 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C ZINC000013916063 553495785 /nfs/dbraw/zinc/49/57/85/553495785.db2.gz VPPCSJUGQJHNMM-HHHXNRCGSA-N 0 0 508.058 6.621 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC=C)C1=O ZINC000013943495 553497032 /nfs/dbraw/zinc/49/70/32/553497032.db2.gz FMVXFODOVUATRC-JWGURIENSA-N 0 0 516.482 6.023 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)S2)cc1 ZINC000014008720 553499008 /nfs/dbraw/zinc/49/90/08/553499008.db2.gz QQLXKUAZDSUNCB-LPYMAVHISA-N 0 0 513.388 6.067 50 30 KKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000014671791 553519261 /nfs/dbraw/zinc/51/92/61/553519261.db2.gz PIJPOHANKUTDSL-UHFFFAOYSA-N 0 0 503.050 5.966 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccc(O)cc4)c4ccccc4C3c3ccccc32)cc1 ZINC000014923068 553521496 /nfs/dbraw/zinc/52/14/96/553521496.db2.gz SECIRJFRTAQPAU-XORFNKKDSA-N 0 0 514.581 5.744 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000014944687 553521983 /nfs/dbraw/zinc/52/19/83/553521983.db2.gz PTUJWBQBZIAJDM-DVHCVUMVSA-N 0 0 519.594 5.606 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(/C=N\Cc2cccc3ccccc32)c2ccccc21 ZINC000015133575 553527999 /nfs/dbraw/zinc/52/79/99/553527999.db2.gz LNZXHJMDUKPAMO-PLIZIARFSA-N 0 0 518.616 6.662 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133582 553528244 /nfs/dbraw/zinc/52/82/44/553528244.db2.gz ALSPGQDIZNGPHU-CRMQRMCISA-N 0 0 504.589 6.793 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cc(C)ccc3C)c3ccccc32)cc1 ZINC000015188168 553528630 /nfs/dbraw/zinc/52/86/30/553528630.db2.gz RZYDRKKFHNMHTA-TXAGPFMXSA-N 0 0 512.609 6.265 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)C1c3ccccc3C2c2ccccc21 ZINC000015226379 553529338 /nfs/dbraw/zinc/52/93/38/553529338.db2.gz KXVFZDOLQHTRMD-KQKYNXOCSA-N 0 0 513.380 6.480 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000015945592 553544038 /nfs/dbraw/zinc/54/40/38/553544038.db2.gz LPADWCNQAAHOGE-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1[C@@](c1ccccc1)(C(F)(F)F)N=C(Nc1ccc(C)cc1)O2 ZINC000015981531 553548871 /nfs/dbraw/zinc/54/88/71/553548871.db2.gz ZZENFCDNUQTHOJ-SANMLTNESA-N 0 0 506.484 5.443 50 30 KKEARN CCOc1ccc(CCN=C(Nc2cc(C)cc(C)c2)SCc2ccc(C(=O)OC)cc2)cc1OCC ZINC000015982223 553549041 /nfs/dbraw/zinc/54/90/41/553549041.db2.gz XVAHHQYGUJYZLE-UHFFFAOYSA-N 0 0 520.695 6.641 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000016035595 553552123 /nfs/dbraw/zinc/55/21/23/553552123.db2.gz UUJWEKOPIYOPFR-LZYBPNLTSA-N 0 0 510.637 5.981 50 30 KKEARN COc1c(Br)cc(Br)cc1/C=C1\S/C(=N/c2ccccc2Cl)NC1=O ZINC000016194457 553556283 /nfs/dbraw/zinc/55/62/83/553556283.db2.gz PVXYYZXDEDOTDA-AUWJEWJLSA-N 0 0 502.615 5.765 50 30 KKEARN O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=[NH+][N-]c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000016386087 553562044 /nfs/dbraw/zinc/56/20/44/553562044.db2.gz TUVHWKHGDPSRHX-ORGPHRGMSA-N 0 0 525.539 5.658 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000016572387 553568174 /nfs/dbraw/zinc/56/81/74/553568174.db2.gz DXWPSWCQZGQRGD-UGSOOPFHSA-N 0 0 513.421 5.014 50 30 KKEARN CCCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000016638570 553570564 /nfs/dbraw/zinc/57/05/64/553570564.db2.gz ULKGTYCGPYXSIZ-OVXWJCGASA-N 0 0 500.618 5.642 50 30 KKEARN CCOc1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)ccc1OCc1ccc(Br)cc1 ZINC000016689043 553573458 /nfs/dbraw/zinc/57/34/58/553573458.db2.gz INWQZGRLQTUBJC-VYVUJPJFSA-N 0 0 515.276 6.568 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1 ZINC000016713694 553575141 /nfs/dbraw/zinc/57/51/41/553575141.db2.gz CNWRKZYWWCNZPZ-UQQQWYQISA-N 0 0 501.677 6.556 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016713772 553575348 /nfs/dbraw/zinc/57/53/48/553575348.db2.gz QZYJVRHQYCCRAQ-LJAQVGFWSA-N 0 0 529.633 6.437 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016730896 553576893 /nfs/dbraw/zinc/57/68/93/553576893.db2.gz PWCOVFORRURBFT-MHZLTWQESA-N 0 0 516.594 5.446 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(OC)c(F)c4)sc3n2)cc1 ZINC000016731629 553577085 /nfs/dbraw/zinc/57/70/85/553577085.db2.gz CRUBJMBMHOOUHB-UHFFFAOYSA-N 0 0 502.489 6.508 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731496 553577147 /nfs/dbraw/zinc/57/71/47/553577147.db2.gz VEPTYOXCFBHRHX-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016731739 553577340 /nfs/dbraw/zinc/57/73/40/553577340.db2.gz MQKGIMDVVMMBAX-RUZDIDTESA-N 0 0 509.530 5.393 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732220 553577496 /nfs/dbraw/zinc/57/74/96/553577496.db2.gz SEJLAUIWMIULMA-QHCPKHFHSA-N 0 0 520.607 5.625 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000016733562 553578138 /nfs/dbraw/zinc/57/81/38/553578138.db2.gz AGTIGILBFLCACG-HHHXNRCGSA-N 0 0 511.599 6.114 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000016733399 553578176 /nfs/dbraw/zinc/57/81/76/553578176.db2.gz IAYUPRIRFFLILK-VWLOTQADSA-N 0 0 500.035 6.256 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)cc1 ZINC000016735879 553578830 /nfs/dbraw/zinc/57/88/30/553578830.db2.gz FCQJXTSQLXFPGY-UHFFFAOYSA-N 0 0 527.612 7.412 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000016735612 553578873 /nfs/dbraw/zinc/57/88/73/553578873.db2.gz HRNZBKIBSUVZOC-UHFFFAOYSA-N 0 0 519.976 7.202 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOc3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016735716 553578895 /nfs/dbraw/zinc/57/88/95/553578895.db2.gz WWDBFSZCLLFQHK-MUUNZHRXSA-N 0 0 513.590 5.616 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016736948 553579094 /nfs/dbraw/zinc/57/90/94/553579094.db2.gz PMOLETRXSAFIOE-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016741416 553579788 /nfs/dbraw/zinc/57/97/88/553579788.db2.gz SHDUSANTIQGSEP-KCWPFWIISA-N 0 0 513.546 5.007 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3nc(-c4ccccc4)cs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016741961 553580028 /nfs/dbraw/zinc/58/00/28/553580028.db2.gz CWCHMKODJBRVIV-MUUNZHRXSA-N 0 0 522.626 6.462 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccc(F)cc1)c1ccccc1 ZINC000016751625 553580666 /nfs/dbraw/zinc/58/06/66/553580666.db2.gz QUMRJOUSJVXCKH-ZCTHSVRISA-N 0 0 508.578 7.440 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2C#N)c1 ZINC000016805580 553583016 /nfs/dbraw/zinc/58/30/16/553583016.db2.gz FRVNVLBELSAALC-UHFFFAOYSA-N 0 0 506.347 6.441 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2-c2ccccc2OC)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000016945401 553584300 /nfs/dbraw/zinc/58/43/00/553584300.db2.gz SUJCTJLZXJFYFW-QNKGDIEWSA-N 0 0 520.633 6.121 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2c3ccccc3cc3ccccc32)C1 ZINC000017029177 553586844 /nfs/dbraw/zinc/58/68/44/553586844.db2.gz LCZNZXBQWMSUGH-UUWRZZSWSA-N 0 0 522.648 8.450 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OCCCC)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000017028028 553586929 /nfs/dbraw/zinc/58/69/29/553586929.db2.gz UHMLUOLMMPLJDD-QYTMHSNXSA-N 0 0 536.716 8.346 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(Cl)cc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 ZINC000017045566 553587418 /nfs/dbraw/zinc/58/74/18/553587418.db2.gz YDSJCXLWPBFVRC-UHFFFAOYSA-N 0 0 523.054 6.379 50 30 KKEARN Cc1ccc(NC(=NC23CC4CC(CC(C4)C2)C3)C(=NC23CC4CC(CC(C4)C2)C3)Nc2ccc(C)cc2)cc1 ZINC000017154933 553589303 /nfs/dbraw/zinc/58/93/03/553589303.db2.gz QPOXZIBPNPFBJE-UHFFFAOYSA-N 0 0 534.792 8.371 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242321 553590899 /nfs/dbraw/zinc/59/08/99/553590899.db2.gz YLVVPIASAKMSIF-OAQYLSRUSA-N 0 0 518.595 5.592 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242359 553590939 /nfs/dbraw/zinc/59/09/39/553590939.db2.gz ADUKHUWESFQKCV-QFIPXVFZSA-N 0 0 503.624 5.280 50 30 KKEARN Cc1ccc(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576138 553591175 /nfs/dbraw/zinc/59/11/75/553591175.db2.gz ZWQBGQUZKUXYAV-ONGXEEELSA-N 0 0 585.210 6.806 50 30 KKEARN CC(C)=NOC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575460 553591244 /nfs/dbraw/zinc/59/12/44/553591244.db2.gz KAYBKEWGKUMREV-CAHLUQPWSA-N 0 0 551.149 5.798 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000020150229 553595177 /nfs/dbraw/zinc/59/51/77/553595177.db2.gz XKJWSXVXRPBZOR-UHFFFAOYSA-N 0 0 503.614 6.387 50 30 KKEARN CCOc1ccc(Nc2sc(C(=O)Nc3ccccc3C#N)c(N)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000017576677 553598195 /nfs/dbraw/zinc/59/81/95/553598195.db2.gz YBTOBTJZXXUECI-XMMPIXPASA-N 0 0 532.025 5.646 50 30 KKEARN c1ccc(C(N=Nc2nc3ccccc3nc2N=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000017720589 553599241 /nfs/dbraw/zinc/59/92/41/553599241.db2.gz UIERPIKRSWXCFL-UHFFFAOYSA-N 0 0 518.624 7.359 50 30 KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000070670081 553600020 /nfs/dbraw/zinc/60/00/20/553600020.db2.gz OMHBBCVPUBKOQK-SDTSDLDUSA-N 0 0 603.760 5.024 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000070670032 553600139 /nfs/dbraw/zinc/60/01/39/553600139.db2.gz OZCQRHAJPIKACS-FWZZJMFBSA-N 0 0 526.755 7.188 50 30 biogenic KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(=O)Cc1ccccc1 ZINC000070670125 553600230 /nfs/dbraw/zinc/60/02/30/553600230.db2.gz FFEGNNNGNHNNQF-GUTDQXHJSA-N 0 0 647.806 5.500 50 30 biogenic KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000020158574 553600237 /nfs/dbraw/zinc/60/02/37/553600237.db2.gz MJQRJTLMGGYIQK-QYBDOPJKSA-N 0 0 519.619 5.104 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000018021317 553601725 /nfs/dbraw/zinc/60/17/25/553601725.db2.gz BMUKFZIPJFRJPJ-GKZBKZLQSA-N 0 0 517.025 5.625 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](NC(=O)Cc1ccccc1)C(=O)OCC ZINC000070672310 553602115 /nfs/dbraw/zinc/60/21/15/553602115.db2.gz YSFCPFIEJHIWFT-ZWXJPIIXSA-N 0 0 537.741 7.263 50 30 biogenic KKEARN CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000070673521 553603721 /nfs/dbraw/zinc/60/37/21/553603721.db2.gz MHFJRRFBLLMGGM-CUWQHWEFSA-N 0 0 602.731 8.096 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[nH]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181749 553604669 /nfs/dbraw/zinc/60/46/69/553604669.db2.gz YGRBMCQCQZCOMS-HXUWFJFHSA-N 0 0 523.014 6.237 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1c(C)cc(C)cc1C)cn2CC ZINC000020183384 553604917 /nfs/dbraw/zinc/60/49/17/553604917.db2.gz HUAXSLPDEHZHOH-OGLMXYFKSA-N 0 0 527.760 5.718 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1ccc(C)cc1Cl)cn2C ZINC000020183362 553604910 /nfs/dbraw/zinc/60/49/10/553604910.db2.gz AKFURGWFBDEVKR-YSMPRRRNSA-N 0 0 520.124 5.271 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C(C)C)cc3)C4=O)c2c1 ZINC000070680956 553604952 /nfs/dbraw/zinc/60/49/52/553604952.db2.gz BNWZLVGWQUEOHQ-MNBJERMJSA-N 0 0 544.603 8.457 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(F)cc1 ZINC000018116531 553605078 /nfs/dbraw/zinc/60/50/78/553605078.db2.gz WJOUFJCMEFCKJO-ZZHIIEOYSA-N 0 0 513.657 7.121 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccccc1OCC)cn2CC ZINC000020183392 553605265 /nfs/dbraw/zinc/60/52/65/553605265.db2.gz GLVFKLSCOYYOED-OVVQPSECSA-N 0 0 529.732 5.191 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 ZINC000018140718 553605931 /nfs/dbraw/zinc/60/59/31/553605931.db2.gz VKNHJAFJDMYOCB-OCSSWDANSA-N 0 0 519.464 7.330 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2C)cc1OC ZINC000018154764 553606278 /nfs/dbraw/zinc/60/62/78/553606278.db2.gz FZNJMVBEJCGEFK-IPBJYNAHSA-N 0 0 522.645 6.321 50 30 KKEARN Cc1nnc(SCc2cc(=O)[nH]c(NC(=NC(=O)c3ccccc3)Nc3cccc(Cl)c3)n2)s1 ZINC000018178555 553607625 /nfs/dbraw/zinc/60/76/25/553607625.db2.gz XUWGSUONEGTYGY-UHFFFAOYSA-N 0 0 512.020 5.008 50 30 KKEARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)[C@H](CC)CCCC)c1 ZINC000018180750 553607704 /nfs/dbraw/zinc/60/77/04/553607704.db2.gz KGYMHKNNSBSTMO-SLGOVJDISA-N 0 0 516.726 8.225 50 30 KKEARN COc1cc(/C=N/N(C)c2ccccc2)ccc1-c1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000018193751 553608360 /nfs/dbraw/zinc/60/83/60/553608360.db2.gz DZDVFQSCFSXBQF-UZWMFBFFSA-N 0 0 524.462 7.754 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(Cl)c1Cl ZINC000018197069 553608643 /nfs/dbraw/zinc/60/86/43/553608643.db2.gz OZVZBFCTWGMUTH-QKKBWIMNSA-N 0 0 508.430 6.492 50 30 KKEARN CCN(CC)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018197669 553608997 /nfs/dbraw/zinc/60/89/97/553608997.db2.gz XUPKNADQDCOCAL-FNZWTVRRSA-N 0 0 510.663 6.032 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Cl)c3Cl)C2)cc(OC)c1OC ZINC000018198150 553609176 /nfs/dbraw/zinc/60/91/76/553609176.db2.gz ZEBRYXCOJQJJIH-IPQOISQHSA-N 0 0 501.370 5.026 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](C)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692067 553609360 /nfs/dbraw/zinc/60/93/60/553609360.db2.gz IGWBMSNTXOWCIT-FXTKOAQQSA-N 0 0 550.893 10.412 50 30 biogenic KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018198297 553609434 /nfs/dbraw/zinc/60/94/34/553609434.db2.gz XXAXFVWSPQYGRK-WHEQGISXSA-N 0 0 501.370 5.026 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018198302 553609522 /nfs/dbraw/zinc/60/95/22/553609522.db2.gz XXAXFVWSPQYGRK-DMZKTXOQSA-N 0 0 501.370 5.026 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692235 553610330 /nfs/dbraw/zinc/61/03/30/553610330.db2.gz SZJMBFDWIKYQBS-GADREUMSSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1c(Cl)cc(Cl)cc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000018249681 553611329 /nfs/dbraw/zinc/61/13/29/553611329.db2.gz NFJAMNVPNSXCQS-FQEVSTJZSA-N 0 0 513.343 6.707 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000018250725 553611546 /nfs/dbraw/zinc/61/15/46/553611546.db2.gz LWWZDGPEXWLRMU-WXTAPIANSA-N 0 0 510.487 6.297 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(I)cc1 ZINC000018266526 553611622 /nfs/dbraw/zinc/61/16/22/553611622.db2.gz ZLWKWQCILAJPKS-IBGZPJMESA-N 0 0 511.363 5.383 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000018276795 553611854 /nfs/dbraw/zinc/61/18/54/553611854.db2.gz HHQBUYJNJNCHOQ-GPNASLBKSA-N 0 0 507.609 7.178 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@H]3c3cccs3)C2)cc1OC ZINC000018284670 553612194 /nfs/dbraw/zinc/61/21/94/553612194.db2.gz YIEXZJKFOWCLTR-GDJIYFAZSA-N 0 0 502.636 6.322 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000018285109 553612232 /nfs/dbraw/zinc/61/22/32/553612232.db2.gz BVOQPWIQWCWRNB-JCVFDAPQSA-N 0 0 534.744 8.773 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070697501 553612811 /nfs/dbraw/zinc/61/28/11/553612811.db2.gz OUYPDQHVBQNYBF-PBQPDNDKSA-N 0 0 546.792 8.673 50 30 biogenic KKEARN CC(=O)[C@H]1[C@H]([C@@H](C#N)c2nc(-c3ccccc3)cs2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697699 553612959 /nfs/dbraw/zinc/61/29/59/553612959.db2.gz LWIGAZWGTRVWEI-LWAHHLMLSA-N 0 0 514.735 7.172 50 30 biogenic KKEARN CCCCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F ZINC000070698319 553614113 /nfs/dbraw/zinc/61/41/13/553614113.db2.gz QSVWZQPYLRJDCO-RHAPJLOSSA-N 0 0 602.740 5.949 50 30 biogenic KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5Cl)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070698850 553615023 /nfs/dbraw/zinc/61/50/23/553615023.db2.gz KGRMPAZZOSBBBA-TXUHTRSLSA-N 0 0 525.217 10.195 50 30 biogenic KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770171 553616142 /nfs/dbraw/zinc/61/61/42/553616142.db2.gz UTTMAJAPPIIIAN-DNOBIOAJSA-N 0 0 516.550 5.171 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000019774808 553616351 /nfs/dbraw/zinc/61/63/51/553616351.db2.gz PQJJSAZGUULVDW-XMMPIXPASA-N 0 0 512.400 5.178 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000019827707 553622472 /nfs/dbraw/zinc/62/24/72/553622472.db2.gz XUXRVCBHOLQBIO-DEOSSOPVSA-N 0 0 512.400 5.178 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019848595 553623586 /nfs/dbraw/zinc/62/35/86/553623586.db2.gz DSLBPPIZCMISOU-SSEXGKCCSA-N 0 0 509.602 5.856 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848667 553623592 /nfs/dbraw/zinc/62/35/92/553623592.db2.gz WSFWWJHVIIRXJR-SSEXGKCCSA-N 0 0 523.629 6.705 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000019848589 553623640 /nfs/dbraw/zinc/62/36/40/553623640.db2.gz ZFTAAHUTCSAKMW-JOCHJYFZSA-N 0 0 520.464 5.891 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 ZINC000019848596 553623645 /nfs/dbraw/zinc/62/36/45/553623645.db2.gz DSLBPPIZCMISOU-PMERELPUSA-N 0 0 509.602 5.856 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000019855047 553624086 /nfs/dbraw/zinc/62/40/86/553624086.db2.gz GDZKSQYXJHQXJU-QHCPKHFHSA-N 0 0 526.427 5.511 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019858542 553628950 /nfs/dbraw/zinc/62/89/50/553628950.db2.gz LTEHNDVSJMKXCI-WUMKDDEVSA-N 0 0 523.651 5.251 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019880609 553629095 /nfs/dbraw/zinc/62/90/95/553629095.db2.gz NEYBMRWJRMEGLA-RBISFHTESA-N 0 0 501.623 5.592 50 30 biogenic KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000019881041 553629495 /nfs/dbraw/zinc/62/94/95/553629495.db2.gz ZJNRULCCWZBPKR-DFHRPNOPSA-N 0 0 503.595 5.181 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000019892304 553630604 /nfs/dbraw/zinc/63/06/04/553630604.db2.gz CXNQCSKAVCVGDQ-FZBPCLLLSA-N 0 0 510.030 6.061 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000019892338 553630616 /nfs/dbraw/zinc/63/06/16/553630616.db2.gz IEPHVMGAFSULLF-CJBMVKJXSA-N 0 0 535.637 5.424 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000019892439 553630880 /nfs/dbraw/zinc/63/08/80/553630880.db2.gz IVULQKYFYDTKKT-PPHZAIPVSA-N 0 0 525.642 5.501 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000019892601 553631080 /nfs/dbraw/zinc/63/10/80/553631080.db2.gz AVGGARYPVPEIMQ-CJBMVKJXSA-N 0 0 505.611 5.416 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCC ZINC000019892696 553631346 /nfs/dbraw/zinc/63/13/46/553631346.db2.gz MUHDAAQVPVEKAQ-ONOMSOESSA-N 0 0 519.638 5.807 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000019892716 553631371 /nfs/dbraw/zinc/63/13/71/553631371.db2.gz OXIXMDMLCJOISA-DFHRPNOPSA-N 0 0 521.679 5.670 50 30 KKEARN CC(C)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)N(CCC#N)C(=O)CO4)n2)cc1 ZINC000019893984 553631781 /nfs/dbraw/zinc/63/17/81/553631781.db2.gz PWKSQCDWUXSJDD-UHFFFAOYSA-N 0 0 522.048 7.574 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000019904793 553633117 /nfs/dbraw/zinc/63/31/17/553633117.db2.gz DAQZOHPYWPPOQG-WVXBCFDCSA-N 0 0 525.601 5.514 50 30 KKEARN C=C[C@@](C)(CO[C@H]1CCCCO1)C[C@@H]1O[C@@H](Sc2ccccc2)[C@@]23[C@H](O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786303 553637461 /nfs/dbraw/zinc/63/74/61/553637461.db2.gz XKEBWYLKXGJFQW-RXXSNHHTSA-N 0 0 500.745 6.823 50 30 KKEARN C=CCn1c2nnc(SCc3ccc(F)cc3)n2c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000020358246 553642875 /nfs/dbraw/zinc/64/28/75/553642875.db2.gz VGCOMTXNVNQIGG-UHFFFAOYSA-N 0 0 517.655 5.281 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2F)cc1OC ZINC000020367652 553643528 /nfs/dbraw/zinc/64/35/28/553643528.db2.gz IDNHKNAFDYRKSA-DFXYEROKSA-N 0 0 526.608 6.152 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000019946477 553646167 /nfs/dbraw/zinc/64/61/67/553646167.db2.gz XTUKUVYXRAQCBF-UHFFFAOYSA-N 0 0 534.096 7.291 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C56CC7CC(CC(C7)C5)C6)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072324075 553648010 /nfs/dbraw/zinc/64/80/10/553648010.db2.gz YNHQSVAFFONAPB-BZHYVQLMSA-N 0 0 548.896 10.444 50 30 biogenic KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000020034852 553667406 /nfs/dbraw/zinc/66/74/06/553667406.db2.gz KAGKVRALZWPHAN-UHFFFAOYSA-N 0 0 517.641 6.777 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C)c1 ZINC000020034835 553667430 /nfs/dbraw/zinc/66/74/30/553667430.db2.gz QRGSWXSMMXAFNI-UHFFFAOYSA-N 0 0 500.635 6.983 50 30 KKEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079193292 553668626 /nfs/dbraw/zinc/66/86/26/553668626.db2.gz RCGXLXCDPDRLSJ-YLDFUVEGSA-N 0 0 562.659 6.582 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000079210052 553670272 /nfs/dbraw/zinc/67/02/72/553670272.db2.gz VGPDRXMMBPXTSF-YUXVDHEWSA-N 0 0 740.806 6.978 50 30 biogenic KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079216776 553671265 /nfs/dbraw/zinc/67/12/65/553671265.db2.gz HHFOUNVSLCIOMO-QBRKKEGOSA-N 0 0 661.880 6.175 50 30 biogenic KKEARN CCCc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)CC)C4)c3ccccc3n2)cc1 ZINC000020568586 553673970 /nfs/dbraw/zinc/67/39/70/553673970.db2.gz IHDJWGRGQZHRRE-QHCPKHFHSA-N 0 0 521.730 8.581 50 30 KKEARN COc1ccc(OCc2ccc([C@@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000020601893 553677249 /nfs/dbraw/zinc/67/72/49/553677249.db2.gz MLTKUGOUOJXJOY-GDLZYMKVSA-N 0 0 527.621 5.813 50 30 KKEARN CCOc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3nc(N)c2C#N)cc1 ZINC000020079992 553677559 /nfs/dbraw/zinc/67/75/59/553677559.db2.gz JFFGZHGRMKRNHZ-UHFFFAOYSA-N 0 0 508.401 5.413 50 30 KKEARN N#Cc1cccc(N2C[C@H](C(=O)N3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)CC2=O)c1 ZINC000085392776 553679176 /nfs/dbraw/zinc/67/91/76/553679176.db2.gz BFKFWOFUWSLFRO-HSZRJFAPSA-N 0 0 527.628 5.482 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000020662995 553685512 /nfs/dbraw/zinc/68/55/12/553685512.db2.gz RIWATRRJNVBRFP-ZINOCKGTSA-N 0 0 519.980 6.507 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(C)cc1C)C[C@](C)(c1cccnc1)O2 ZINC000020685953 553689008 /nfs/dbraw/zinc/68/90/08/553689008.db2.gz SHIAGQKZNOQQSN-LLJYRHCUSA-N 0 0 518.639 5.029 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]21F ZINC000087515315 553693276 /nfs/dbraw/zinc/69/32/76/553693276.db2.gz QKENRHXGDUPTEM-AJSXGEPRSA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN COc1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C ZINC000020115594 553697128 /nfs/dbraw/zinc/69/71/28/553697128.db2.gz UVNBTZZHSNTBOT-KOJZRSEWSA-N 0 0 506.683 7.770 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000020115556 553697143 /nfs/dbraw/zinc/69/71/43/553697143.db2.gz JYRRAWFORUGHIU-YHARCJFQSA-N 0 0 524.654 6.621 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\CC(c2ccccc2)C/C(=C\c2cc(OC)c(OC)cc2OC)C1=O ZINC000020115562 553697145 /nfs/dbraw/zinc/69/71/45/553697145.db2.gz FIWJVXZPIFKYGH-KOJZRSEWSA-N 0 0 530.617 6.352 50 30 KKEARN CCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000020115447 553697148 /nfs/dbraw/zinc/69/71/48/553697148.db2.gz UZBYBTJIEXLANP-CRYYDKFDSA-N 0 0 506.683 8.062 50 30 KKEARN CCN1C/C(=C\c2ccc(Br)c(OC)c2)C(=O)/C(=C/c2ccc(Br)c(OC)c2)C1 ZINC000020115566 553697165 /nfs/dbraw/zinc/69/71/65/553697165.db2.gz ILRUXVMKEFUQIX-BEQMOXJMSA-N 0 0 521.249 5.600 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000020806645 553698897 /nfs/dbraw/zinc/69/88/97/553698897.db2.gz QOOJZFVJNSLJDO-QFIPXVFZSA-N 0 0 523.014 6.101 50 30 KKEARN CC(=O)c1ccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000095100408 553698962 /nfs/dbraw/zinc/69/89/62/553698962.db2.gz NZLMYOMYZSAHII-UHFFFAOYSA-N 0 0 650.264 7.667 50 30 KKEARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100623 553699216 /nfs/dbraw/zinc/69/92/16/553699216.db2.gz KPNKBXKDAGFSPT-WCBMZHEXSA-N 0 0 616.180 6.406 50 30 KKEARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100624 553699230 /nfs/dbraw/zinc/69/92/30/553699230.db2.gz KPNKBXKDAGFSPT-PSASIEDQSA-N 0 0 616.180 6.406 50 30 KKEARN O=C(Nc1cccc2ccccc21)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100641 553699238 /nfs/dbraw/zinc/69/92/38/553699238.db2.gz VATLADSQTZJOII-JSGCOSHPSA-N 0 0 621.243 7.651 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@@H](c2cccc(Cl)c2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000020850275 553699696 /nfs/dbraw/zinc/69/96/96/553699696.db2.gz YCCXNMMEMBGICT-QHCPKHFHSA-N 0 0 509.031 5.573 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000020850518 553699925 /nfs/dbraw/zinc/69/99/25/553699925.db2.gz AHFZYTXEAZOMRG-OAQYLSRUSA-N 0 0 513.436 6.130 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850608 553699931 /nfs/dbraw/zinc/69/99/31/553699931.db2.gz VARRSJMUGKNDNP-HSZRJFAPSA-N 0 0 513.494 7.152 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C(=O)OCCCCCCC)cc4)C5=O)cc3C2=O)cc1 ZINC000095607855 553705607 /nfs/dbraw/zinc/70/56/07/553705607.db2.gz CTFVNJCASHPIBE-UHFFFAOYSA-N 0 0 756.852 8.773 50 30 KKEARN OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676639 553707221 /nfs/dbraw/zinc/70/72/21/553707221.db2.gz WDIFKQOHZPTQIR-UHFFFAOYSA-N 0 0 548.092 5.418 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681651 553707431 /nfs/dbraw/zinc/70/74/31/553707431.db2.gz XJRHWVMSUNRDCA-UHFFFAOYSA-N 0 0 688.087 9.099 50 30 KKEARN C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681731 553707630 /nfs/dbraw/zinc/70/76/30/553707630.db2.gz WNVNMSONKCMAPU-ZCFIWIBFSA-N 0 0 612.223 6.501 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1 ZINC000095681727 553707638 /nfs/dbraw/zinc/70/76/38/553707638.db2.gz ZFJPGQQBBNLQOX-GSVOUGTGSA-N 0 0 526.133 6.420 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO ZINC000095681843 553707806 /nfs/dbraw/zinc/70/78/06/553707806.db2.gz MBKZIVRAOJBYDI-UHFFFAOYSA-N 0 0 562.138 5.324 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(C(F)(F)C(F)(F)F)C1(F)F ZINC000095681829 553707830 /nfs/dbraw/zinc/70/78/30/553707830.db2.gz KJWVJLNGXBWWIH-SSZNFFAWSA-N 0 0 566.076 6.920 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(F)F ZINC000095681847 553707843 /nfs/dbraw/zinc/70/78/43/553707843.db2.gz ANARGVKRHRBDMP-YUMQZZPRSA-N 0 0 632.082 7.487 50 30 KKEARN CCCCCCCc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)cc1 ZINC000095691760 553708261 /nfs/dbraw/zinc/70/82/61/553708261.db2.gz DDADAEBCNGWBFF-QOMWVZHYSA-N 0 0 505.655 6.132 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095698368 553708405 /nfs/dbraw/zinc/70/84/05/553708405.db2.gz SFEKJPRYZMFTFH-OWOJBTEDSA-N 0 0 664.118 9.020 50 30 KKEARN N#Cc1c(Sc2ccccc2NC(=O)c2ccc(Cl)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000095703730 553708696 /nfs/dbraw/zinc/70/86/96/553708696.db2.gz SYOOHBJGWKXPSO-UHFFFAOYSA-N 0 0 515.969 7.757 50 30 KKEARN CSc1nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1 ZINC000095703724 553708734 /nfs/dbraw/zinc/70/87/34/553708734.db2.gz JKYWPZWZTJZXEG-UHFFFAOYSA-N 0 0 748.604 9.146 50 30 KKEARN N#Cc1c(Sc2ccccc2NC(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2cccs2)cc1C(F)(F)F ZINC000095703728 553708758 /nfs/dbraw/zinc/70/87/58/553708758.db2.gz LKTSMCBGJOVZRR-UHFFFAOYSA-N 0 0 564.536 8.515 50 30 KKEARN COc1cc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1Cl ZINC000095704607 553709146 /nfs/dbraw/zinc/70/91/46/553709146.db2.gz NOVQTWURJLTYFW-ULPWCQAASA-N 0 0 554.810 6.660 50 30 KKEARN COc1cc(C(=O)Oc2c(Cl)cc(Cl)cc2/C=N\c2ccc([N+](=O)[O-])cc2C#N)cc(OC)c1OC ZINC000095704605 553709160 /nfs/dbraw/zinc/70/91/60/553709160.db2.gz SXTWUHCGLPETJO-NVJOKUIPSA-N 0 0 530.320 5.769 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc(Sc3ccccc3)nc2Sc2ccccc2)c1O ZINC000095704632 553709171 /nfs/dbraw/zinc/70/91/71/553709171.db2.gz OTYLONZRHSYDDJ-JVWAILMASA-N 0 0 523.477 7.611 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC ZINC000095707728 553709404 /nfs/dbraw/zinc/70/94/04/553709404.db2.gz GHVIUCXUOSDTBP-UHFFFAOYSA-N 0 0 618.158 5.685 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000095725698 553710635 /nfs/dbraw/zinc/71/06/35/553710635.db2.gz BRDKMYDVRQVFJR-FQEVSTJZSA-N 0 0 590.439 5.370 50 30 KKEARN Cn1nc(C(F)(F)F)c2cc(C(=O)ONC(=N)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc21 ZINC000095742546 553711807 /nfs/dbraw/zinc/71/18/07/553711807.db2.gz RFSHGDLTZWRTSM-UHFFFAOYSA-N 0 0 504.334 5.169 50 30 KKEARN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742564 553712168 /nfs/dbraw/zinc/71/21/68/553712168.db2.gz AMXOIHIBXLEWTA-UHFFFAOYSA-N 0 0 659.470 7.342 50 30 KKEARN C=CCc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(OCC)c1O ZINC000096006182 553716328 /nfs/dbraw/zinc/71/63/28/553716328.db2.gz QAFLFXSBKCUKOD-LKCMCXFZSA-N 0 0 500.620 6.332 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000096022103 553719706 /nfs/dbraw/zinc/71/97/06/553719706.db2.gz WZPRDWMTJSFJHO-DEOSSOPVSA-N 0 0 560.672 6.192 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@]2(C)C[C@@H](NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC(C)(C)C2)c1 ZINC000096022275 553720467 /nfs/dbraw/zinc/72/04/67/553720467.db2.gz CELCMRJOAJIWCQ-RYWJPUDZSA-N 0 0 572.838 8.107 50 30 KKEARN N#CCCN(CCN(CCC#N)C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000096022280 553720694 /nfs/dbraw/zinc/72/06/94/553720694.db2.gz YHMTXQSZPRHBQL-UHFFFAOYSA-N 0 0 540.468 5.920 50 30 KKEARN CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Br)Br ZINC000022001435 553722893 /nfs/dbraw/zinc/72/28/93/553722893.db2.gz OWZREIFADZCYQD-GGPKGHCWSA-N 0 0 505.206 6.490 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccc(C)cc1 ZINC000096292093 553745696 /nfs/dbraw/zinc/74/56/96/553745696.db2.gz YBZGIPPSUKMKRA-UHFFFAOYSA-N 0 0 527.669 5.833 50 30 KKEARN Cc1ccc(Cn2cc([C@@H](CC(=O)NCc3ccco3)c3cccc(C#N)c3Cl)c3ccccc32)cc1 ZINC000096292499 553746507 /nfs/dbraw/zinc/74/65/07/553746507.db2.gz BARJAUSBBSYLPR-MHZLTWQESA-N 0 0 508.021 6.955 50 30 KKEARN CCOc1cc(/C=C2\CC/C(=C/c3ccc(OC4CCCC4)c(OCC)c3)C2=O)ccc1OC1CCCC1 ZINC000096592701 553756713 /nfs/dbraw/zinc/75/67/13/553756713.db2.gz FTJKDHUDUBJXGO-GAHATOAQSA-N 0 0 516.678 7.957 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097939531 553759667 /nfs/dbraw/zinc/75/96/67/553759667.db2.gz MQXFPEDVANDGRO-SANMLTNESA-N 0 0 543.645 6.279 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000097939609 553759740 /nfs/dbraw/zinc/75/97/40/553759740.db2.gz GDDMQGLIPXPJNG-LGGPFLRQSA-N 0 0 565.688 5.481 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000097939717 553760754 /nfs/dbraw/zinc/76/07/54/553760754.db2.gz FVDCKXRHQAUPHG-NGOKVRLYSA-N 0 0 529.614 5.461 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000097939768 553761103 /nfs/dbraw/zinc/76/11/03/553761103.db2.gz TXBYDRWLUHDEGH-KMRXNPHXSA-N 0 0 544.629 5.949 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000097939820 553761565 /nfs/dbraw/zinc/76/15/65/553761565.db2.gz JQRILQWMDGNMJI-GTYOFVGBSA-N 0 0 554.712 6.734 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(Br)c2)cc1OC ZINC000097939834 553761598 /nfs/dbraw/zinc/76/15/98/553761598.db2.gz GDJAXOKOIOJBTP-YKGWIAGDSA-N 0 0 587.514 6.775 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939881 553762161 /nfs/dbraw/zinc/76/21/61/553762161.db2.gz TWSNABHYICVZOA-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939916 553762541 /nfs/dbraw/zinc/76/25/41/553762541.db2.gz ZGRCPTCXKMLPSU-CAQRMWTPSA-N 0 0 582.697 6.420 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000097939900 553762549 /nfs/dbraw/zinc/76/25/49/553762549.db2.gz ZNQSZMZUHINGEX-DFXYEROKSA-N 0 0 588.060 6.574 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939935 553762754 /nfs/dbraw/zinc/76/27/54/553762754.db2.gz AZHZUCPLBXNAJN-UGDMGKLASA-N 0 0 554.643 5.721 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939963 553762763 /nfs/dbraw/zinc/76/27/63/553762763.db2.gz NMQBWZSIUYQTET-GPNASLBKSA-N 0 0 552.671 6.411 50 30 KKEARN C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCN(c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3)CC2)n1 ZINC000097940226 553763719 /nfs/dbraw/zinc/76/37/19/553763719.db2.gz KLZOCTKUOLLPND-UHFFFAOYSA-N 0 0 797.402 5.597 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3cccc(OC)c3OC)n2)cc1 ZINC000097940205 553763813 /nfs/dbraw/zinc/76/38/13/553763813.db2.gz BCPNBUYRTMXJRV-UHFFFAOYSA-N 0 0 531.659 5.783 50 30 KKEARN O=C(c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCC(CCc2ccc(F)cc2)CC1 ZINC000097940599 553766388 /nfs/dbraw/zinc/76/63/88/553766388.db2.gz CMGABUXIUAXXBB-UHFFFAOYSA-N 0 0 589.555 8.201 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000097944429 553769574 /nfs/dbraw/zinc/76/95/74/553769574.db2.gz YMUQKGRTDLOOSX-QXPPVAOQSA-N 0 0 726.636 9.235 50 30 KKEARN N#Cc1c(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)sc2c1CCCCC2 ZINC000097945211 553770670 /nfs/dbraw/zinc/77/06/70/553770670.db2.gz HILDZGQHDJVPTR-UHFFFAOYSA-N 0 0 500.333 6.375 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000097945473 553772419 /nfs/dbraw/zinc/77/24/19/553772419.db2.gz DXXCNCQXSWPXML-SLQAJWMNSA-N 0 0 529.036 7.755 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097945651 553773667 /nfs/dbraw/zinc/77/36/67/553773667.db2.gz PGQPWJLEXVHILY-WRGVRERRSA-N 0 0 533.499 8.211 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000097945905 553775373 /nfs/dbraw/zinc/77/53/73/553775373.db2.gz OHORUJATEPASPZ-XDCSYDRFSA-N 0 0 538.688 7.493 50 30 KKEARN CCN(CC)c1ccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3ccc(N(CC)CC)cc3)c(OS(=O)(=O)c3ccc(C)cc3)cc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097945994 553775912 /nfs/dbraw/zinc/77/59/12/553775912.db2.gz YLIABGATIFXVHB-CZYCKNNWSA-N 0 0 821.030 9.323 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccs3)C2)cc1 ZINC000097946026 553776142 /nfs/dbraw/zinc/77/61/42/553776142.db2.gz FAKLVZSYEGABCR-DFXYEROKSA-N 0 0 541.072 7.625 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000097946339 553778504 /nfs/dbraw/zinc/77/85/04/553778504.db2.gz VREHNQYBMVABAE-COEJQBHMSA-N 0 0 559.716 7.659 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946389 553779032 /nfs/dbraw/zinc/77/90/32/553779032.db2.gz JVFYCQMVHMBBCS-WGJPBTIMSA-N 0 0 697.611 5.597 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCC)C2=O)cc1C ZINC000097946457 553779516 /nfs/dbraw/zinc/77/95/16/553779516.db2.gz LKKRGBQBPLGWIL-OOAXWGSJSA-N 0 0 531.747 7.584 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1C ZINC000097946477 553779830 /nfs/dbraw/zinc/77/98/30/553779830.db2.gz MAEBWXUSNIANED-BRPDVVIDSA-N 0 0 619.772 6.616 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCc3ccccc3)C2=O)SC1=S ZINC000097946527 553779991 /nfs/dbraw/zinc/77/99/91/553779991.db2.gz UBQKNQMANCNJQG-IZHYLOQSSA-N 0 0 521.708 5.282 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)SC1=S ZINC000097946529 553780008 /nfs/dbraw/zinc/78/00/08/553780008.db2.gz SUBKGHYMOFJFTE-FLWNBWAVSA-N 0 0 591.843 7.781 50 30 KKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000097946824 553781817 /nfs/dbraw/zinc/78/18/17/553781817.db2.gz LHAZPCNCKKOATE-MZJWZYIUSA-N 0 0 541.858 6.933 50 30 KKEARN CC[C@H](C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1)c1ccccc1 ZINC000023450507 553781939 /nfs/dbraw/zinc/78/19/39/553781939.db2.gz FIJXCDLDFWFFOA-LQJZCPKCSA-N 0 0 536.720 5.754 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)C=Cc2ccccc2Cl)cc1 ZINC000097946930 553782360 /nfs/dbraw/zinc/78/23/60/553782360.db2.gz OXKVOLQXEBORBX-DTQAZKPQSA-N 0 0 534.008 5.652 50 30 KKEARN CCCCCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O ZINC000097947304 553785193 /nfs/dbraw/zinc/78/51/93/553785193.db2.gz GLTUPOQLBMIERE-PLRJNAJWSA-N 0 0 564.777 6.228 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCc1cccc(C#N)c1 ZINC000023459658 553785520 /nfs/dbraw/zinc/78/55/20/553785520.db2.gz YEYYPISCXFSZEH-HXUWFJFHSA-N 0 0 512.701 5.047 50 30 KKEARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@H](C)O1 ZINC000097947329 553785527 /nfs/dbraw/zinc/78/55/27/553785527.db2.gz QMKFEVHPMXWHBC-UNSYPOGHSA-N 0 0 525.483 5.361 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccc(Cl)cc1)c1cccs1 ZINC000097947440 553786332 /nfs/dbraw/zinc/78/63/32/553786332.db2.gz NTKUJNQBGHVMMV-STBIYBPSSA-N 0 0 531.062 8.016 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947655 553787785 /nfs/dbraw/zinc/78/77/85/553787785.db2.gz UVFMDASLWCGWNE-DWLKXISJSA-N 0 0 660.752 5.141 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(OC)cc1 ZINC000097947871 553789426 /nfs/dbraw/zinc/78/94/26/553789426.db2.gz NIRMFCGBQIAWRA-UHFFFAOYSA-N 0 0 544.644 6.713 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1[C@H](C)Oc1cccc(C)c1C ZINC000097948087 553790995 /nfs/dbraw/zinc/79/09/95/553790995.db2.gz LPXHBKNLMCFIHE-PMACEKPBSA-N 0 0 551.782 6.870 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000097948304 553792803 /nfs/dbraw/zinc/79/28/03/553792803.db2.gz YUZJWIGLELZIED-LJAQVGFWSA-N 0 0 562.541 9.139 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000097948323 553793189 /nfs/dbraw/zinc/79/31/89/553793189.db2.gz GFOTYEIGTPUQFY-UKJJDJLKSA-N 0 0 563.495 7.972 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OC)nnc1-c1ccc(N(CC)CC)cc1 ZINC000097948504 553794416 /nfs/dbraw/zinc/79/44/16/553794416.db2.gz RIONNHJIYMJGCX-UHFFFAOYSA-N 0 0 575.760 6.532 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(Cc2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948570 553794963 /nfs/dbraw/zinc/79/49/63/553794963.db2.gz FLWSYWGXQYTHEH-FEERPNRMSA-N 0 0 581.587 9.865 50 30 KKEARN C[C@@H](NC(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)c1cccc2ccccc21 ZINC000025146037 553795021 /nfs/dbraw/zinc/79/50/21/553795021.db2.gz NIQVKDBQAJWKRG-MRXNPFEDSA-N 0 0 513.395 5.862 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3cccc4ccccc43)cc2)c1 ZINC000025146121 553795058 /nfs/dbraw/zinc/79/50/58/553795058.db2.gz KLQHZJLTDXHEGD-JSFNERCOSA-N 0 0 504.655 7.218 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2c1cccc(Br)c1 ZINC000097948603 553795200 /nfs/dbraw/zinc/79/52/00/553795200.db2.gz GHWFBNAQTOPXCN-SANMLTNESA-N 0 0 585.329 8.604 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]2c1cccc(Br)c1 ZINC000097948604 553795209 /nfs/dbraw/zinc/79/52/09/553795209.db2.gz GHWFBNAQTOPXCN-AREMUKBSSA-N 0 0 585.329 8.604 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000097948759 553796345 /nfs/dbraw/zinc/79/63/45/553796345.db2.gz RHKMZFQMEZWVBQ-KTBRYMIGSA-N 0 0 602.493 8.747 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1 ZINC000025150406 553796482 /nfs/dbraw/zinc/79/64/82/553796482.db2.gz SWHOGWQTDWVVRL-HCGNOCCLSA-N 0 0 511.672 6.675 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000097948763 553796535 /nfs/dbraw/zinc/79/65/35/553796535.db2.gz ZOVDFKQUBIDLDH-KTBRYMIGSA-N 0 0 602.493 8.747 50 30 KKEARN CCCCN(Cc1ccccc1)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1 ZINC000025152173 553796985 /nfs/dbraw/zinc/79/69/85/553796985.db2.gz NSBMUYGFLOGZID-UHFFFAOYSA-N 0 0 503.690 7.589 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097948912 553797580 /nfs/dbraw/zinc/79/75/80/553797580.db2.gz FWPWYRSXUVWAGO-MQFAKOPTSA-N 0 0 614.695 6.049 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000097949011 553798453 /nfs/dbraw/zinc/79/84/53/553798453.db2.gz VVLJUSPPVBCKIM-DFXYEROKSA-N 0 0 628.958 6.992 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097949110 553799368 /nfs/dbraw/zinc/79/93/68/553799368.db2.gz ZGKYLVPVPXWPCE-NHRFMIRVSA-N 0 0 646.794 9.748 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097949144 553799702 /nfs/dbraw/zinc/79/97/02/553799702.db2.gz JLVNIBDQKBOMHV-NMRUTFGKSA-N 0 0 650.728 6.953 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097949134 553799790 /nfs/dbraw/zinc/79/97/90/553799790.db2.gz OOUURFFQUIEZGB-WZLIKJJVSA-N 0 0 649.231 9.573 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097949243 553800601 /nfs/dbraw/zinc/80/06/01/553800601.db2.gz LOIMSBNQCOCWBD-OJVJLOJWSA-N 0 0 685.220 9.541 50 30 KKEARN CCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000097949315 553801442 /nfs/dbraw/zinc/80/14/42/553801442.db2.gz CKGOEWQCMQTAKP-OAHLLOKOSA-N 0 0 822.224 11.029 50 30 KKEARN CCCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949749 553802791 /nfs/dbraw/zinc/80/27/91/553802791.db2.gz CPJNFQWAFRMDGM-HSZRJFAPSA-N 0 0 521.489 7.624 50 30 KKEARN CCCCCCCc1cccc(C(=O)Oc2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)c1 ZINC000097949787 553803103 /nfs/dbraw/zinc/80/31/03/553803103.db2.gz LODHNLWYOMVFBJ-UHFFFAOYSA-N 0 0 517.625 8.177 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(Oc3ccccc3)c2)c1-c1ccc(C#N)cc1 ZINC000025164095 553803685 /nfs/dbraw/zinc/80/36/85/553803685.db2.gz LFLBNFFLRHGMKW-UHFFFAOYSA-N 0 0 515.613 7.861 50 30 KKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025163974 553803732 /nfs/dbraw/zinc/80/37/32/553803732.db2.gz CAYOUJYZKUGPGC-UHFFFAOYSA-N 0 0 513.464 7.401 50 30 KKEARN C=CCn1c(SCc2ccccc2Br)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025164207 553803971 /nfs/dbraw/zinc/80/39/71/553803971.db2.gz FZJDPBXCAGGHMK-UHFFFAOYSA-N 0 0 513.464 7.401 50 30 KKEARN C=CCn1c(SCc2cc3c(cc2Cl)OCO3)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025165398 553804538 /nfs/dbraw/zinc/80/45/38/553804538.db2.gz YEVVBNLLXCBAHH-UHFFFAOYSA-N 0 0 513.022 7.021 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2=C(CC(C)(C)CC2=O)N1 ZINC000097950546 553804718 /nfs/dbraw/zinc/80/47/18/553804718.db2.gz WXHFJOARSDJHPP-NDEPHWFRSA-N 0 0 535.562 7.313 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)C2=C(CC(C)(C)CC2=O)N1 ZINC000097950547 553804788 /nfs/dbraw/zinc/80/47/88/553804788.db2.gz WXHFJOARSDJHPP-MUUNZHRXSA-N 0 0 535.562 7.313 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000097950767 553805520 /nfs/dbraw/zinc/80/55/20/553805520.db2.gz HUADMUIHVDLSTB-XMMPIXPASA-N 0 0 551.068 8.494 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000097950914 553805974 /nfs/dbraw/zinc/80/59/74/553805974.db2.gz SFMCAWMYBVZZBK-QFIPXVFZSA-N 0 0 557.459 8.530 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000097950922 553805976 /nfs/dbraw/zinc/80/59/76/553805976.db2.gz CKRCNGNZGXMWBN-QHCPKHFHSA-N 0 0 553.040 7.885 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000097950905 553805979 /nfs/dbraw/zinc/80/59/79/553805979.db2.gz WOJFBBAMSJUISJ-HSZRJFAPSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097950909 553805991 /nfs/dbraw/zinc/80/59/91/553805991.db2.gz CTDKSULELLTLEK-HSZRJFAPSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950926 553806257 /nfs/dbraw/zinc/80/62/57/553806257.db2.gz WNOLVXCIXADVNL-QFIPXVFZSA-N 0 0 591.904 9.184 50 30 KKEARN N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000025390150 553806960 /nfs/dbraw/zinc/80/69/60/553806960.db2.gz DFOJEXLNNBFONS-HMMYKYKNSA-N 0 0 518.529 5.687 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951233 553807837 /nfs/dbraw/zinc/80/78/37/553807837.db2.gz LPRDGIFQGDGJQC-IGYGKHONSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000097951297 553808118 /nfs/dbraw/zinc/80/81/18/553808118.db2.gz NULHACVIKMGIIJ-JTSJOTPCSA-N 0 0 500.639 7.295 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097951458 553808995 /nfs/dbraw/zinc/80/89/95/553808995.db2.gz ZYLJBWTYYLJGAN-HXUWFJFHSA-N 0 0 536.264 5.132 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000097951466 553809104 /nfs/dbraw/zinc/80/91/04/553809104.db2.gz AMSDJHIXVYHODZ-LJAQVGFWSA-N 0 0 544.648 5.121 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000097951494 553809356 /nfs/dbraw/zinc/80/93/56/553809356.db2.gz DOEPIZPLUQLUHU-YTTGMZPUSA-N 0 0 531.781 9.363 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097951522 553809628 /nfs/dbraw/zinc/80/96/28/553809628.db2.gz OAMAZEKPOQBYRK-MHZLTWQESA-N 0 0 546.620 5.229 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000097951533 553809676 /nfs/dbraw/zinc/80/96/76/553809676.db2.gz FZOJHFQBOMZLOC-PMERELPUSA-N 0 0 538.172 9.400 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000097951543 553809682 /nfs/dbraw/zinc/80/96/82/553809682.db2.gz JMUROROFMNTTMD-WJOKGBTCSA-N 0 0 517.754 9.055 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000097951662 553810522 /nfs/dbraw/zinc/81/05/22/553810522.db2.gz YIPWDQUEDFNTAE-SSEXGKCCSA-N 0 0 538.172 9.400 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097951666 553810589 /nfs/dbraw/zinc/81/05/89/553810589.db2.gz QXNGXERAVHRNTD-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097951724 553810796 /nfs/dbraw/zinc/81/07/96/553810796.db2.gz CJZDWFFOUQSMJL-HSZRJFAPSA-N 0 0 532.618 5.457 50 30 KKEARN CN(CCN(C)/N=C/C(Br)=C/c1ccccc1)/N=C/C(Br)=C\c1ccccc1 ZINC000025691669 553812552 /nfs/dbraw/zinc/81/25/52/553812552.db2.gz VMAPIJPUAVPTJE-XOZSCMNESA-N 0 0 504.270 5.694 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000025763521 553813319 /nfs/dbraw/zinc/81/33/19/553813319.db2.gz BFZWXOAMWFRFHR-WGOQTCKBSA-N 0 0 518.477 5.588 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952165 553813435 /nfs/dbraw/zinc/81/34/35/553813435.db2.gz NVBQADXMKIQLND-AREMUKBSSA-N 0 0 528.630 6.493 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000025783303 553813847 /nfs/dbraw/zinc/81/38/47/553813847.db2.gz GTVJUSNDNWSBBX-PPHZAIPVSA-N 0 0 503.524 6.101 50 30 KKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000025783569 553814080 /nfs/dbraw/zinc/81/40/80/553814080.db2.gz KIXFEUJQJSGEGS-AFMDSPMNSA-N 0 0 522.592 7.076 50 30 KKEARN Cc1ccsc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000025783567 553814084 /nfs/dbraw/zinc/81/40/84/553814084.db2.gz KIXFEUJQJSGEGS-BCHFMIIMSA-N 0 0 522.592 7.076 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952241 553814249 /nfs/dbraw/zinc/81/42/49/553814249.db2.gz JWQGZERCBZIDNK-DEOSSOPVSA-N 0 0 529.574 5.949 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952285 553814366 /nfs/dbraw/zinc/81/43/66/553814366.db2.gz BLKJVNYTSRDRDJ-AREMUKBSSA-N 0 0 544.629 6.058 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000097952288 553814777 /nfs/dbraw/zinc/81/47/77/553814777.db2.gz QQVRYQNZQUJMQW-HKBQPEDESA-N 0 0 532.640 6.871 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952319 553815144 /nfs/dbraw/zinc/81/51/44/553815144.db2.gz BKFBFXAYYYMHSR-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952382 553815310 /nfs/dbraw/zinc/81/53/10/553815310.db2.gz NRAXSTIUIFPUCZ-HHHXNRCGSA-N 0 0 542.657 6.802 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952383 553815340 /nfs/dbraw/zinc/81/53/40/553815340.db2.gz NRAXSTIUIFPUCZ-MHZLTWQESA-N 0 0 542.657 6.802 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952397 553815436 /nfs/dbraw/zinc/81/54/36/553815436.db2.gz AFXVXVMHQBCYEG-HSZRJFAPSA-N 0 0 533.447 6.713 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097952469 553816054 /nfs/dbraw/zinc/81/60/54/553816054.db2.gz VNGCCSIGDYKATI-VWLOTQADSA-N 0 0 536.422 5.561 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097952576 553816650 /nfs/dbraw/zinc/81/66/50/553816650.db2.gz BLIWOHDKVXWZBL-AREMUKBSSA-N 0 0 540.443 6.496 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000097952585 553817077 /nfs/dbraw/zinc/81/70/77/553817077.db2.gz ZKYZBEVBMMREFX-MHZLTWQESA-N 0 0 540.685 7.338 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097952947 553818089 /nfs/dbraw/zinc/81/80/89/553818089.db2.gz OJHHGRDAFRJRAX-PMERELPUSA-N 0 0 533.580 5.815 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097953033 553818809 /nfs/dbraw/zinc/81/88/09/553818809.db2.gz PDARZBKLHHJIIH-NDEPHWFRSA-N 0 0 547.604 5.653 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097953085 553819184 /nfs/dbraw/zinc/81/91/84/553819184.db2.gz IWSQASPYXLLBFE-NDEPHWFRSA-N 0 0 537.572 5.115 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097953145 553819686 /nfs/dbraw/zinc/81/96/86/553819686.db2.gz QAXHNZOVZZIWSA-GDLZYMKVSA-N 0 0 543.616 5.466 50 30 KKEARN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000097953164 553819807 /nfs/dbraw/zinc/81/98/07/553819807.db2.gz JZMUIENNZZUAPC-QHCPKHFHSA-N 0 0 506.050 5.731 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097954018 553820673 /nfs/dbraw/zinc/82/06/73/553820673.db2.gz WMDAWCCLWSZCIF-OLILMLBXSA-N 0 0 542.632 5.761 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1 ZINC000097954093 553821285 /nfs/dbraw/zinc/82/12/85/553821285.db2.gz LDRVQZXQBAHOPL-SANMLTNESA-N 0 0 513.619 5.501 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954232 553822267 /nfs/dbraw/zinc/82/22/67/553822267.db2.gz WNZJTZQETCLYAR-MUUNZHRXSA-N 0 0 531.785 9.047 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954238 553822583 /nfs/dbraw/zinc/82/25/83/553822583.db2.gz RQOLDMQABWCWLS-LJAQVGFWSA-N 0 0 515.786 9.347 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097954413 553822930 /nfs/dbraw/zinc/82/29/30/553822930.db2.gz RAPSEPAVQXGILY-JRPXNJEYSA-N 0 0 541.644 6.366 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2CC1CCCCC1 ZINC000097954567 553824115 /nfs/dbraw/zinc/82/41/15/553824115.db2.gz DBAYRHJFGHLSEN-DEOSSOPVSA-N 0 0 530.509 5.802 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097954672 553824649 /nfs/dbraw/zinc/82/46/49/553824649.db2.gz BNHCWUMBPCBROZ-OLILMLBXSA-N 0 0 545.632 6.205 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097954670 553824666 /nfs/dbraw/zinc/82/46/66/553824666.db2.gz BNHCWUMBPCBROZ-WRONEBCDSA-N 0 0 545.632 6.205 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097954668 553824747 /nfs/dbraw/zinc/82/47/47/553824747.db2.gz CRDGNEAFCALKMW-LJAQVGFWSA-N 0 0 515.786 9.347 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000097954703 553825006 /nfs/dbraw/zinc/82/50/06/553825006.db2.gz MJMOUHKXEOJDHQ-JGCGQSQUSA-N 0 0 546.796 8.812 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954734 553825059 /nfs/dbraw/zinc/82/50/59/553825059.db2.gz RFSYKWUMXWSXAX-SMSORMJASA-N 0 0 549.627 5.454 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1CC1CCCCC1 ZINC000097954840 553825607 /nfs/dbraw/zinc/82/56/07/553825607.db2.gz HXCQQPXSRABVQF-LJAQVGFWSA-N 0 0 542.598 6.084 50 30 KKEARN Cc1c2ccc(OCC(=NNc3ccc(Cl)cc3)c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000027474621 553826017 /nfs/dbraw/zinc/82/60/17/553826017.db2.gz CXFDTXPNMHYCJZ-RIHQVDFKSA-N 0 0 509.005 7.241 50 30 KKEARN Cc1cc(I)cc(/C=N/c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1O ZINC000027501159 553826416 /nfs/dbraw/zinc/82/64/16/553826416.db2.gz CYLLPVBKDTUJPM-JFLMPSFJSA-N 0 0 512.391 6.606 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3c4ccccc4cc4ccccc43)nc(N3CCCC3)n2)cc1 ZINC000027499721 553826427 /nfs/dbraw/zinc/82/64/27/553826427.db2.gz BOGINTUVKVNWDA-RDRPBHBLSA-N 0 0 504.554 5.876 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955023 553827465 /nfs/dbraw/zinc/82/74/65/553827465.db2.gz HXKXCGDYAOBFQG-DXPJPUQTSA-N 0 0 545.060 7.179 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955089 553828329 /nfs/dbraw/zinc/82/83/29/553828329.db2.gz DPIXBAYOUNYRCW-WGDIFIGCSA-N 0 0 526.614 6.028 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955124 553828678 /nfs/dbraw/zinc/82/86/78/553828678.db2.gz XGMGPSDZBMMGRY-DXPJPUQTSA-N 0 0 542.613 5.734 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955122 553828859 /nfs/dbraw/zinc/82/88/59/553828859.db2.gz XGMGPSDZBMMGRY-QMTYFTJSSA-N 0 0 542.613 5.734 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955149 553829049 /nfs/dbraw/zinc/82/90/49/553829049.db2.gz CQFYQYZEIRGOQV-SGANQWHYSA-N 0 0 530.577 5.940 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955136 553829150 /nfs/dbraw/zinc/82/91/50/553829150.db2.gz MVMDIRUTSOXQNM-LBEKAKSKSA-N 0 0 602.684 6.975 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000027522515 553829336 /nfs/dbraw/zinc/82/93/36/553829336.db2.gz ULPFPOSJWBALAQ-DQHMDIJASA-N 0 0 522.026 5.330 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955181 553829451 /nfs/dbraw/zinc/82/94/51/553829451.db2.gz RKSIPBQZWQNQKA-SGANQWHYSA-N 0 0 530.577 5.940 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097955217 553829847 /nfs/dbraw/zinc/82/98/47/553829847.db2.gz VHGSHLRJPVXKPD-QLXKLKPCSA-N 0 0 526.614 6.110 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955271 553830624 /nfs/dbraw/zinc/83/06/24/553830624.db2.gz XFSIUCDLKCCTKI-HPGBDJQBSA-N 0 0 586.641 6.505 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955272 553830735 /nfs/dbraw/zinc/83/07/35/553830735.db2.gz XFSIUCDLKCCTKI-JYRCXFKTSA-N 0 0 586.641 6.505 50 30 KKEARN O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(C#Cc4ccccc4)cc3)nc2-c2ccccc2)cc1 ZINC000027527818 553830959 /nfs/dbraw/zinc/83/09/59/553830959.db2.gz RIMMQZSYCQATFZ-UHFFFAOYSA-N 0 0 518.591 8.181 50 30 KKEARN COc1cc(/C=C2\CN(C(C)C)C/C(=C/c3ccc(OCCC(C)C)c(OC)c3)C2=O)ccc1OCCC(C)C ZINC000097955515 553830982 /nfs/dbraw/zinc/83/09/82/553830982.db2.gz MQDCBUVYQLAZAL-GQGQITAGSA-N 0 0 549.752 7.314 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O ZINC000027527901 553830993 /nfs/dbraw/zinc/83/09/93/553830993.db2.gz RCMFCZQCHXOYKR-QNGOZBTKSA-N 0 0 504.471 5.857 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955596 553831462 /nfs/dbraw/zinc/83/14/62/553831462.db2.gz YHQCXNUCMDSAAQ-IZHWHUGBSA-N 0 0 527.558 5.619 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955587 553831659 /nfs/dbraw/zinc/83/16/59/553831659.db2.gz OBWWPUGFELGZCX-AKJBCIBTSA-N 0 0 542.613 5.810 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097955627 553832091 /nfs/dbraw/zinc/83/20/91/553832091.db2.gz ZQNINOHOGRILDT-MQNRADLISA-N 0 0 528.586 5.420 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955654 553832480 /nfs/dbraw/zinc/83/24/80/553832480.db2.gz NHZNUWPSSODBAE-PUAOIOHZSA-N 0 0 541.585 5.928 50 30 KKEARN C=CCc1cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000027533936 553832605 /nfs/dbraw/zinc/83/26/05/553832605.db2.gz INWFSMQSZWWHFO-ZFLZBDSRSA-N 0 0 518.639 5.465 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955676 553832720 /nfs/dbraw/zinc/83/27/20/553832720.db2.gz JJLFDHGUIZXSBS-YHAMSUFESA-N 0 0 542.613 5.728 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000027546889 553832944 /nfs/dbraw/zinc/83/29/44/553832944.db2.gz MXOKFOWYXRMHOA-AFJIDDCJSA-N 0 0 512.581 5.843 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097955704 553833151 /nfs/dbraw/zinc/83/31/51/553833151.db2.gz WZSHRQCCPXZPGE-PMERELPUSA-N 0 0 614.720 7.127 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955710 553833157 /nfs/dbraw/zinc/83/31/57/553833157.db2.gz VZHSGBIUCMPMSO-QMTYFTJSSA-N 0 0 542.613 5.815 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547991 553833237 /nfs/dbraw/zinc/83/32/37/553833237.db2.gz HKEGNEQQDFIFLJ-RXFWQSSRSA-N 0 0 503.524 6.101 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CCCC)SC3=NC2=O)cc1OC ZINC000027549374 553833750 /nfs/dbraw/zinc/83/37/50/553833750.db2.gz WQYBKDWHJBASAZ-LWRUFBSLSA-N 0 0 518.639 5.691 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955770 553833789 /nfs/dbraw/zinc/83/37/89/553833789.db2.gz DBORTZYUYVMKJJ-AKJBCIBTSA-N 0 0 526.614 5.974 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955783 553833798 /nfs/dbraw/zinc/83/37/98/553833798.db2.gz ZJDIFWPCSAKQJT-XGCWNURASA-N 0 0 556.640 6.124 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955817 553834121 /nfs/dbraw/zinc/83/41/21/553834121.db2.gz ZWIGRVOWZKLLLY-LFPIHBKWSA-N 0 0 533.005 6.065 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097955826 553834228 /nfs/dbraw/zinc/83/42/28/553834228.db2.gz SFJJEROOMFYCJG-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000097955855 553834720 /nfs/dbraw/zinc/83/47/20/553834720.db2.gz CBIAAUPCZYTOJI-HHHXNRCGSA-N 0 0 539.657 6.640 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000027662405 553836166 /nfs/dbraw/zinc/83/61/66/553836166.db2.gz RMNANBDCSGSRRI-HSZRJFAPSA-N 0 0 522.395 5.559 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956210 553836594 /nfs/dbraw/zinc/83/65/94/553836594.db2.gz XRHXACZBACVSFO-DWXRJYCRSA-N 0 0 524.598 5.828 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000097956248 553837062 /nfs/dbraw/zinc/83/70/62/553837062.db2.gz NMAPYGWAJXLQLW-MHZLTWQESA-N 0 0 538.625 6.378 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097956558 553839419 /nfs/dbraw/zinc/83/94/19/553839419.db2.gz WKGRCDIDXCSLGW-MUUNZHRXSA-N 0 0 501.708 7.470 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)Nc4ccc5ccccc5c4)nnc3c2CO1 ZINC000097956642 553840458 /nfs/dbraw/zinc/84/04/58/553840458.db2.gz PHGCCCJQHZZVJF-UHFFFAOYSA-N 0 0 534.645 6.080 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccccc5)n23)CC(C)(C)OC4)cc1 ZINC000097956735 553841145 /nfs/dbraw/zinc/84/11/45/553841145.db2.gz UFJHNFGZLXCJMP-UHFFFAOYSA-N 0 0 528.638 5.325 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000097956789 553841716 /nfs/dbraw/zinc/84/17/16/553841716.db2.gz CKUMKEFVYPGAHL-RBTNQOKQSA-N 0 0 543.758 7.126 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956814 553842312 /nfs/dbraw/zinc/84/23/12/553842312.db2.gz VOQYZQFQOHQSSU-QFIPXVFZSA-N 0 0 536.606 5.127 50 30 KKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(C(=O)OCC)cc3)n2)cc1 ZINC000097956870 553842896 /nfs/dbraw/zinc/84/28/96/553842896.db2.gz FKUNLERJBHWVEB-UHFFFAOYSA-N 0 0 543.567 6.335 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000028627967 553843036 /nfs/dbraw/zinc/84/30/36/553843036.db2.gz FSHREYLAAUFCBT-CSGQPYJXSA-N 0 0 500.624 5.184 50 30 KKEARN CCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097956973 553843320 /nfs/dbraw/zinc/84/33/20/553843320.db2.gz GEVXDYNNTZMSLQ-KPURRNSFSA-N 0 0 534.578 7.328 50 30 KKEARN CCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097956972 553843384 /nfs/dbraw/zinc/84/33/84/553843384.db2.gz GEVXDYNNTZMSLQ-ZTOMLWHTSA-N 0 0 534.578 7.328 50 30 KKEARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c2)C1 ZINC000029493041 553846202 /nfs/dbraw/zinc/84/62/02/553846202.db2.gz DNDRICJKYOPRJW-GOTSBHOMSA-N 0 0 546.737 5.163 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097957805 553848369 /nfs/dbraw/zinc/84/83/69/553848369.db2.gz ATIGILQBQWNRAN-FPVUOMKESA-N 0 0 561.660 5.431 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 ZINC000097958266 553852667 /nfs/dbraw/zinc/85/26/67/553852667.db2.gz LFLRFSCFZZRYMS-UHFFFAOYSA-N 0 0 520.886 6.553 50 30 KKEARN O=C(Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000029749901 553852752 /nfs/dbraw/zinc/85/27/52/553852752.db2.gz BLOPUQKIYNAQQW-HFTWOUSFSA-N 0 0 535.648 5.223 50 30 KKEARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(I)c1OCc1ccccc1C#N ZINC000097958560 553855889 /nfs/dbraw/zinc/85/58/89/553855889.db2.gz BYFRXLITKNRWML-CIAFOILYSA-N 0 0 536.325 5.095 50 30 KKEARN Clc1cccc(Cl)c1COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000097958640 553856431 /nfs/dbraw/zinc/85/64/31/553856431.db2.gz DSXWGEVFYHESLK-KKMKTNMSSA-N 0 0 533.278 7.904 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000097958873 553858349 /nfs/dbraw/zinc/85/83/49/553858349.db2.gz YWOBDDVXWNSFSP-DEJZSQNOSA-N 0 0 520.898 9.039 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c(OC)c1 ZINC000097958862 553858424 /nfs/dbraw/zinc/85/84/24/553858424.db2.gz IJZWTKAHLMXJLG-FUBACRQPSA-N 0 0 568.655 5.580 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000097959255 553861991 /nfs/dbraw/zinc/86/19/91/553861991.db2.gz QMTOJZINMVFIGR-UZWMFBFFSA-N 0 0 580.133 5.645 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c(OCCOc4ccc(C5CCCCC5)cc4)c(OCC)c3)C2=N)S1 ZINC000097959236 553862128 /nfs/dbraw/zinc/86/21/28/553862128.db2.gz ZLAMNHOWVIFCII-MYAUWDCMSA-N 0 0 651.273 9.224 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3ccccc3OC)c(OCC)c2)SC1=S ZINC000097959420 553863643 /nfs/dbraw/zinc/86/36/43/553863643.db2.gz LHRKDDPAWRTNOM-QNGOZBTKSA-N 0 0 550.496 5.701 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959630 553864791 /nfs/dbraw/zinc/86/47/91/553864791.db2.gz OFODLODTODMSHI-HFBYFEGMSA-N 0 0 560.022 6.414 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959665 553865158 /nfs/dbraw/zinc/86/51/58/553865158.db2.gz VMDAGZMARWZUBX-SXKCLOSDSA-N 0 0 588.032 6.192 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000097959645 553865172 /nfs/dbraw/zinc/86/51/72/553865172.db2.gz KBHCFFRAVLCXOO-TUIIRILJSA-N 0 0 554.043 5.859 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959723 553865829 /nfs/dbraw/zinc/86/58/29/553865829.db2.gz ZQNAVXYMKZUIMF-VFPKNACXSA-N 0 0 579.650 5.223 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2/NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)o1 ZINC000097959785 553866084 /nfs/dbraw/zinc/86/60/84/553866084.db2.gz CDJLXHMGTRYBFE-OFGWUUMASA-N 0 0 537.617 5.920 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(C#N)cc1 ZINC000097959802 553866154 /nfs/dbraw/zinc/86/61/54/553866154.db2.gz HDOVJMAKLADXSD-SSEXGKCCSA-N 0 0 548.643 5.784 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1F ZINC000097959838 553866467 /nfs/dbraw/zinc/86/64/67/553866467.db2.gz PFMHFMMSFYPXOH-LJAQVGFWSA-N 0 0 545.586 5.862 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 ZINC000097959856 553866805 /nfs/dbraw/zinc/86/68/05/553866805.db2.gz IJBVAVWFAAZFOS-NHRFMIRVSA-N 0 0 613.636 7.581 50 30 KKEARN CCOC(=O)COc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000097959922 553867058 /nfs/dbraw/zinc/86/70/58/553867058.db2.gz MJNBXOVZFVOERX-UHFFFAOYSA-N 0 0 574.512 5.763 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097960022 553867626 /nfs/dbraw/zinc/86/76/26/553867626.db2.gz PBWAOCFLQXGNPZ-KJICVINHSA-N 0 0 660.924 10.561 50 30 KKEARN CC/N=C1\S/C(=C\c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C(=O)N1CC ZINC000097960167 553868604 /nfs/dbraw/zinc/86/86/04/553868604.db2.gz HZFYOOJFYDSFGV-UUNHGKJBSA-N 0 0 546.487 5.486 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1OCc1ccccc1C#N ZINC000097960423 553871660 /nfs/dbraw/zinc/87/16/60/553871660.db2.gz SRDIKQIJQCIWBN-MFKUBSTISA-N 0 0 562.489 6.752 50 30 KKEARN COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Br ZINC000097960427 553871675 /nfs/dbraw/zinc/87/16/75/553871675.db2.gz RRLQETLVDWSIDE-ZVERUENYSA-N 0 0 522.852 5.182 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N(c2ccccc2)C1=S ZINC000097960923 553874360 /nfs/dbraw/zinc/87/43/60/553874360.db2.gz ZAFOOOXEALWISE-KQWNVCNZSA-N 0 0 528.703 5.860 50 30 KKEARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000032911092 553876141 /nfs/dbraw/zinc/87/61/41/553876141.db2.gz NZFHMBZZYUPRET-IBGZPJMESA-N 0 0 503.027 5.526 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccc(OC)c(OC)c5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000097962036 553882548 /nfs/dbraw/zinc/88/25/48/553882548.db2.gz UOLJHMOQELBHIO-DTUGYKJQSA-N 0 0 573.609 6.140 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1OC ZINC000097962060 553882812 /nfs/dbraw/zinc/88/28/12/553882812.db2.gz RFXONDIWJWNYBG-UBZSIBMHSA-N 0 0 571.637 6.830 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097962068 553882835 /nfs/dbraw/zinc/88/28/35/553882835.db2.gz LLGPIIADBDJCOL-UUAJIBDESA-N 0 0 563.639 6.583 50 30 KKEARN c1ccc(N/N=C(/Sc2nnc(COc3ccc(C4CCCCC4)cc3)n2-c2ccccc2)c2ccccc2)cc1 ZINC000097962585 553884568 /nfs/dbraw/zinc/88/45/68/553884568.db2.gz MEDLAMOUACABIV-LAWMERGMSA-N 0 0 559.739 8.460 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000097962690 553885117 /nfs/dbraw/zinc/88/51/17/553885117.db2.gz SYBMAQIKYQQIQW-YNMQQHPQSA-N 0 0 758.419 6.101 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(Cc2ccccc2)C3)cc1 ZINC000097963455 553890645 /nfs/dbraw/zinc/89/06/45/553890645.db2.gz TYUSFSHEDZCMGH-UHFFFAOYSA-N 0 0 579.744 5.098 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@H](C(C)(C)C)C3)c(OC)c1OC ZINC000097964038 553895900 /nfs/dbraw/zinc/89/59/00/553895900.db2.gz PESQHPXEMIAHDX-ZEHKQSLBSA-N 0 0 585.564 7.690 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC ZINC000097964037 553895905 /nfs/dbraw/zinc/89/59/05/553895905.db2.gz PESQHPXEMIAHDX-UAMLYTHZSA-N 0 0 585.564 7.690 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCO4)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000097964039 553895965 /nfs/dbraw/zinc/89/59/65/553895965.db2.gz PTLVGGKSKXFCNF-WODFAGORSA-N 0 0 539.495 7.393 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)SC1=S ZINC000097964137 553896613 /nfs/dbraw/zinc/89/66/13/553896613.db2.gz NXEFGNIJLFOJDV-ODLFYWEKSA-N 0 0 550.443 5.362 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)N(C(C)=O)C2=O)c(Br)cc1OC(C)=O ZINC000097964263 553896916 /nfs/dbraw/zinc/89/69/16/553896916.db2.gz NIWITGLUIZYFGD-NPPDCVIRSA-N 0 0 557.344 5.552 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000097964907 553901517 /nfs/dbraw/zinc/90/15/17/553901517.db2.gz LUKKZWQZEXCYAK-ODTJMHGJSA-N 0 0 574.684 5.619 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2ccccc2Br)n1 ZINC000097965339 553904097 /nfs/dbraw/zinc/90/40/97/553904097.db2.gz UDQDCWSOHJKMCJ-HWBMXIPRSA-N 0 0 603.521 5.049 50 30 KKEARN F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3[nH]cnc32)cc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000097965328 553904112 /nfs/dbraw/zinc/90/41/12/553904112.db2.gz LZDKHMCNTBMNCF-BCGQVAGBSA-N 0 0 570.294 5.543 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1)c1ccc(Br)cc1 ZINC000097965387 553904161 /nfs/dbraw/zinc/90/41/61/553904161.db2.gz VKHDLSWSMDLASP-LGJNPRDNSA-N 0 0 557.267 7.000 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1c3ccccc3C2(CN=Nc2nc3ccccc3[nH]2)c2ccccc21 ZINC000097965447 553904808 /nfs/dbraw/zinc/90/48/08/553904808.db2.gz LSCAIUGOFICGHC-VBQLZTBCSA-N 0 0 527.559 5.351 50 30 KKEARN CC[C@@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3OCc3ccccc3Cl)c2C(=O)NC2CC2)C1 ZINC000097965627 553905599 /nfs/dbraw/zinc/90/55/99/553905599.db2.gz NBOGFBNHZXKIEI-UBGHKXEESA-N 0 0 571.968 7.901 50 30 KKEARN Cc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)C[C@@H](C)CC2 ZINC000097965624 553905612 /nfs/dbraw/zinc/90/56/12/553905612.db2.gz TYVOSJGOBOIISB-TVXOXPGUSA-N 0 0 608.001 9.179 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccccc2OC)cc1 ZINC000097965897 553906062 /nfs/dbraw/zinc/90/60/62/553906062.db2.gz DQVGDZVOGGACFA-CTXJTIKKSA-N 0 0 573.613 5.472 50 30 KKEARN CCCCCCCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCCCCCC)C2=O)SC1=S ZINC000097966526 553909260 /nfs/dbraw/zinc/90/92/60/553909260.db2.gz YYBHOKFKDRDWKW-QURGRASLSA-N 0 0 602.866 5.726 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097966832 553910783 /nfs/dbraw/zinc/91/07/83/553910783.db2.gz NLSQDGMVKGVXHY-WJOKGBTCSA-N 0 0 568.714 5.782 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000097966926 553911915 /nfs/dbraw/zinc/91/19/15/553911915.db2.gz VEOWAUVBMDIDNQ-AREMUKBSSA-N 0 0 571.512 5.093 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000097966925 553911987 /nfs/dbraw/zinc/91/19/87/553911987.db2.gz VEOWAUVBMDIDNQ-SANMLTNESA-N 0 0 571.512 5.093 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097967014 553913023 /nfs/dbraw/zinc/91/30/23/553913023.db2.gz PGTJNLXOATZFDX-IIMAJNMQSA-N 0 0 556.659 6.007 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F ZINC000097967044 553913071 /nfs/dbraw/zinc/91/30/71/553913071.db2.gz JPBZRLYZTJNJFE-PMERELPUSA-N 0 0 566.714 8.794 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000097967039 553913134 /nfs/dbraw/zinc/91/31/34/553913134.db2.gz DNBRIAFRHJHESA-AREMUKBSSA-N 0 0 571.512 5.093 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097967069 553913514 /nfs/dbraw/zinc/91/35/14/553913514.db2.gz LLKGDUXEAYJESP-NDEPHWFRSA-N 0 0 596.705 6.861 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097967110 553913797 /nfs/dbraw/zinc/91/37/97/553913797.db2.gz UQIKYQZQQPMYTB-PMERELPUSA-N 0 0 617.068 10.162 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967221 553915373 /nfs/dbraw/zinc/91/53/73/553915373.db2.gz NULXDRBPBRHLMK-FLASPHMUSA-N 0 0 575.661 6.419 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967259 553915749 /nfs/dbraw/zinc/91/57/49/553915749.db2.gz DLBLCRDWBDTUGJ-PUAOIOHZSA-N 0 0 575.484 6.782 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967294 553916209 /nfs/dbraw/zinc/91/62/09/553916209.db2.gz ARSPPJOWCMRPOE-CLYVBNDRSA-N 0 0 596.661 5.923 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967322 553916666 /nfs/dbraw/zinc/91/66/66/553916666.db2.gz OKHBFMJEIYKJCC-AREMUKBSSA-N 0 0 558.612 5.648 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967305 553916753 /nfs/dbraw/zinc/91/67/53/553916753.db2.gz YTDJRYOERMVAFZ-SGANQWHYSA-N 0 0 556.596 5.198 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097967368 553917749 /nfs/dbraw/zinc/91/77/49/553917749.db2.gz QFHNBBZYPQCLJL-VWLOTQADSA-N 0 0 576.627 5.431 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967423 553918050 /nfs/dbraw/zinc/91/80/50/553918050.db2.gz GZHAIEBSDDTKGC-YTTGMZPUSA-N 0 0 577.633 6.214 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967458 553918838 /nfs/dbraw/zinc/91/88/38/553918838.db2.gz JRKIGLPJKGMXEQ-KCEHZKJRSA-N 0 0 602.712 7.598 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967469 553918923 /nfs/dbraw/zinc/91/89/23/553918923.db2.gz NMQJZRQLTASKJQ-JPQMRUPTSA-N 0 0 593.680 5.853 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967493 553919300 /nfs/dbraw/zinc/91/93/00/553919300.db2.gz OZCLRDYLTMVFHI-KWMCUTETSA-N 0 0 589.113 7.625 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967536 553919835 /nfs/dbraw/zinc/91/98/35/553919835.db2.gz CTGKVTOMPLIJOC-CRYYWNKWSA-N 0 0 590.698 6.338 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967559 553920203 /nfs/dbraw/zinc/92/02/03/553920203.db2.gz JAPJTOWDOVEXMI-MUUNZHRXSA-N 0 0 570.667 6.646 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967674 553921407 /nfs/dbraw/zinc/92/14/07/553921407.db2.gz DYPMEWPQOCKMHI-PKHCJMHPSA-N 0 0 604.684 7.594 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967693 553921951 /nfs/dbraw/zinc/92/19/51/553921951.db2.gz VYSLINBLAANUHM-RQZFFVEVSA-N 0 0 622.674 7.129 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967720 553922216 /nfs/dbraw/zinc/92/22/16/553922216.db2.gz AKPYIBNLIPDZIL-PRAQEBQASA-N 0 0 598.721 7.289 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967750 553922618 /nfs/dbraw/zinc/92/26/18/553922618.db2.gz HNNMPCKKTLHDPD-KWMCUTETSA-N 0 0 568.651 6.366 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967748 553922770 /nfs/dbraw/zinc/92/27/70/553922770.db2.gz HNNMPCKKTLHDPD-XDBZFTIUSA-N 0 0 568.651 6.366 50 30 KKEARN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=O)cc1OC ZINC000097967738 553922795 /nfs/dbraw/zinc/92/27/95/553922795.db2.gz BOPUKOLWTGTOKO-KKERBNJUSA-N 0 0 552.439 5.014 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000033353055 553922912 /nfs/dbraw/zinc/92/29/12/553922912.db2.gz MIYKMXGJBGGFCI-SSEXGKCCSA-N 0 0 530.794 7.392 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097967775 553923107 /nfs/dbraw/zinc/92/31/07/553923107.db2.gz NZMCRCARPYGUJH-XIFFEERXSA-N 0 0 648.737 7.445 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097967774 553923206 /nfs/dbraw/zinc/92/32/06/553923206.db2.gz NZMCRCARPYGUJH-MGBGTMOVSA-N 0 0 648.737 7.445 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967867 553924540 /nfs/dbraw/zinc/92/45/40/553924540.db2.gz SNNNYJBWVRNLER-NDEPHWFRSA-N 0 0 584.650 6.122 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)nc(N3CCC(C)CC3)n2)c1C ZINC000033353375 553924796 /nfs/dbraw/zinc/92/47/96/553924796.db2.gz SZHXDBFTRLUDHA-XZYGTATASA-N 0 0 579.152 7.571 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967909 553924949 /nfs/dbraw/zinc/92/49/49/553924949.db2.gz WCSDKMVKTIVPAP-PVPMGCCUSA-N 0 0 558.612 5.516 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000033353435 553925023 /nfs/dbraw/zinc/92/50/23/553925023.db2.gz UROPEGASBUUIRH-ZTOMLWHTSA-N 0 0 588.498 6.311 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967981 553925722 /nfs/dbraw/zinc/92/57/22/553925722.db2.gz BPKNZSOEMHGBBX-XGCWNURASA-N 0 0 558.631 6.721 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967973 553925755 /nfs/dbraw/zinc/92/57/55/553925755.db2.gz HNZOOVNIBPEEAI-SOKVYYICSA-N 0 0 652.625 8.367 50 30 KKEARN O=[N+]([O-])c1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)c1 ZINC000033353668 553926529 /nfs/dbraw/zinc/92/65/29/553926529.db2.gz YVWJXKPEVJFBDQ-UHFFFAOYSA-N 0 0 549.228 5.267 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)cc1Cl ZINC000033353783 553927026 /nfs/dbraw/zinc/92/70/26/553927026.db2.gz PLPYIOUTUPSPMU-VYOWOUGHSA-N 0 0 528.483 7.180 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000033354163 553928643 /nfs/dbraw/zinc/92/86/43/553928643.db2.gz XRTSTOQFWMGRKF-UHFFFAOYSA-N 0 0 629.496 11.741 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@](F)(O[C@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033354443 553929680 /nfs/dbraw/zinc/92/96/80/553929680.db2.gz KXJDIALQJFVHGQ-WCBMZHEXSA-N 0 0 650.079 7.260 50 30 KKEARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000097968274 553930120 /nfs/dbraw/zinc/93/01/20/553930120.db2.gz NZSKJVMGSOCKBE-WLUKRMKQSA-N 0 0 572.412 6.355 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968317 553930401 /nfs/dbraw/zinc/93/04/01/553930401.db2.gz QTFSAORXMQILBN-YWXNFOLHSA-N 0 0 548.006 6.108 50 30 KKEARN C(=N/c1ccc(-c2ccc(-c3ccc(/N=C/c4cccc5ccccc45)cc3)cc2)cc1)\c1cccc2ccccc12 ZINC000033354612 553930453 /nfs/dbraw/zinc/93/04/53/553930453.db2.gz DJEXXLIHZGGFMZ-CTQPMARESA-N 0 0 536.678 10.828 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000033354705 553930864 /nfs/dbraw/zinc/93/08/64/553930864.db2.gz CJVQAHSAWKYOOD-UDNBHOFDSA-N 0 0 553.033 7.702 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000033354662 553930883 /nfs/dbraw/zinc/93/08/83/553930883.db2.gz GEGDYHYQKVHQKW-BYUPDSDESA-N 0 0 661.223 9.594 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000033354687 553930936 /nfs/dbraw/zinc/93/09/36/553930936.db2.gz KTDIKEKGDOVVHM-CYFIQEHSSA-N 0 0 619.161 8.639 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000033354864 553931932 /nfs/dbraw/zinc/93/19/32/553931932.db2.gz ZNBMRTXZCLHBGL-HQEQJGOVSA-N 0 0 555.343 9.692 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097968441 553932426 /nfs/dbraw/zinc/93/24/26/553932426.db2.gz GHRDZIWFHFQRRX-LJAQVGFWSA-N 0 0 575.662 5.291 50 30 KKEARN C[C@@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000033355064 553932876 /nfs/dbraw/zinc/93/28/76/553932876.db2.gz IZKIPUUIRXLGQR-UOSBZTQKSA-N 0 0 610.109 8.671 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccccc1)c(-c1ccccc1)c3-c1ccccc1)c1cccs1 ZINC000097968549 553933216 /nfs/dbraw/zinc/93/32/16/553933216.db2.gz ILILOTCULNJQIC-GUBAARJWSA-N 0 0 554.679 7.464 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)n(Cc2ccccc2)c(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000097968548 553933304 /nfs/dbraw/zinc/93/33/04/553933304.db2.gz YNAMQNXRJJFQSB-UACWCTJZSA-N 0 0 608.702 7.419 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1-c1ccccc1 ZINC000097968713 553933999 /nfs/dbraw/zinc/93/39/99/553933999.db2.gz WCYYZJPHXIYZBM-HVPMEQTESA-N 0 0 589.673 5.286 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccccc2Br)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000033355314 553934148 /nfs/dbraw/zinc/93/41/48/553934148.db2.gz PCKMYOZOMXWRRF-BSVVFNILSA-N 0 0 538.489 6.762 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1 ZINC000097968753 553934325 /nfs/dbraw/zinc/93/43/25/553934325.db2.gz ALARVLXXOVGPRP-BECGJLHTSA-N 0 0 526.832 5.650 50 30 KKEARN CCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=O)cc1 ZINC000097968754 553934360 /nfs/dbraw/zinc/93/43/60/553934360.db2.gz CLCHRACCXYBQEW-PFTKJDFUSA-N 0 0 536.440 5.396 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097968755 553934369 /nfs/dbraw/zinc/93/43/69/553934369.db2.gz TURIMIBKAPIQJY-MVLYKHDQSA-N 0 0 592.891 6.910 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000033355415 553934703 /nfs/dbraw/zinc/93/47/03/553934703.db2.gz NANUUADALWMBGX-UHFFFAOYSA-N 0 0 535.090 6.656 50 30 KKEARN O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000033355434 553934772 /nfs/dbraw/zinc/93/47/72/553934772.db2.gz WXFBPFWRBMGVPO-URVOCPGOSA-N 0 0 555.497 7.832 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)C(=O)N1c1ccccc1 ZINC000033355486 553935033 /nfs/dbraw/zinc/93/50/33/553935033.db2.gz QHAPIIDHLSZRHM-QHMIWGDOSA-N 0 0 609.582 9.331 50 30 KKEARN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)n(-c3ccccc3)c2=O)cc1OC ZINC000097968954 553935179 /nfs/dbraw/zinc/93/51/79/553935179.db2.gz MLYKXPHGAMITEV-ASMCNCINSA-N 0 0 552.439 5.014 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(Nc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033355553 553935530 /nfs/dbraw/zinc/93/55/30/553935530.db2.gz PPUNLDQHOQERQF-OSDDXWBTSA-N 0 0 570.927 6.032 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097969014 553935859 /nfs/dbraw/zinc/93/58/59/553935859.db2.gz PIQGRIXFJUYODH-ZWVRTZEQSA-N 0 0 589.688 6.809 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000033355658 553936089 /nfs/dbraw/zinc/93/60/89/553936089.db2.gz XFRSXAFAHXIXAV-ACSYHNTCSA-N 0 0 529.036 7.755 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000097969066 553936214 /nfs/dbraw/zinc/93/62/14/553936214.db2.gz MTDTZERRYKIWAN-PMERELPUSA-N 0 0 600.613 9.648 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000097969104 553936664 /nfs/dbraw/zinc/93/66/64/553936664.db2.gz NKGJHXOTQOSOLL-AREMUKBSSA-N 0 0 571.512 5.237 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969127 553937017 /nfs/dbraw/zinc/93/70/17/553937017.db2.gz BHNNELALQGQAAI-YHAMSUFESA-N 0 0 559.087 7.354 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969168 553937450 /nfs/dbraw/zinc/93/74/50/553937450.db2.gz LVGMFGYIHJAUCX-NSYGIPOTSA-N 0 0 574.655 5.689 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969187 553937801 /nfs/dbraw/zinc/93/78/01/553937801.db2.gz SOYJOHFNSKEMJZ-CRYYWNKWSA-N 0 0 556.640 6.200 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969209 553937902 /nfs/dbraw/zinc/93/79/02/553937902.db2.gz BJFITNPNICJEEC-BSEYFRJRSA-N 0 0 607.482 6.188 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000097969261 553938751 /nfs/dbraw/zinc/93/87/51/553938751.db2.gz QZMURKYLBAEDHH-AZWSXNEJSA-N 0 0 586.223 6.236 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969317 553939706 /nfs/dbraw/zinc/93/97/06/553939706.db2.gz YUAOKSKFRFCXMM-YRVHBCJASA-N 0 0 600.693 6.599 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097969402 553940353 /nfs/dbraw/zinc/94/03/53/553940353.db2.gz MEHLUCKNHPBSLM-UGDMGKLASA-N 0 0 555.671 6.409 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@H]3Sc4ccccc4N=C4c5ccccc5C(=O)C43)cc2)cc1 ZINC000033356356 553940948 /nfs/dbraw/zinc/94/09/48/553940948.db2.gz FEGYJKOGJSLQIM-SSEXGKCCSA-N 0 0 554.649 6.279 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969454 553941070 /nfs/dbraw/zinc/94/10/70/553941070.db2.gz LCAIELLCNRGPCV-JGCGQSQUSA-N 0 0 600.712 5.282 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000097969538 553942229 /nfs/dbraw/zinc/94/22/29/553942229.db2.gz QXGMBVKEQSYXEV-LJAQVGFWSA-N 0 0 605.529 5.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000097969586 553942564 /nfs/dbraw/zinc/94/25/64/553942564.db2.gz YHQOLSKPNPQCOG-CZPAUSFGSA-N 0 0 543.792 9.454 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969594 553942644 /nfs/dbraw/zinc/94/26/44/553942644.db2.gz GOOTUXARKNMTAR-SSOJOUAXSA-N 0 0 572.639 5.465 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969591 553942651 /nfs/dbraw/zinc/94/26/51/553942651.db2.gz XJYHAOMGDXJZLN-UKPGIYTDSA-N 0 0 612.748 7.453 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000097969587 553942710 /nfs/dbraw/zinc/94/27/10/553942710.db2.gz YHQOLSKPNPQCOG-PFUJUPGJSA-N 0 0 543.792 9.454 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097969641 553943416 /nfs/dbraw/zinc/94/34/16/553943416.db2.gz CRORFPPRSJEMGY-KCWXNJEJSA-N 0 0 559.663 5.453 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097969642 553943484 /nfs/dbraw/zinc/94/34/84/553943484.db2.gz CRORFPPRSJEMGY-LGGPFLRQSA-N 0 0 559.663 5.453 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969709 553943703 /nfs/dbraw/zinc/94/37/03/553943703.db2.gz ANPATNMQLKMQGC-XFSFLGPDSA-N 0 0 618.711 7.299 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969743 553944082 /nfs/dbraw/zinc/94/40/82/553944082.db2.gz IMAQYRVABKJIHF-ADSBAMQRSA-N 0 0 609.103 7.635 50 30 KKEARN Cc1ccc(C)c(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)c1 ZINC000097969771 553944640 /nfs/dbraw/zinc/94/46/40/553944640.db2.gz APQQPXXGOMCEAE-OCFUFMPISA-N 0 0 552.055 6.221 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969749 553944711 /nfs/dbraw/zinc/94/47/11/553944711.db2.gz HWRMOMJNZOYLFC-WINIVTDRSA-N 0 0 583.735 7.060 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969791 553944864 /nfs/dbraw/zinc/94/48/64/553944864.db2.gz FHRFIGQRYJQXFE-JWIGPWBQSA-N 0 0 602.665 5.827 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969871 553946362 /nfs/dbraw/zinc/94/63/62/553946362.db2.gz MNUSBSTZCQWDBJ-HHHXNRCGSA-N 0 0 570.623 5.814 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969886 553946555 /nfs/dbraw/zinc/94/65/55/553946555.db2.gz XUSYBQWYCABQCX-PLTNMMHCSA-N 0 0 628.747 7.235 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097969940 553947380 /nfs/dbraw/zinc/94/73/80/553947380.db2.gz GYKLCLJWQOEHGC-MHZLTWQESA-N 0 0 582.678 6.607 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969962 553947749 /nfs/dbraw/zinc/94/77/49/553947749.db2.gz XYXOGNMJLCCZBV-KWMCUTETSA-N 0 0 580.662 6.339 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097969967 553947770 /nfs/dbraw/zinc/94/77/70/553947770.db2.gz BOWCSTDDFGOAHZ-PMERELPUSA-N 0 0 557.643 5.856 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969965 553947858 /nfs/dbraw/zinc/94/78/58/553947858.db2.gz FSQXQJYFDVAELA-YTTGMZPUSA-N 0 0 634.710 7.055 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000097970014 553948067 /nfs/dbraw/zinc/94/80/67/553948067.db2.gz BYDHMMQIFBWTPU-JRPXNJEYSA-N 0 0 582.722 7.444 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970047 553948428 /nfs/dbraw/zinc/94/84/28/553948428.db2.gz IJEYLKQMARZSCU-XBBWARJSSA-N 0 0 584.694 6.899 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970036 553948515 /nfs/dbraw/zinc/94/85/15/553948515.db2.gz WMQTYBYLZGXGMK-YHAMSUFESA-N 0 0 574.655 5.724 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970049 553948587 /nfs/dbraw/zinc/94/85/87/553948587.db2.gz MIZNNHGNNNFTBP-WRGVRERRSA-N 0 0 598.721 7.370 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970042 553948771 /nfs/dbraw/zinc/94/87/71/553948771.db2.gz FFDKEYQNLJXYEG-PRAQEBQASA-N 0 0 598.721 7.370 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970112 553949522 /nfs/dbraw/zinc/94/95/22/553949522.db2.gz RRQDENMUZHVNLS-CGKQSPDFSA-N 0 0 653.156 8.034 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970105 553949665 /nfs/dbraw/zinc/94/96/65/553949665.db2.gz BLFUFJWFKVNPKW-GDLZYMKVSA-N 0 0 600.693 6.674 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970159 553950357 /nfs/dbraw/zinc/95/03/57/553950357.db2.gz IMYGHNOCBHLWCD-DXPJPUQTSA-N 0 0 576.671 5.948 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2c(F)cccc2Cl)cc1 ZINC000033357742 553950649 /nfs/dbraw/zinc/95/06/49/553950649.db2.gz DLRHQWKURYRFLM-QPHCHLROSA-N 0 0 577.052 6.505 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2c(F)cccc2Cl)cc1 ZINC000033357744 553950687 /nfs/dbraw/zinc/95/06/87/553950687.db2.gz DLRHQWKURYRFLM-FZYZMVIOSA-N 0 0 577.052 6.505 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970212 553951302 /nfs/dbraw/zinc/95/13/02/553951302.db2.gz WIYCYUVWPIOKAT-WGDIFIGCSA-N 0 0 606.697 5.922 50 30 KKEARN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097970264 553951554 /nfs/dbraw/zinc/95/15/54/553951554.db2.gz YRYUFOYKCXLKRJ-LOVBMFSXSA-N 0 0 592.891 6.910 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970317 553952542 /nfs/dbraw/zinc/95/25/42/553952542.db2.gz PIXNNCFZLJJBGW-KTBRYMIGSA-N 0 0 618.711 7.380 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097970394 553953272 /nfs/dbraw/zinc/95/32/72/553953272.db2.gz MWFWBZZTTIYVNL-GDLZYMKVSA-N 0 0 598.677 6.431 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970379 553953336 /nfs/dbraw/zinc/95/33/36/553953336.db2.gz WDHRFKZKIHCXDL-CLYVBNDRSA-N 0 0 618.708 6.088 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970376 553953355 /nfs/dbraw/zinc/95/33/55/553953355.db2.gz WDHRFKZKIHCXDL-XRHLQHRESA-N 0 0 618.708 6.088 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000033358230 553953924 /nfs/dbraw/zinc/95/39/24/553953924.db2.gz XXXPHDCGOCTGGT-JVWAILMASA-N 0 0 573.512 7.698 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(I)c1OCc1ccccc1 ZINC000033358228 553953950 /nfs/dbraw/zinc/95/39/50/553953950.db2.gz MAEMETTYJXBYLY-UCQKPKSFSA-N 0 0 570.452 6.387 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000033358283 553954249 /nfs/dbraw/zinc/95/42/49/553954249.db2.gz ALSOYSLRAPHJEF-IYCMYEMBSA-N 0 0 574.899 6.520 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970478 553954483 /nfs/dbraw/zinc/95/44/83/553954483.db2.gz MHZMSKWSIRTPJG-SSEXGKCCSA-N 0 0 606.656 6.438 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097970463 553954659 /nfs/dbraw/zinc/95/46/59/553954659.db2.gz BRPKTQXYDFBSKG-CHJDUVSTSA-N 0 0 573.690 5.843 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970471 553954681 /nfs/dbraw/zinc/95/46/81/553954681.db2.gz IBOQZXDXKMPDEA-MYUZEXMDSA-N 0 0 618.180 7.714 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000033358371 553955006 /nfs/dbraw/zinc/95/50/06/553955006.db2.gz JGPIOYZQRYJONS-HLADLETHSA-N 0 0 538.600 5.751 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000097970497 553955138 /nfs/dbraw/zinc/95/51/38/553955138.db2.gz RBUBOAWEJXBRFC-WJOKGBTCSA-N 0 0 551.743 8.894 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970537 553955549 /nfs/dbraw/zinc/95/55/49/553955549.db2.gz LVHQGMSWFNPGNZ-CHAGWJKLSA-N 0 0 572.639 5.819 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000033358446 553955841 /nfs/dbraw/zinc/95/58/41/553955841.db2.gz KHTSBBCEXSDIDZ-PBUKZNKTSA-N 0 0 554.687 7.193 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970555 553955896 /nfs/dbraw/zinc/95/58/96/553955896.db2.gz DUIUSWNCWUHUMV-MYYSRTQBSA-N 0 0 578.643 5.142 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970610 553956440 /nfs/dbraw/zinc/95/64/40/553956440.db2.gz FEMQRVTYPGSWBZ-JCOAXYOVSA-N 0 0 588.685 7.812 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970624 553956731 /nfs/dbraw/zinc/95/67/31/553956731.db2.gz WDBFLAWGLSOKPX-WRGVRERRSA-N 0 0 598.721 7.289 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970625 553956875 /nfs/dbraw/zinc/95/68/75/553956875.db2.gz WDBFLAWGLSOKPX-PRAQEBQASA-N 0 0 598.721 7.289 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3ccc(Br)cc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000033358585 553956869 /nfs/dbraw/zinc/95/68/69/553956869.db2.gz ZDLQNFCZVZXXHR-HEFCMCLBSA-N 0 0 640.957 8.296 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097970668 553957132 /nfs/dbraw/zinc/95/71/32/553957132.db2.gz KTWNVLFQHPDDMZ-SSEXGKCCSA-N 0 0 583.169 9.308 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970673 553957226 /nfs/dbraw/zinc/95/72/26/553957226.db2.gz VKINNUVWUPTWEM-NBLPZQPVSA-N 0 0 632.738 7.607 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970705 553957515 /nfs/dbraw/zinc/95/75/15/553957515.db2.gz UJSDQAAKPRUHAN-BZQUYTCOSA-N 0 0 562.644 5.558 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970724 553957963 /nfs/dbraw/zinc/95/79/63/553957963.db2.gz JUJMHJHOPKWVAU-PLTNMMHCSA-N 0 0 628.747 7.379 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970756 553958331 /nfs/dbraw/zinc/95/83/31/553958331.db2.gz NFCLWJVXVSQVGD-VKGTZQKMSA-N 0 0 568.651 6.227 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097970911 553959285 /nfs/dbraw/zinc/95/92/85/553959285.db2.gz AAHDFAYSAICKJK-QFVYVUNWSA-N 0 0 589.817 9.163 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970967 553959795 /nfs/dbraw/zinc/95/97/95/553959795.db2.gz PCLFCOFEJRHOIJ-XMMPIXPASA-N 0 0 562.600 5.122 50 30 KKEARN COc1ccc(/C=C2\CCC[C@H]3C2=NN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000097971195 553961371 /nfs/dbraw/zinc/96/13/71/553961371.db2.gz LZOXXCUXBZTBSU-HNWZQBEKSA-N 0 0 591.733 7.136 50 30 KKEARN CCCCCCCCOc1ccc(-c2nnc(-c3ccc(-n4c5ccc(Br)cc5c5cc(Br)ccc54)cc3)o2)cc1 ZINC000097971318 553962346 /nfs/dbraw/zinc/96/23/46/553962346.db2.gz DJUMYEWPVGWHMB-UHFFFAOYSA-N 0 0 673.449 10.765 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3O)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000097973009 553967807 /nfs/dbraw/zinc/96/78/07/553967807.db2.gz AGGJTLMNVRLDTA-MTDXEUNCSA-N 0 0 537.615 5.295 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000097979038 553975781 /nfs/dbraw/zinc/97/57/81/553975781.db2.gz JILDMSCZHXYZDU-UHFFFAOYSA-N 0 0 658.728 5.943 50 30 KKEARN COc1cc(/C=C\C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC ZINC000033908761 553976327 /nfs/dbraw/zinc/97/63/27/553976327.db2.gz BIXYQGZCWJGXLW-RAXLEYEMSA-N 0 0 518.407 6.895 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000033930628 553977066 /nfs/dbraw/zinc/97/70/66/553977066.db2.gz IEPHVMGAFSULLF-ROERJRBBSA-N 0 0 535.637 5.424 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000033930631 553977140 /nfs/dbraw/zinc/97/71/40/553977140.db2.gz IEPHVMGAFSULLF-MNUVWUGUSA-N 0 0 535.637 5.424 50 30 KKEARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F ZINC000097979324 553978122 /nfs/dbraw/zinc/97/81/22/553978122.db2.gz HUCFTRFSVXQONC-MDZDMXLPSA-N 0 0 552.552 5.506 50 30 KKEARN CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2sccc2C#N)/C(=C/c2cccs2)C1 ZINC000097979643 553981139 /nfs/dbraw/zinc/98/11/39/553981139.db2.gz KRJBJESPZSKXOR-IAERKFLBSA-N 0 0 541.698 7.174 50 30 KKEARN CCCCCCCCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)CCCC3 ZINC000097980048 553984863 /nfs/dbraw/zinc/98/48/63/553984863.db2.gz QRNAUSIEIPYIAQ-UHFFFAOYSA-N 0 0 657.928 6.679 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OCC)c(OC)c3)C2=O)c1 ZINC000097980363 553987766 /nfs/dbraw/zinc/98/77/66/553987766.db2.gz MCUJTTOGWCLEST-VEILYXNESA-N 0 0 689.734 5.960 50 30 KKEARN CC(=O)/C(=C/c1cc(C)n(-c2ccc(I)cc2)c1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000097980661 553990291 /nfs/dbraw/zinc/99/02/91/553990291.db2.gz AKMDYIGSAKIFLP-XKZIYDEJSA-N 0 0 529.334 5.218 50 30 KKEARN CCCCCCCCn1c(=S)n(CN2CCN(C/C=C/c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 ZINC000097980635 553990397 /nfs/dbraw/zinc/99/03/97/553990397.db2.gz SBRUAKYDACPSDL-SDNWHVSQSA-N 0 0 538.205 7.383 50 30 KKEARN CCOC(=O)N1C/C(=C/c2ccc(Br)cc2F)C(=O)/C(=C\c2ccc(Br)cc2F)C1 ZINC000097982464 554002444 /nfs/dbraw/zinc/00/24/44/554002444.db2.gz WDSYSROGVBIKFC-DUGOVBPYSA-N 0 0 541.186 5.998 50 30 KKEARN N#CC(CC(=O)N1CCCCCC1)(CC(=O)N1CCCCCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000097982688 554004706 /nfs/dbraw/zinc/00/47/06/554004706.db2.gz NWFXOXOPMOBGQU-UHFFFAOYSA-N 0 0 547.552 6.464 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097983043 554007185 /nfs/dbraw/zinc/00/71/85/554007185.db2.gz MTSGPDRGWMSLQD-RUZDIDTESA-N 0 0 690.991 9.652 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097983054 554007347 /nfs/dbraw/zinc/00/73/47/554007347.db2.gz UUPINHLLLBSPFU-VWLOTQADSA-N 0 0 610.092 8.955 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccccc1Br ZINC000097983209 554007867 /nfs/dbraw/zinc/00/78/67/554007867.db2.gz NFLYJIGFUGCSQN-CYYJNZCTSA-N 0 0 560.425 7.558 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/[P@@](=NS(=O)(=O)c1ccc(Cl)cc1)(Oc1ccc(C#N)cc1)c1ccccc1 ZINC000097983430 554009398 /nfs/dbraw/zinc/00/93/98/554009398.db2.gz NQXOYDOZTNHHOQ-PKZXKDKWSA-N 0 0 588.069 7.690 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CN(C)C/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2=O)o1 ZINC000097983570 554010060 /nfs/dbraw/zinc/01/00/60/554010060.db2.gz RAVIUSBAZSUETA-SVJPUMPYSA-N 0 0 581.676 7.176 50 30 KKEARN Cc1cc(/C=C2\CN(C)C/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000097983629 554010595 /nfs/dbraw/zinc/01/05/95/554010595.db2.gz WARITBSDCFNUQB-WVZLMVLXSA-N 0 0 633.428 8.008 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000097984766 554018272 /nfs/dbraw/zinc/01/82/72/554018272.db2.gz OKGKOUHLRWBFOG-MHLUDOCZSA-N 0 0 528.859 6.425 50 30 KKEARN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864672 554022094 /nfs/dbraw/zinc/02/20/94/554022094.db2.gz VAEZLCHCFUMAGF-IMFPYUTOSA-N 0 0 500.595 6.167 50 30 KKEARN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000034868820 554022251 /nfs/dbraw/zinc/02/22/51/554022251.db2.gz FTQLYKJBYARPGM-KPQBPLAMSA-N 0 0 521.686 7.657 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097994900 554032977 /nfs/dbraw/zinc/03/29/77/554032977.db2.gz HZSCLISTGBRVSQ-SSEXGKCCSA-N 0 0 559.839 9.827 50 30 KKEARN COc1cc(OC)cc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000035045712 554033549 /nfs/dbraw/zinc/03/35/49/554033549.db2.gz UGIMAGYBWLENAT-MSVKWORNSA-N 0 0 519.645 5.891 50 30 KKEARN Cc1ccc2oc(-c3cc(N=CC4=CC(=[NH+][N-]c5cccc(Br)c5)C=CC4=O)ccc3O)nc2c1 ZINC000097995575 554036136 /nfs/dbraw/zinc/03/61/36/554036136.db2.gz LDPBYTOGRQMPDJ-STHZSOENSA-N 0 0 527.378 8.143 50 30 KKEARN CCCCCCCC1CCC(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000097995709 554037041 /nfs/dbraw/zinc/03/70/41/554037041.db2.gz MHMFAVPQWOZXMY-XUNZJTMSSA-N 0 0 504.737 6.207 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000097999653 554044852 /nfs/dbraw/zinc/04/48/52/554044852.db2.gz WOGUDUCWUZWKQH-CAQRMWTPSA-N 0 0 593.079 7.350 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000097999874 554046483 /nfs/dbraw/zinc/04/64/83/554046483.db2.gz RZRCWKBBJLARHT-UHFFFAOYSA-N 0 0 635.145 8.366 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097999963 554047487 /nfs/dbraw/zinc/04/74/87/554047487.db2.gz CXRGNZRJGVFBFL-OHWKKVTOSA-N 0 0 625.121 7.589 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1 ZINC000098001148 554051540 /nfs/dbraw/zinc/05/15/40/554051540.db2.gz GJXNGTRSCDQSAM-NBKNYSPXSA-N 0 0 538.489 6.636 50 30 KKEARN Cc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000098001242 554051908 /nfs/dbraw/zinc/05/19/08/554051908.db2.gz GALUWGRIGFSCLC-UHFFFAOYSA-N 0 0 725.249 7.309 50 30 KKEARN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001196 554051913 /nfs/dbraw/zinc/05/19/13/554051913.db2.gz GTTITKHSRXWWBD-KRWDZBQOSA-N 0 0 560.404 6.751 50 30 KKEARN CCN(CC)C(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001189 554051937 /nfs/dbraw/zinc/05/19/37/554051937.db2.gz TZYKBLFRDYPSPL-ZDUSSCGKSA-N 0 0 504.296 5.142 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3OC)nc(Nc3ccccc3)n2)cc1 ZINC000098001377 554052266 /nfs/dbraw/zinc/05/22/66/554052266.db2.gz WULVCAHJIFBPPY-MZJWZYIUSA-N 0 0 693.287 6.031 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1 ZINC000098001326 554052274 /nfs/dbraw/zinc/05/22/74/554052274.db2.gz FSDOSBGBBVYNOB-UHFFFAOYSA-N 0 0 664.887 11.462 50 30 KKEARN CCCCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000098001619 554052850 /nfs/dbraw/zinc/05/28/50/554052850.db2.gz AZOZFSBYRDVUBM-BMTVMYNVSA-N 0 0 684.815 6.740 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000098003606 554055351 /nfs/dbraw/zinc/05/53/51/554055351.db2.gz GPKMQDYNIHFSCS-UHFFFAOYSA-N 0 0 538.294 6.086 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2ccccc2Cl)cc1 ZINC000098003645 554055692 /nfs/dbraw/zinc/05/56/92/554055692.db2.gz XAVGEGVDXFOCSG-XSJBNIOMSA-N 0 0 625.121 7.589 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000098005872 554059188 /nfs/dbraw/zinc/05/91/88/554059188.db2.gz CISWQNUKSJXMET-MRXNPFEDSA-N 0 0 550.920 7.318 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]1c1ccccc1)CCCC2 ZINC000098006102 554060480 /nfs/dbraw/zinc/06/04/80/554060480.db2.gz MWALTHAZAACJAP-SKCUWOTOSA-N 0 0 552.696 6.414 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(OC)c2)sc2c1CCCC2 ZINC000098006257 554060834 /nfs/dbraw/zinc/06/08/34/554060834.db2.gz BWTJYUCELJZXFS-RUZDIDTESA-N 0 0 548.705 6.055 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccc(SC)cc1)CCCC2 ZINC000098006172 554060866 /nfs/dbraw/zinc/06/08/66/554060866.db2.gz ZFWICVJLUXXQCJ-XMMPIXPASA-N 0 0 550.746 6.378 50 30 KKEARN CCCCCCCCS(=O)(=O)c1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000098006305 554061183 /nfs/dbraw/zinc/06/11/83/554061183.db2.gz XUJYWMCEGNKLBM-UHFFFAOYSA-N 0 0 521.610 5.988 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008044 554065674 /nfs/dbraw/zinc/06/56/74/554065674.db2.gz QJAFTRLYXVEQFF-VKIDHGPPSA-N 0 0 537.584 5.745 50 30 KKEARN NC1=C(C(=O)Nc2nccs2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1c1ccc(C(F)(F)F)cc1 ZINC000098008084 554065953 /nfs/dbraw/zinc/06/59/53/554065953.db2.gz OGCDVCGUPUSKMR-FQEVSTJZSA-N 0 0 528.531 5.721 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008138 554066338 /nfs/dbraw/zinc/06/63/38/554066338.db2.gz WQXHJCZDMFEWOQ-VPYPWEPUSA-N 0 0 550.076 6.429 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008206 554067016 /nfs/dbraw/zinc/06/70/16/554067016.db2.gz BYGMAEJJPWIKOR-ANSQWYIGSA-N 0 0 584.572 6.386 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098009116 554069371 /nfs/dbraw/zinc/06/93/71/554069371.db2.gz ZXUSGNATZMOEQY-UHFFFAOYSA-N 0 0 543.660 6.381 50 30 KKEARN C=CCn1c(SCCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000098009729 554070734 /nfs/dbraw/zinc/07/07/34/554070734.db2.gz RLIMJCUWVLZUNS-QGZVFWFLSA-N 0 0 628.241 7.448 50 30 KKEARN O=C(Nc1ccc(-n2nc(OCc3ccc(F)cc3)nc2-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000098010629 554072905 /nfs/dbraw/zinc/07/29/05/554072905.db2.gz FHACDAVSSJNFFZ-UHFFFAOYSA-N 0 0 600.494 7.942 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000098010664 554073447 /nfs/dbraw/zinc/07/34/47/554073447.db2.gz JRNCKNMGIGRWAN-UHFFFAOYSA-N 0 0 531.594 5.601 50 30 KKEARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1 ZINC000098017188 554106603 /nfs/dbraw/zinc/10/66/03/554106603.db2.gz LLHRNFLTTNMWDO-UHFFFAOYSA-N 0 0 572.546 7.067 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3cc4cc(Br)ccc4oc3=O)c2C#N)cc1 ZINC000035955685 554107831 /nfs/dbraw/zinc/10/78/31/554107831.db2.gz MIFIRFWISAOJPX-UHFFFAOYSA-N 0 0 561.417 5.317 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000035973752 554114886 /nfs/dbraw/zinc/11/48/86/554114886.db2.gz VWJNVABPOKXZTD-KJFKMWBDSA-N 0 0 505.611 5.416 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000098019897 554115442 /nfs/dbraw/zinc/11/54/42/554115442.db2.gz DGOMYCJLZYQMHG-UHFFFAOYSA-N 0 0 567.642 5.527 50 30 KKEARN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 ZINC000098021580 554119535 /nfs/dbraw/zinc/11/95/35/554119535.db2.gz VXYXQZSCEBVGGZ-UHFFFAOYSA-N 0 0 540.483 5.823 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc5c(c3)OCO5)N4)sc2C1 ZINC000098023199 554120463 /nfs/dbraw/zinc/12/04/63/554120463.db2.gz FVRNQCVDAAIPTB-YLEKAMJDSA-N 0 0 571.625 6.609 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000098037054 554121099 /nfs/dbraw/zinc/12/10/99/554121099.db2.gz MQVXQOAWQADDKT-FNZWTVRRSA-N 0 0 523.589 5.766 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000098042805 554122415 /nfs/dbraw/zinc/12/24/15/554122415.db2.gz XOIXFHGRDIXCQX-WENCNXQZSA-N 0 0 575.517 8.278 50 30 KKEARN CCCCCCCCCc1nc2ccc(Cc3ccc4nc(CCCCCCCCC)oc(=O)c4c3)cc2c(=O)o1 ZINC000098043409 554127105 /nfs/dbraw/zinc/12/71/05/554127105.db2.gz QRGAFBZECRILKC-UHFFFAOYSA-N 0 0 558.763 8.866 50 30 KKEARN CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1 ZINC000098044970 554130086 /nfs/dbraw/zinc/13/00/86/554130086.db2.gz GJVFPXBDZTWODC-JOCHJYFZSA-N 0 0 622.622 8.335 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000098045018 554130266 /nfs/dbraw/zinc/13/02/66/554130266.db2.gz YLSLKFWINHAIGF-WOPWWUTRSA-N 0 0 589.607 9.772 50 30 KKEARN O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)C(F)(F)F ZINC000098045058 554130290 /nfs/dbraw/zinc/13/02/90/554130290.db2.gz LQWJUMCIPQNTBI-MRXNPFEDSA-N 0 0 513.207 5.221 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000098045103 554130666 /nfs/dbraw/zinc/13/06/66/554130666.db2.gz OCCIWBOBEZQMLM-JPZYQRIQSA-N 0 0 539.462 8.204 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000098045111 554130679 /nfs/dbraw/zinc/13/06/79/554130679.db2.gz WLXUQGHDYHDFMU-UDNBHOFDSA-N 0 0 569.488 8.216 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000098045526 554132238 /nfs/dbraw/zinc/13/22/38/554132238.db2.gz YBNBMNSKFYNOGI-UVDDSOTQSA-N 0 0 568.004 7.602 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000098046036 554135244 /nfs/dbraw/zinc/13/52/44/554135244.db2.gz XRYUPUOZOLRYHU-NDEPHWFRSA-N 0 0 557.002 6.114 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046572 554140847 /nfs/dbraw/zinc/14/08/47/554140847.db2.gz ZRAHQYDEMUFGBV-DEOSSOPVSA-N 0 0 574.655 5.646 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046683 554142287 /nfs/dbraw/zinc/14/22/87/554142287.db2.gz KQUFFLOGBYZGIO-MUUNZHRXSA-N 0 0 586.486 6.202 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)c1 ZINC000098046698 554142806 /nfs/dbraw/zinc/14/28/06/554142806.db2.gz VCXIRUJWCCMRGY-UMSFTDKQSA-N 0 0 582.656 7.540 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1ccc(OC)cc1 ZINC000036030635 554143578 /nfs/dbraw/zinc/14/35/78/554143578.db2.gz RHHCBPWGEHEEOA-UHFFFAOYSA-N 0 0 521.683 5.508 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037844 554146423 /nfs/dbraw/zinc/14/64/23/554146423.db2.gz LTEHNDVSJMKXCI-IEXUWNMDSA-N 0 0 523.651 5.251 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1CC(C)C)C(=O)c1cccc(Cl)c1 ZINC000036039837 554147541 /nfs/dbraw/zinc/14/75/41/554147541.db2.gz UQSHUSSWVDWLIA-UHFFFAOYSA-N 0 0 500.064 5.303 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Br)c3)n2)ccc1OCCC(C)C ZINC000098047226 554148015 /nfs/dbraw/zinc/14/80/15/554148015.db2.gz GIDOWMMYXBSSAC-UHFFFAOYSA-N 0 0 592.481 7.866 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000036040261 554148761 /nfs/dbraw/zinc/14/87/61/554148761.db2.gz QMDZMVKRBLEACT-UHFFFAOYSA-N 0 0 520.054 5.387 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047344 554149503 /nfs/dbraw/zinc/14/95/03/554149503.db2.gz DTPKKQCATXYQOT-MUUNZHRXSA-N 0 0 631.795 8.229 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(=O)c1cccc(Cl)c1 ZINC000036042782 554151585 /nfs/dbraw/zinc/15/15/85/554151585.db2.gz IETGNTBFJBAKLW-UHFFFAOYSA-N 0 0 506.455 5.573 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000036042852 554151843 /nfs/dbraw/zinc/15/18/43/554151843.db2.gz GDPQLFVDSKXSIM-UHFFFAOYSA-N 0 0 505.015 5.451 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c2C#N)c1 ZINC000098047517 554152138 /nfs/dbraw/zinc/15/21/38/554152138.db2.gz RDHRAHZXQWAYCW-UHFFFAOYSA-N 0 0 568.020 7.911 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(F)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047542 554152623 /nfs/dbraw/zinc/15/26/23/554152623.db2.gz DJSFOXDTCJAGGA-UHFFFAOYSA-N 0 0 581.591 7.487 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1C ZINC000036049270 554154801 /nfs/dbraw/zinc/15/48/01/554154801.db2.gz SMTNRKHFMLJPJC-UHFFFAOYSA-N 0 0 510.594 5.132 50 30 KKEARN Cc1ccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000098047755 554155308 /nfs/dbraw/zinc/15/53/08/554155308.db2.gz MVDILWIHXYDEBW-UUWRZZSWSA-N 0 0 604.703 6.277 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048052 554159180 /nfs/dbraw/zinc/15/91/80/554159180.db2.gz GSRJQQLWQPBHII-MQNRADLISA-N 0 0 530.577 5.940 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048057 554159202 /nfs/dbraw/zinc/15/92/02/554159202.db2.gz RRNKGJXSCWJHCO-PVPMGCCUSA-N 0 0 560.603 5.949 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccccc1 ZINC000036058169 554160097 /nfs/dbraw/zinc/16/00/97/554160097.db2.gz ZTRJQGXEFBYBLQ-UHFFFAOYSA-N 0 0 505.405 6.113 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000098049074 554162937 /nfs/dbraw/zinc/16/29/37/554162937.db2.gz FWVDBKRTQQUWSG-QHCPKHFHSA-N 0 0 566.477 6.030 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000098049073 554162998 /nfs/dbraw/zinc/16/29/98/554162998.db2.gz WEOIUYXINJNSQU-XMMPIXPASA-N 0 0 582.520 6.319 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000098049116 554163227 /nfs/dbraw/zinc/16/32/27/554163227.db2.gz QGDZQMCMLRRUQJ-HDYLNDSGSA-N 0 0 535.662 5.131 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000098050148 554172633 /nfs/dbraw/zinc/17/26/33/554172633.db2.gz GWZIUTNHKDLYIB-ADXZGYQBSA-N 0 0 526.430 7.384 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(OC)cc3)c3cc(C)ccc3n2)cc1 ZINC000098050386 554174474 /nfs/dbraw/zinc/17/44/74/554174474.db2.gz NEEQNCZVCILIBT-UHFFFAOYSA-N 0 0 509.646 7.771 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050470 554175013 /nfs/dbraw/zinc/17/50/13/554175013.db2.gz KZBSIQYRHUYJBS-XWXNCDGJSA-N 0 0 642.634 8.668 50 30 KKEARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(CC(=O)c5ccc(C6CCCCC6)cc5)c(=O)[nH]c4c3)CC2)c1 ZINC000098176444 554176879 /nfs/dbraw/zinc/17/68/79/554176879.db2.gz SGQQPYOHKYLHIS-VAMRJTSQSA-N 0 0 562.714 6.444 50 30 KKEARN c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCOC[C@@H]2CO2)cc1)c1ccc(OCCOC[C@H]2CO2)cc1 ZINC000100022393 554182232 /nfs/dbraw/zinc/18/22/32/554182232.db2.gz QWPTZLOWXIETLI-RNPORBBMSA-N 0 0 550.651 5.638 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000036117127 554184235 /nfs/dbraw/zinc/18/42/35/554184235.db2.gz AIAWHYFRCLKROH-AREMUKBSSA-N 0 0 506.643 5.844 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1F ZINC000036117126 554184259 /nfs/dbraw/zinc/18/42/59/554184259.db2.gz MGFVKRREKPMPII-SANMLTNESA-N 0 0 506.643 5.844 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100030633 554185304 /nfs/dbraw/zinc/18/53/04/554185304.db2.gz AEKRNUIXPSHRJW-YOIUXKKVSA-N 0 0 574.184 7.474 50 30 KKEARN CCCCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCCCCC)c(OC)c4)cc3)cc2)cc1OC ZINC000100031640 554186131 /nfs/dbraw/zinc/18/61/31/554186131.db2.gz LOVPGZJNNZNDAE-SDOZPZOWSA-N 0 0 608.779 10.135 50 30 biogenic KKEARN O=C(/C=C/c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(/C=C\C(=O)c5ccccc5)cc4)cc3C2=O)cc1)c1ccccc1 ZINC000100033156 554187394 /nfs/dbraw/zinc/18/73/94/554187394.db2.gz WKSYYNGATDTVPQ-REPVBDINSA-N 0 0 602.646 7.532 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1CN=Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1 ZINC000100036658 554191174 /nfs/dbraw/zinc/19/11/74/554191174.db2.gz RPRWREKZMGWNQO-VULFUBBASA-N 0 0 529.517 5.247 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1 ZINC000036122398 554193833 /nfs/dbraw/zinc/19/38/33/554193833.db2.gz OMRHPFJLDAACNM-VWLOTQADSA-N 0 0 505.640 5.290 50 30 KKEARN Cc1cccc(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1 ZINC000100048985 554194049 /nfs/dbraw/zinc/19/40/49/554194049.db2.gz ZHQLIKTXHVPWMT-UHFFFAOYSA-N 0 0 591.320 7.071 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000100052791 554195198 /nfs/dbraw/zinc/19/51/98/554195198.db2.gz PGPUJUYHRXGRHJ-WWOZWPLTSA-N 0 0 540.019 7.548 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100055216 554195863 /nfs/dbraw/zinc/19/58/63/554195863.db2.gz NPVNQDOACCVHCF-DUPRQXJUSA-N 0 0 529.459 7.382 50 30 KKEARN CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3O)cc2)CC1 ZINC000100055927 554196506 /nfs/dbraw/zinc/19/65/06/554196506.db2.gz YUFNSXRVFOZSPT-VUTHCHCSSA-N 0 0 506.444 5.555 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3s2)c(C)c1 ZINC000100058188 554197301 /nfs/dbraw/zinc/19/73/01/554197301.db2.gz RNHKMPRCGAWSOQ-IZKGUHRSSA-N 0 0 570.696 8.260 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1)Nc1ccc(Br)cc1 ZINC000100061290 554198478 /nfs/dbraw/zinc/19/84/78/554198478.db2.gz XXWWCHATPNSPSD-CCVNUDIWSA-N 0 0 593.484 7.708 50 30 KKEARN CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5cc(Br)ccc5O)cc4s3)cc2s1 ZINC000100066971 554200099 /nfs/dbraw/zinc/20/00/99/554200099.db2.gz UZLZEGCLAUSTBK-KBKYJPHKSA-N 0 0 601.598 7.577 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc2s1)NCCOc1ccc(Cl)cc1 ZINC000100067730 554200126 /nfs/dbraw/zinc/20/01/26/554200126.db2.gz JNDLAEOUHVGUPQ-XZYGTATASA-N 0 0 582.150 8.294 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(OCc3cccc4ccccc43)cc2)sc2c1CCCC2 ZINC000100075117 554203790 /nfs/dbraw/zinc/20/37/90/554203790.db2.gz IMTPAYUWXVHJNI-ICUTVXMZSA-N 0 0 530.693 8.040 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100076412 554204514 /nfs/dbraw/zinc/20/45/14/554204514.db2.gz BOSCIYXSYUMTRP-WXTAPIANSA-N 0 0 570.480 5.875 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100076405 554204562 /nfs/dbraw/zinc/20/45/62/554204562.db2.gz BOSCIYXSYUMTRP-HFJWLAOPSA-N 0 0 570.480 5.875 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100076643 554204581 /nfs/dbraw/zinc/20/45/81/554204581.db2.gz RDNRFMJRXXIZHQ-ZOYWYXQUSA-N 0 0 553.655 5.947 50 30 biogenic,in-vitro KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000100077296 554205130 /nfs/dbraw/zinc/20/51/30/554205130.db2.gz SKBANHKKGIJHRC-QLXKLKPCSA-N 0 0 528.432 6.427 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000100077717 554205212 /nfs/dbraw/zinc/20/52/12/554205212.db2.gz KGSHBDBXUHQEAS-XODNFHPESA-N 0 0 570.452 7.942 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000100078090 554205527 /nfs/dbraw/zinc/20/55/27/554205527.db2.gz QAITUAFBLRIOCC-DNOBIOAJSA-N 0 0 568.464 5.747 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100079669 554206044 /nfs/dbraw/zinc/20/60/44/554206044.db2.gz KGDBLLAEZBFXTN-WBBHLRKXSA-N 0 0 547.139 7.424 50 30 KKEARN Cc1c(/N=C/c2ccc(O[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000100083382 554207868 /nfs/dbraw/zinc/20/78/68/554207868.db2.gz AUYPCOWVUXJHRC-HQYUJTHISA-N 0 0 537.875 5.472 50 30 KKEARN CCCCCCCCS(=O)(=O)C(=C(Nc1ccc(CC)cc1)Nc1ccc(CC)cc1)S(=O)(=O)CCCCCCCC ZINC000100084986 554208428 /nfs/dbraw/zinc/20/84/28/554208428.db2.gz OFMVQBOVEZWLAH-UHFFFAOYSA-N 0 0 618.950 9.013 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000100085067 554208438 /nfs/dbraw/zinc/20/84/38/554208438.db2.gz WFPHGZLRSWSEQP-LJQANCHMSA-N 0 0 611.237 6.588 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=NC(c3ccccc3)c3ccccc3)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100088855 554210056 /nfs/dbraw/zinc/21/00/56/554210056.db2.gz PIJQYZVZYVOCDN-HHHXNRCGSA-N 0 0 584.097 6.559 50 30 KKEARN COc1ccccc1N1C(=O)C[C@H](SC(=NCc2ccccc2)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000100090220 554210740 /nfs/dbraw/zinc/21/07/40/554210740.db2.gz IYWNCVROLBTBMM-QFIPXVFZSA-N 0 0 529.540 5.436 50 30 KKEARN C=CCOC[C@H](O)CN(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304413 554214364 /nfs/dbraw/zinc/21/43/64/554214364.db2.gz WFYPVULOLFNFKO-XMMPIXPASA-N 0 0 503.599 5.140 50 30 KKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1Cl ZINC000100107063 554220806 /nfs/dbraw/zinc/22/08/06/554220806.db2.gz 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/nfs/dbraw/zinc/30/20/79/554302079.db2.gz UWZFCJRCSHYJBQ-NRFANRHFSA-N 0 0 538.069 6.454 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000100332759 554315085 /nfs/dbraw/zinc/31/50/85/554315085.db2.gz LIGGMIFWJUZOIP-LICLKQGHSA-N 0 0 554.216 5.921 50 30 KKEARN COc1cc(C(=O)/C(=C/c2sc(N3CCCCC3)nc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049551933 554323593 /nfs/dbraw/zinc/32/35/93/554323593.db2.gz GSRLQQZIHZELBT-MNDPQUGUSA-N 0 0 518.639 5.767 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000049722719 554324714 /nfs/dbraw/zinc/32/47/14/554324714.db2.gz PEINYWSPPBNITE-CRICUBBOSA-N 0 0 546.447 5.562 50 30 KKEARN Cn1cnnc1Sc1ccc(/C=C/c2cc(-c3ccccc3)n3c4ccccc4nc3c2C#N)cc1[N+](=O)[O-] ZINC000051012516 554328767 /nfs/dbraw/zinc/32/87/67/554328767.db2.gz DPKQSJMTVCOSMK-ACCUITESSA-N 0 0 529.585 6.384 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000053253835 554330212 /nfs/dbraw/zinc/33/02/12/554330212.db2.gz KMTDCBMCAVUUBU-LJAQVGFWSA-N 0 0 555.428 6.899 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSc3ccccn3)c(C#N)c2)ccc1NC(=O)CSc1ccccn1 ZINC000053254530 554330221 /nfs/dbraw/zinc/33/02/21/554330221.db2.gz VQGSFCGDQQJNFX-UHFFFAOYSA-N 0 0 550.669 5.272 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)Nc2ccc(Br)cc2Br)c(C#N)c1-c1cccs1 ZINC000053277265 554330870 /nfs/dbraw/zinc/33/08/70/554330870.db2.gz JSMWMSJDCYLSPD-UHFFFAOYSA-N 0 0 549.273 5.391 50 30 KKEARN CCN(CC)c1nc(N)c2c(c1C#N)[C@@](C#N)(CC(=O)c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)=C2N ZINC000053277425 554330980 /nfs/dbraw/zinc/33/09/80/554330980.db2.gz YRNUAKCQYGGNNJ-LJAQVGFWSA-N 0 0 559.457 5.289 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053290122 554331232 /nfs/dbraw/zinc/33/12/32/554331232.db2.gz VHKCEKPJQVWBGW-HSZRJFAPSA-N 0 0 549.446 6.467 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000053291397 554331510 /nfs/dbraw/zinc/33/15/10/554331510.db2.gz AIPXUBAULLWUKN-JOCHJYFZSA-N 0 0 544.833 5.366 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305847 554332803 /nfs/dbraw/zinc/33/28/03/554332803.db2.gz PCGRSEQHBBOKLT-QHCPKHFHSA-N 0 0 549.446 6.549 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000053306461 554333962 /nfs/dbraw/zinc/33/39/62/554333962.db2.gz YUZJWIGLELZIED-GDLZYMKVSA-N 0 0 562.541 9.139 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000053307081 554334721 /nfs/dbraw/zinc/33/47/21/554334721.db2.gz VASYFMKXSVVOTM-RUZDIDTESA-N 0 0 544.629 6.112 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053307815 554335430 /nfs/dbraw/zinc/33/54/30/554335430.db2.gz KFAIGFFZNBGVAY-RUZDIDTESA-N 0 0 530.621 6.915 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053307680 554335535 /nfs/dbraw/zinc/33/55/35/554335535.db2.gz OGMIPQYRLHSDOX-QHCPKHFHSA-N 0 0 549.446 6.549 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053319199 554336582 /nfs/dbraw/zinc/33/65/82/554336582.db2.gz YHQCXNUCMDSAAQ-OWJWWREXSA-N 0 0 527.558 5.619 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319202 554336601 /nfs/dbraw/zinc/33/66/01/554336601.db2.gz ARSPPJOWCMRPOE-XRHLQHRESA-N 0 0 596.661 5.923 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000053319222 554336631 /nfs/dbraw/zinc/33/66/31/554336631.db2.gz INGBGSOGFVBBQV-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319206 554336648 /nfs/dbraw/zinc/33/66/48/554336648.db2.gz LAHRGAFGRSZDDW-QFIPXVFZSA-N 0 0 535.419 6.159 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319226 554336920 /nfs/dbraw/zinc/33/69/20/554336920.db2.gz LLTHEJJZKISHMK-QFIPXVFZSA-N 0 0 519.420 6.459 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000053319247 554336967 /nfs/dbraw/zinc/33/69/67/554336967.db2.gz LAPSBVORNIXTLS-JCVFDAPQSA-N 0 0 556.706 8.207 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000053319325 554337247 /nfs/dbraw/zinc/33/72/47/554337247.db2.gz DJIBVXHXDMKLMR-HXUWFJFHSA-N 0 0 535.225 5.621 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000053319352 554337531 /nfs/dbraw/zinc/33/75/31/554337531.db2.gz INADFJDIUCLMBE-HGGZLQRRSA-N 0 0 568.733 8.876 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319424 554337888 /nfs/dbraw/zinc/33/78/88/554337888.db2.gz JVKTWESYXWRMPL-MHZLTWQESA-N 0 0 526.545 5.362 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000053332060 554338554 /nfs/dbraw/zinc/33/85/54/554338554.db2.gz QDKWPZAMUKLLLI-ZOYWYXQUSA-N 0 0 529.596 7.118 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000053319529 554338655 /nfs/dbraw/zinc/33/86/55/554338655.db2.gz ZSTPJSPASHUBDN-IZHWHUGBSA-N 0 0 532.618 5.549 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000053331844 554338679 /nfs/dbraw/zinc/33/86/79/554338679.db2.gz GKUATCPTBMDKRI-XMMPIXPASA-N 0 0 563.473 6.776 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332310 554338901 /nfs/dbraw/zinc/33/89/01/554338901.db2.gz MNDYHPRRHDTCDQ-CPJLOUKISA-N 0 0 540.597 5.498 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053332600 554339013 /nfs/dbraw/zinc/33/90/13/554339013.db2.gz DRKGSZLCPZJMID-MYYSRTQBSA-N 0 0 561.457 6.474 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000053332544 554339032 /nfs/dbraw/zinc/33/90/32/554339032.db2.gz RNJCMLBCIKPKEI-GEFUHLBYSA-N 0 0 572.467 8.739 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000053334755 554340081 /nfs/dbraw/zinc/34/00/81/554340081.db2.gz YTDJRYOERMVAFZ-BZQUYTCOSA-N 0 0 556.596 5.198 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053334919 554340541 /nfs/dbraw/zinc/34/05/41/554340541.db2.gz CUMUMGYDMBJQRI-WHLCRQNOSA-N 0 0 554.668 6.890 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000053335200 554340809 /nfs/dbraw/zinc/34/08/09/554340809.db2.gz FEMQRVTYPGSWBZ-UKPGIYTDSA-N 0 0 588.685 7.812 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053335802 554341421 /nfs/dbraw/zinc/34/14/21/554341421.db2.gz ZWIGRVOWZKLLLY-SHACYNPGSA-N 0 0 533.005 6.065 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000053336187 554341478 /nfs/dbraw/zinc/34/14/78/554341478.db2.gz OIJIMBBIMRPKMP-NDEPHWFRSA-N 0 0 559.449 7.054 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337701 554342465 /nfs/dbraw/zinc/34/24/65/554342465.db2.gz FNTFVSBOFIHCPI-HHHXNRCGSA-N 0 0 556.640 6.256 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2I)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000053339540 554343533 /nfs/dbraw/zinc/34/35/33/554343533.db2.gz DYTRVGCYXRUONG-UHFFFAOYSA-N 0 0 587.895 7.338 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000053339588 554343594 /nfs/dbraw/zinc/34/35/94/554343594.db2.gz BHNNELALQGQAAI-QMTYFTJSSA-N 0 0 559.087 7.354 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340472 554344288 /nfs/dbraw/zinc/34/42/88/554344288.db2.gz UBQOWWKVWUFTFP-FQEVSTJZSA-N 0 0 525.449 6.520 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340539 554344328 /nfs/dbraw/zinc/34/43/28/554344328.db2.gz YXXQEELBBXLYDF-DEOSSOPVSA-N 0 0 565.047 6.375 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000053359594 554344900 /nfs/dbraw/zinc/34/49/00/554344900.db2.gz KVLDDYINIVMPGU-ZOYWYXQUSA-N 0 0 548.683 7.081 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000053359600 554344924 /nfs/dbraw/zinc/34/49/24/554344924.db2.gz KVLDDYINIVMPGU-GOXGLGGOSA-N 0 0 548.683 7.081 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000053359688 554345282 /nfs/dbraw/zinc/34/52/82/554345282.db2.gz BZWSAHKQUOCUFU-IANOAQMISA-N 0 0 583.515 8.525 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000053359628 554345333 /nfs/dbraw/zinc/34/53/33/554345333.db2.gz CRVCAZUSXJBDTC-GHRAFVERSA-N 0 0 563.525 8.483 50 30 KKEARN O=C(Oc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1 ZINC000053359668 554345339 /nfs/dbraw/zinc/34/53/39/554345339.db2.gz ZTNFRNGDLBOXOS-RZFQCGOMSA-N 0 0 590.679 8.120 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000053360248 554345567 /nfs/dbraw/zinc/34/55/67/554345567.db2.gz XMAQMILMHKFXBF-VKGTZQKMSA-N 0 0 533.466 7.144 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N ZINC000100374658 554358854 /nfs/dbraw/zinc/35/88/54/554358854.db2.gz HJNOWMWLHVKEHO-VPUKRXIYSA-N 0 0 564.267 6.511 50 30 KKEARN O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(OC(F)(F)F)cc1 ZINC000100384699 554364591 /nfs/dbraw/zinc/36/45/91/554364591.db2.gz BNPBBOCVWNKRSR-OAQYLSRUSA-N 0 0 562.388 7.587 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000100391760 554367448 /nfs/dbraw/zinc/36/74/48/554367448.db2.gz CZHLVYTYDLJEOL-ZHRGSJJVSA-N 0 0 523.485 8.119 50 30 KKEARN Oc1ccc(Br)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000100397667 554371522 /nfs/dbraw/zinc/37/15/22/554371522.db2.gz ZOIWEZWYLVPOMF-WGARJPEWSA-N 0 0 524.216 6.487 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000100416329 554383656 /nfs/dbraw/zinc/38/36/56/554383656.db2.gz VLLHOXPXEXVYNM-RUZDIDTESA-N 0 0 509.989 6.497 50 30 KKEARN N#Cc1c(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccc(F)cc2)sc2c1CCCC2 ZINC000100416317 554383682 /nfs/dbraw/zinc/38/36/82/554383682.db2.gz NTGSHHAAYMNWPV-KRUMMXJUSA-N 0 0 522.399 6.631 50 30 KKEARN C=CCCc1ccc(C#N)c(SCc2c(C(=O)OCC)c3cc(O)c(Br)cc3n2C)n1 ZINC000059367509 554393271 /nfs/dbraw/zinc/39/32/71/554393271.db2.gz SLNUCRJKNHTQFB-UHFFFAOYSA-N 0 0 500.418 5.501 50 30 KKEARN CCCCCCCCCCCCCCCc1c(N)c(=O)n(-c2ccc(NC(=O)CCC(=O)OC)cc2)n1C ZINC000100442545 554393654 /nfs/dbraw/zinc/39/36/54/554393654.db2.gz DKCJQRFZALDSMF-UHFFFAOYSA-N 0 0 528.738 6.284 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)s2)cc1 ZINC000059524791 554405845 /nfs/dbraw/zinc/40/58/45/554405845.db2.gz QPLLWORRGGHJLV-PRAQEBQASA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(C)ccc1C ZINC000059524779 554405861 /nfs/dbraw/zinc/40/58/61/554405861.db2.gz CVMVXFNZQNBTEN-HEIROHQZSA-N 0 0 552.671 6.330 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000059530787 554406674 /nfs/dbraw/zinc/40/66/74/554406674.db2.gz WFMSBANRVRRATJ-UHFFFAOYSA-N 0 0 521.339 6.643 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccc(Br)cc2)cc1 ZINC000059528110 554406778 /nfs/dbraw/zinc/40/67/78/554406778.db2.gz DMBAIIUHLKDYNT-QHCPKHFHSA-N 0 0 577.500 5.763 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000059530946 554406844 /nfs/dbraw/zinc/40/68/44/554406844.db2.gz VVZVTUFQQOWVOB-CHJDUVSTSA-N 0 0 543.063 6.666 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000059595935 554408247 /nfs/dbraw/zinc/40/82/47/554408247.db2.gz OYOGYIPDHKETCV-MKGJDZFWSA-N 0 0 539.628 5.942 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000059595939 554408280 /nfs/dbraw/zinc/40/82/80/554408280.db2.gz OYOGYIPDHKETCV-ISTJGCCRSA-N 0 0 539.628 5.942 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000059595930 554408273 /nfs/dbraw/zinc/40/82/73/554408273.db2.gz MCWDVWIPHJOPBP-HSZRJFAPSA-N 0 0 527.415 5.169 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(Br)c1O ZINC000059596060 554408566 /nfs/dbraw/zinc/40/85/66/554408566.db2.gz GCONIFSZUBVXGN-OWWOZPERSA-N 0 0 586.454 5.386 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(Br)c1O ZINC000059596053 554408607 /nfs/dbraw/zinc/40/86/07/554408607.db2.gz GCONIFSZUBVXGN-ZZTRNUCDSA-N 0 0 586.454 5.386 50 30 KKEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000059608189 554410773 /nfs/dbraw/zinc/41/07/73/554410773.db2.gz YIAQPRQROONGDS-UHFFFAOYSA-N 0 0 561.520 5.244 50 30 KKEARN Cc1cc(C)cc(C(C(=O)N(O)[C@@H]2CCCC[C@H]2N(O)C(=O)C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 ZINC000100532471 554410832 /nfs/dbraw/zinc/41/08/32/554410832.db2.gz UXJIDQVUTGVBNI-XPSQVAKYSA-N 0 0 646.872 8.865 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000100532059 554410845 /nfs/dbraw/zinc/41/08/45/554410845.db2.gz VFIAGZFUJFJECK-QHCPKHFHSA-N 0 0 527.415 5.169 50 30 KKEARN C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000059612651 554412773 /nfs/dbraw/zinc/41/27/73/554412773.db2.gz KNDSCBPVTPVCNN-UHFFFAOYSA-N 0 0 532.497 5.598 50 30 KKEARN COc1ccc(Nc2nc(=NN=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)nc(NCc3ccco3)[nH]2)cc1 ZINC000100547826 554414353 /nfs/dbraw/zinc/41/43/53/554414353.db2.gz FXUFYEAMJLOBMC-MUFRIFMGSA-N 0 0 556.539 5.452 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000100550643 554414602 /nfs/dbraw/zinc/41/46/02/554414602.db2.gz NTRWZYNDDHPIKG-XFSFLGPDSA-N 0 0 592.648 5.819 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100551066 554414608 /nfs/dbraw/zinc/41/46/08/554414608.db2.gz RMQWLSHWSJRQQQ-UBOZLPQGSA-N 0 0 567.682 6.468 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100550475 554414636 /nfs/dbraw/zinc/41/46/36/554414636.db2.gz NASSTBAOOSEGAY-HVIPQOSHSA-N 0 0 537.656 6.207 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100551070 554414662 /nfs/dbraw/zinc/41/46/62/554414662.db2.gz RMQWLSHWSJRQQQ-OOOSNSGVSA-N 0 0 567.682 6.468 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100552486 554415098 /nfs/dbraw/zinc/41/50/98/554415098.db2.gz CBXJKTCYDLGVPJ-LGGPFLRQSA-N 0 0 532.011 6.463 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000100553103 554415329 /nfs/dbraw/zinc/41/53/29/554415329.db2.gz CSENIHBGMSCXSP-DNOBIOAJSA-N 0 0 584.463 5.128 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100553130 554415383 /nfs/dbraw/zinc/41/53/83/554415383.db2.gz PGYQQEYWYHVHOW-OIXWISFJSA-N 0 0 584.507 6.265 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100553581 554415398 /nfs/dbraw/zinc/41/53/98/554415398.db2.gz BEIFESRXCUTSIZ-ONOMSOESSA-N 0 0 622.943 6.964 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000100552719 554415426 /nfs/dbraw/zinc/41/54/26/554415426.db2.gz GPOALINDVRBIKG-GTYOFVGBSA-N 0 0 539.628 5.817 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000100554272 554415777 /nfs/dbraw/zinc/41/57/77/554415777.db2.gz KOOMBKMFZBOPKG-LYZGTLIUSA-N 0 0 540.125 6.785 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100554392 554415855 /nfs/dbraw/zinc/41/58/55/554415855.db2.gz OAKSUYZJRUMOEN-ZOYWYXQUSA-N 0 0 556.102 7.275 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100555434 554416014 /nfs/dbraw/zinc/41/60/14/554416014.db2.gz UXDYYOUDMJICQL-HZPZFAMDSA-N 0 0 584.507 6.178 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000100554446 554416106 /nfs/dbraw/zinc/41/61/06/554416106.db2.gz OSYLXJNWFDIIDE-SLGOVJDISA-N 0 0 539.628 5.688 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557295 554416560 /nfs/dbraw/zinc/41/65/60/554416560.db2.gz VJUKUZJRVPGNJL-XGCWNURASA-N 0 0 540.443 6.570 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100557273 554416669 /nfs/dbraw/zinc/41/66/69/554416669.db2.gz HIZAMXNIMXASKP-NEKDWFFYSA-N 0 0 528.446 6.554 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557278 554416737 /nfs/dbraw/zinc/41/67/37/554416737.db2.gz LIBSZQHKIMAKRV-MUAVYFROSA-N 0 0 543.019 6.396 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557767 554416889 /nfs/dbraw/zinc/41/68/89/554416889.db2.gz DFVVEUITJOKMGC-NFQMXDRXSA-N 0 0 554.912 7.340 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559841 554417537 /nfs/dbraw/zinc/41/75/37/554417537.db2.gz GVQKZXPLGSCPKI-JRPXNJEYSA-N 0 0 608.518 7.082 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000100559258 554417565 /nfs/dbraw/zinc/41/75/65/554417565.db2.gz CHOIIYMVGMMRQX-MUAVYFROSA-N 0 0 558.472 6.563 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559900 554417811 /nfs/dbraw/zinc/41/78/11/554417811.db2.gz BBFZLKMXJVFFLI-GDJIYFAZSA-N 0 0 570.513 7.335 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100559861 554417834 /nfs/dbraw/zinc/41/78/34/554417834.db2.gz RWVLEFFZKFVDDP-KCWXNJEJSA-N 0 0 536.068 6.595 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100562441 554418752 /nfs/dbraw/zinc/41/87/52/554418752.db2.gz LQNXCHSXPRFQIS-QYBDOPJKSA-N 0 0 588.926 6.768 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000100572038 554422129 /nfs/dbraw/zinc/42/21/29/554422129.db2.gz LZLPVLHJCAXHIX-DBLACVQGSA-N 0 0 615.726 7.258 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100574761 554422463 /nfs/dbraw/zinc/42/24/63/554422463.db2.gz OEKHYMITKWDPSF-PPHZAIPVSA-N 0 0 566.492 6.401 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100574726 554422480 /nfs/dbraw/zinc/42/24/80/554422480.db2.gz URTYCWZEHRLZDX-DCFHFQCYSA-N 0 0 570.480 5.408 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100574837 554422644 /nfs/dbraw/zinc/42/26/44/554422644.db2.gz UHHNMSBZGDALBH-CRICUBBOSA-N 0 0 534.867 6.588 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100574833 554422799 /nfs/dbraw/zinc/42/27/99/554422799.db2.gz ISIFQGNQYPHJJI-OLILMLBXSA-N 0 0 610.545 6.800 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100575950 554423438 /nfs/dbraw/zinc/42/34/38/554423438.db2.gz MFNKFIPQRKPHSU-FOPBOCKXSA-N 0 0 563.694 7.122 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100576031 554423658 /nfs/dbraw/zinc/42/36/58/554423658.db2.gz XUIBTJBRFNDSGY-IPBJYNAHSA-N 0 0 588.100 6.600 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100581877 554425017 /nfs/dbraw/zinc/42/50/17/554425017.db2.gz KUGJLGNERNTKLS-GKVSMKOHSA-N 0 0 606.966 6.475 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100581506 554425021 /nfs/dbraw/zinc/42/50/21/554425021.db2.gz MMHAGLMXNORVFF-DCFHFQCYSA-N 0 0 542.097 6.015 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100581499 554425023 /nfs/dbraw/zinc/42/50/23/554425023.db2.gz MMHAGLMXNORVFF-NFQMXDRXSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100583191 554425264 /nfs/dbraw/zinc/42/52/64/554425264.db2.gz NBGFRSMHANGMDW-UGDMGKLASA-N 0 0 604.099 6.437 50 30 KKEARN Cc1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000059706052 554425674 /nfs/dbraw/zinc/42/56/74/554425674.db2.gz QECVUPNLZJMNQY-UHFFFAOYSA-N 0 0 518.258 5.668 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059706242 554425952 /nfs/dbraw/zinc/42/59/52/554425952.db2.gz QILMNIQOKVFMDD-OOXUFLSTSA-N 0 0 611.691 6.003 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000059706349 554425963 /nfs/dbraw/zinc/42/59/63/554425963.db2.gz ULPLNEXWCWLBSI-AFJIDDCJSA-N 0 0 566.094 6.690 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000059735492 554427331 /nfs/dbraw/zinc/42/73/31/554427331.db2.gz OOPIBKKGCVISMZ-FLASPHMUSA-N 0 0 598.696 6.120 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100588137 554427391 /nfs/dbraw/zinc/42/73/91/554427391.db2.gz DVXQFFXGHIFFFJ-WGDIFIGCSA-N 0 0 586.479 5.495 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100588135 554427467 /nfs/dbraw/zinc/42/74/67/554427467.db2.gz DVXQFFXGHIFFFJ-QUGAMOGWSA-N 0 0 586.479 5.495 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100588132 554427472 /nfs/dbraw/zinc/42/74/72/554427472.db2.gz DVXQFFXGHIFFFJ-MRDQGFSESA-N 0 0 586.479 5.495 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccsc2)cc1 ZINC000059736108 554427653 /nfs/dbraw/zinc/42/76/53/554427653.db2.gz OXODWFAYXKHAFD-MMTVBGGISA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000100593194 554429218 /nfs/dbraw/zinc/42/92/18/554429218.db2.gz IZQMHXCMOYJBFD-DBLACVQGSA-N 0 0 615.726 7.388 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000100593439 554429459 /nfs/dbraw/zinc/42/94/59/554429459.db2.gz YEBULHLZEGWWME-VGHVDPOBSA-N 0 0 584.507 6.178 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000100593535 554429761 /nfs/dbraw/zinc/42/97/61/554429761.db2.gz ONCKKXXNIVHZGE-VHRGECNRSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000100597701 554430380 /nfs/dbraw/zinc/43/03/80/554430380.db2.gz NNBCQVHVLQXNRT-WBBHLRKXSA-N 0 0 539.628 5.557 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597717 554430423 /nfs/dbraw/zinc/43/04/23/554430423.db2.gz FYRVBYRBETUEAO-QYTMHSNXSA-N 0 0 625.718 6.175 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100600142 554431540 /nfs/dbraw/zinc/43/15/40/554431540.db2.gz UNBPJAWFAIOQTI-XDBZFTIUSA-N 0 0 600.506 5.798 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100600106 554431589 /nfs/dbraw/zinc/43/15/89/554431589.db2.gz DWEAFXJQMMECRF-DCFHFQCYSA-N 0 0 575.649 6.381 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000100600170 554431860 /nfs/dbraw/zinc/43/18/60/554431860.db2.gz ZJSWPAMPXYYJIR-KWMCUTETSA-N 0 0 600.506 5.797 50 30 KKEARN CCCCCCCCOc1ccc(CNn2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100642953 554436616 /nfs/dbraw/zinc/43/66/16/554436616.db2.gz VHLHOTAUMSHVGU-UHFFFAOYSA-N 0 0 545.680 6.572 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100650292 554437135 /nfs/dbraw/zinc/43/71/35/554437135.db2.gz HCNCCZSHZRIWIN-RUZDIDTESA-N 0 0 537.502 5.933 50 30 KKEARN C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)CCCCCCCCCCCCCCCCC ZINC000100651213 554437383 /nfs/dbraw/zinc/43/73/83/554437383.db2.gz UXRNWUYCCQFHIH-UHFFFAOYSA-N 0 0 510.712 6.228 50 30 KKEARN O=C(C(=O)[C@H](c1ccccc1)[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000100660301 554438493 /nfs/dbraw/zinc/43/84/93/554438493.db2.gz GJTHMHRZFIJUGA-RRKBCBNCSA-N 0 0 532.639 7.816 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100664934 554440005 /nfs/dbraw/zinc/44/00/05/554440005.db2.gz UQPUUONRDXLXHV-HSZRJFAPSA-N 0 0 552.494 6.310 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 ZINC000100670076 554440977 /nfs/dbraw/zinc/44/09/77/554440977.db2.gz SUXCFFVYQFMDCP-LJAQVGFWSA-N 0 0 602.529 6.674 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669937 554441024 /nfs/dbraw/zinc/44/10/24/554441024.db2.gz CMHWAJYPIONBKQ-QFIPXVFZSA-N 0 0 523.382 7.255 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100670311 554441281 /nfs/dbraw/zinc/44/12/81/554441281.db2.gz STPXDHXLWFLOPK-NRFANRHFSA-N 0 0 535.269 6.394 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672274 554441874 /nfs/dbraw/zinc/44/18/74/554441874.db2.gz BKQUJOIEEBCSNT-PMERELPUSA-N 0 0 554.643 5.263 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100672412 554441894 /nfs/dbraw/zinc/44/18/94/554441894.db2.gz SBIRVLAWUDOJPJ-HKBQPEDESA-N 0 0 568.670 5.653 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000100672644 554442036 /nfs/dbraw/zinc/44/20/36/554442036.db2.gz SZAGTLKGCFOYRK-SSEXGKCCSA-N 0 0 637.129 5.245 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100673759 554442230 /nfs/dbraw/zinc/44/22/30/554442230.db2.gz ARIUCUFFUYYIJK-DEOSSOPVSA-N 0 0 544.570 5.974 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674626 554442853 /nfs/dbraw/zinc/44/28/53/554442853.db2.gz PLSCTKJFHNSZEB-UUWRZZSWSA-N 0 0 607.703 6.776 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100674266 554442934 /nfs/dbraw/zinc/44/29/34/554442934.db2.gz JEFJLNZUTHDFDW-FQEVSTJZSA-N 0 0 530.850 5.478 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000100674958 554443323 /nfs/dbraw/zinc/44/33/23/554443323.db2.gz NCHIRTZQVFQWBK-GDLZYMKVSA-N 0 0 571.605 5.287 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681186 554447539 /nfs/dbraw/zinc/44/75/39/554447539.db2.gz SLAPORDPOPICCN-PQHLKRTFSA-N 0 0 541.644 6.202 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000100681178 554447555 /nfs/dbraw/zinc/44/75/55/554447555.db2.gz ONQGCYXYUYTZLE-IRPSRAIASA-N 0 0 551.680 6.200 50 30 KKEARN COc1ccc(/C=N/Nc2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)cc1 ZINC000100682960 554448103 /nfs/dbraw/zinc/44/81/03/554448103.db2.gz ABVNJIRCCBNELE-NUGSKGIGSA-N 0 0 535.217 5.896 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000059844601 554448105 /nfs/dbraw/zinc/44/81/05/554448105.db2.gz UPLMTDUXUSLCSR-QLXKLKPCSA-N 0 0 544.431 5.663 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100689821 554449566 /nfs/dbraw/zinc/44/95/66/554449566.db2.gz MNNOWJDFXPBZBS-AVRWGWEMSA-N 0 0 572.521 5.821 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100690743 554449853 /nfs/dbraw/zinc/44/98/53/554449853.db2.gz VONVIVQCDRGQAX-DJUQAAIZSA-N 0 0 579.715 5.677 50 30 KKEARN CCCCCCCCCCCCCC[C@H](C(=O)[O-])[n+]1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000100698149 554451330 /nfs/dbraw/zinc/45/13/30/554451330.db2.gz RJQIZRZNXCEPBH-PGUFJCEWSA-O 0 0 584.821 9.321 50 30 KKEARN FC(F)(F)c1ccc(C(=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000100700443 554451340 /nfs/dbraw/zinc/45/13/40/554451340.db2.gz JSHSYPICTHPXIG-UHFFFAOYSA-N 0 0 559.553 9.554 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(C[C@@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000100699956 554451392 /nfs/dbraw/zinc/45/13/92/554451392.db2.gz ZNUJGYAWVAHUHN-SSEXGKCCSA-N 0 0 537.789 8.154 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000100701566 554451691 /nfs/dbraw/zinc/45/16/91/554451691.db2.gz YSTCJTGQLZQQJY-NRFANRHFSA-N 0 0 634.883 8.091 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000100701567 554451693 /nfs/dbraw/zinc/45/16/93/554451693.db2.gz PYPWVJZXJKEMJK-JOCHJYFZSA-N 0 0 539.013 7.495 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100701554 554451708 /nfs/dbraw/zinc/45/17/08/554451708.db2.gz RKTPESRLLUFWJE-JOCHJYFZSA-N 0 0 523.014 7.795 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000100701588 554451978 /nfs/dbraw/zinc/45/19/78/554451978.db2.gz UCIFRBNQTXPDSD-QFIPXVFZSA-N 0 0 539.013 7.495 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000100701600 554451992 /nfs/dbraw/zinc/45/19/92/554451992.db2.gz QUOSMCFHZJLUNC-OAQYLSRUSA-N 0 0 543.432 8.140 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000100701574 554452019 /nfs/dbraw/zinc/45/20/19/554452019.db2.gz FSFLGJKHCZBOEB-OAQYLSRUSA-N 0 0 577.877 8.793 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000100705444 554452773 /nfs/dbraw/zinc/45/27/73/554452773.db2.gz MPELJBNYRLUICT-FWUCURJTSA-N 0 0 545.676 6.340 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl ZINC000100703512 554452796 /nfs/dbraw/zinc/45/27/96/554452796.db2.gz RXQVEHUUMPUQSE-IBGZPJMESA-N 0 0 527.994 5.990 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000100706015 554453042 /nfs/dbraw/zinc/45/30/42/554453042.db2.gz LJYAMDWDMJNYGM-UVDDSOTQSA-N 0 0 545.676 6.340 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000100706018 554453047 /nfs/dbraw/zinc/45/30/47/554453047.db2.gz LJYAMDWDMJNYGM-JPZYQRIQSA-N 0 0 545.676 6.340 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100726586 554457159 /nfs/dbraw/zinc/45/71/59/554457159.db2.gz QWKSOANVVPEDQJ-QHCPKHFHSA-N 0 0 537.041 8.267 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100726793 554457163 /nfs/dbraw/zinc/45/71/63/554457163.db2.gz LFCDYLMWJPOEGD-HSZRJFAPSA-N 0 0 605.931 9.574 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000100726579 554457193 /nfs/dbraw/zinc/45/71/93/554457193.db2.gz VEUMPFFRJZWXQD-RUZDIDTESA-N 0 0 594.093 8.225 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000100726799 554457516 /nfs/dbraw/zinc/45/75/16/554457516.db2.gz HJGPVEKGBCCASP-HSZRJFAPSA-N 0 0 615.937 9.029 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728424 554458523 /nfs/dbraw/zinc/45/85/23/554458523.db2.gz WOFXBVOAKRZCRZ-MUVVOIGYSA-N 0 0 533.118 6.651 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728571 554458762 /nfs/dbraw/zinc/45/87/62/554458762.db2.gz GOTUGELRNGXUFK-KSPMJJNASA-N 0 0 549.117 6.351 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@](=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000100728581 554458805 /nfs/dbraw/zinc/45/88/05/554458805.db2.gz URCWKIBFXYDUPU-IWIKFHKFSA-N 0 0 556.753 6.854 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732460 554460210 /nfs/dbraw/zinc/46/02/10/554460210.db2.gz MUZUFURXRCREBI-BUUDZMLXSA-N 0 0 568.464 5.172 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736794 554461312 /nfs/dbraw/zinc/46/13/12/554461312.db2.gz VRFYXRFGGZFLFU-DEOSSOPVSA-N 0 0 562.644 5.683 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(CC)cc1)c1ccccc21 ZINC000100738842 554462165 /nfs/dbraw/zinc/46/21/65/554462165.db2.gz XBAIEZOHLXLXTR-UHFFFAOYSA-N 0 0 507.652 7.385 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1C ZINC000100765851 554469886 /nfs/dbraw/zinc/46/98/86/554469886.db2.gz IDAYUKCHZNLAKM-RRAHZORUSA-N 0 0 537.710 6.856 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S ZINC000100792763 554473306 /nfs/dbraw/zinc/47/33/06/554473306.db2.gz BLGORGXDBIUPDO-RRAHZORUSA-N 0 0 547.790 8.197 50 30 KKEARN CCCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1OC ZINC000100814998 554476180 /nfs/dbraw/zinc/47/61/80/554476180.db2.gz VRLAZNVOXSQFKU-SEPQHQSPSA-N 0 0 595.581 8.875 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100832919 554482915 /nfs/dbraw/zinc/48/29/15/554482915.db2.gz XUJVSNHIDMAKJU-IPCXHYSGSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C(=O)OCC)cc3)C2=O)SC1=S ZINC000100836801 554483750 /nfs/dbraw/zinc/48/37/50/554483750.db2.gz NDBAJOUAXISRFK-QPLCGJKRSA-N 0 0 579.744 5.781 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100838520 554486253 /nfs/dbraw/zinc/48/62/53/554486253.db2.gz DYONZFCSIJQFNL-OFWBYEQRSA-N 0 0 602.225 8.943 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)SC1=S ZINC000100839757 554487680 /nfs/dbraw/zinc/48/76/80/554487680.db2.gz RCWBDOPRKYFKCF-HFTWOUSFSA-N 0 0 547.790 8.198 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)SC1=S ZINC000100839775 554487943 /nfs/dbraw/zinc/48/79/43/554487943.db2.gz FCVUIJUUYFWWOH-OOAXWGSJSA-N 0 0 533.763 7.808 50 30 KKEARN Cc1cc(C)c(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1 ZINC000100841832 554489499 /nfs/dbraw/zinc/48/94/99/554489499.db2.gz YUYDDSCWCJCBFS-XDHTVYJESA-N 0 0 520.676 5.463 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)SC1=S ZINC000100871579 554499633 /nfs/dbraw/zinc/49/96/33/554499633.db2.gz PQHXMTAOEMSKCC-QPLCGJKRSA-N 0 0 535.735 5.324 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000100872905 554501950 /nfs/dbraw/zinc/50/19/50/554501950.db2.gz LWZWMLZLNXXPLS-ZIADKAODSA-N 0 0 577.816 7.473 50 30 KKEARN COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CC(C)(C)N1C)c(C)n2Cc1ccccc1 ZINC000062001527 554506413 /nfs/dbraw/zinc/50/64/13/554506413.db2.gz OLBJQACFQQUVCD-UHFFFAOYSA-N 0 0 524.661 6.514 50 30 biogenic KKEARN CCCCCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000100893801 554513267 /nfs/dbraw/zinc/51/32/67/554513267.db2.gz CNJQPMDVVKQWKL-HAVVHWLPSA-N 0 0 542.499 5.876 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000100897254 554514128 /nfs/dbraw/zinc/51/41/28/554514128.db2.gz FTQVTBMLOAFGBN-PLKHCQFOSA-N 0 0 526.772 6.047 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000100899358 554514405 /nfs/dbraw/zinc/51/44/05/554514405.db2.gz XMLPOWZYZSHASR-CXHUQDDXSA-N 0 0 512.745 5.657 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2OCCOc2ccc(C3CCCCC3)cc2)cc1 ZINC000100903324 554515332 /nfs/dbraw/zinc/51/53/32/554515332.db2.gz IGYQWTLMZMGRDH-VUTHCHCSSA-N 0 0 538.442 7.309 50 30 KKEARN C=CCc1cccc([C@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1O ZINC000064819919 554517692 /nfs/dbraw/zinc/51/76/92/554517692.db2.gz LWPSENGZOWUYCU-AREMUKBSSA-N 0 0 507.384 5.701 50 30 KKEARN FC(F)(F)c1cnc(C(=CNc2ccc(Cl)cc2Cl)/C=N/OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000100911759 554517892 /nfs/dbraw/zinc/51/78/92/554517892.db2.gz BKPVHGKMUOCUDD-JJZWCGOWSA-N 0 0 569.625 9.023 50 30 KKEARN O=C(/C(=N/Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000100917932 554520263 /nfs/dbraw/zinc/52/02/63/554520263.db2.gz MGLKLLCVVNNSNT-QLYXXIJNSA-N 0 0 524.356 5.808 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]1c1ccc(SC)cc1 ZINC000100918166 554520492 /nfs/dbraw/zinc/52/04/92/554520492.db2.gz AAGBCOMBXJXFMS-HMXCVIKNSA-N 0 0 530.524 5.116 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000100923826 554523146 /nfs/dbraw/zinc/52/31/46/554523146.db2.gz PZMBWQUSAQTLQF-JWGURIENSA-N 0 0 528.472 5.486 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S ZINC000100934107 554528522 /nfs/dbraw/zinc/52/85/22/554528522.db2.gz KTXRTIBAVZVVPT-PYCFMQQDSA-N 0 0 507.681 6.357 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000100935087 554529182 /nfs/dbraw/zinc/52/91/82/554529182.db2.gz ZBZAJDMUKZNNDS-UHFFFAOYSA-N 0 0 537.623 9.997 50 30 KKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1I ZINC000100936031 554529676 /nfs/dbraw/zinc/52/96/76/554529676.db2.gz JGAMQQCFMLHXMB-AFUMVMLFSA-N 0 0 543.386 5.965 50 30 KKEARN C/C(=N\OC(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1 ZINC000100943252 554533149 /nfs/dbraw/zinc/53/31/49/554533149.db2.gz JOTRMBBWAXOMKE-AABVJFSESA-N 0 0 589.435 7.754 50 30 KKEARN C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000067902768 554535721 /nfs/dbraw/zinc/53/57/21/554535721.db2.gz JDUWHZOLEDOQSR-JKPSMKLGSA-N 0 0 634.213 5.662 50 30 in-vitro KKEARN C=CCOc1cc(N(CC)CC)ccc1/C=C1/N=C(c2ccc(NC(=O)c3cncc(Br)c3)cc2)OC1=O ZINC000100948018 554536477 /nfs/dbraw/zinc/53/64/77/554536477.db2.gz ORJOHNFJBLMNAV-MFKUBSTISA-N 0 0 575.463 5.852 50 30 KKEARN C[C@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccc(F)cc1 ZINC000100952971 554538090 /nfs/dbraw/zinc/53/80/90/554538090.db2.gz FKHJBOOVLXWMEZ-NSHDSACASA-N 0 0 540.251 5.475 50 30 KKEARN N#Cc1c2sc(NC(=O)C3CC3)nc2ccc1Oc1ccc(F)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000068208189 554538587 /nfs/dbraw/zinc/53/85/87/554538587.db2.gz OJFKUJDRGJSAQB-UHFFFAOYSA-N 0 0 554.525 6.648 50 30 in-vitro KKEARN O=C(Nn1cnnc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068562757 554538673 /nfs/dbraw/zinc/53/86/73/554538673.db2.gz WDNPVTGTOXYABY-UHFFFAOYSA-N 0 0 530.138 5.007 50 30 KKEARN O=C(Nc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068562745 554538720 /nfs/dbraw/zinc/53/87/20/554538720.db2.gz HMGPYJNHROTQMF-UHFFFAOYSA-N 0 0 540.173 6.030 50 30 KKEARN Brc1ccccc1CN=Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000068572919 554540096 /nfs/dbraw/zinc/54/00/96/554540096.db2.gz CHCDXQCAPZUEDT-TURZUDJPSA-N 0 0 530.430 5.387 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000100985117 554548424 /nfs/dbraw/zinc/54/84/24/554548424.db2.gz JEWPMPCOAGIWGN-WGOQTCKBSA-N 0 0 529.517 5.128 50 30 KKEARN CCCCCCCCCCCCSc1cc(SCCCCCCCCCCCC)c([N+](=O)[O-])cc1C#N ZINC000101014832 554559034 /nfs/dbraw/zinc/55/90/34/554559034.db2.gz HTJJFKVIGYYALJ-UHFFFAOYSA-N 0 0 548.903 11.493 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@@H]2c3ccc(cc3)CCc3ccc(cc3)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101015280 554560059 /nfs/dbraw/zinc/56/00/59/554560059.db2.gz YWGAOZNWRZXSJO-RNPORBBMSA-N 0 0 548.682 5.995 50 30 KKEARN CCCCCCCCOc1ccc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)cc1 ZINC000101016051 554560125 /nfs/dbraw/zinc/56/01/25/554560125.db2.gz RXORPLKKXKWWEP-JCMHNJIXSA-N 0 0 511.009 8.181 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000101022625 554561974 /nfs/dbraw/zinc/56/19/74/554561974.db2.gz LDXALNGCTWLDHS-INIZCTEOSA-N 0 0 507.742 6.843 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2OCC)c(OC)c1 ZINC000101028213 554564338 /nfs/dbraw/zinc/56/43/38/554564338.db2.gz WBXUDEXIDOSQKZ-TURZUDJPSA-N 0 0 528.630 5.051 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000101042147 554567801 /nfs/dbraw/zinc/56/78/01/554567801.db2.gz BYZNPWUIXQUXHT-WBVCGYLZSA-N 0 0 536.723 5.402 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069784 554574123 /nfs/dbraw/zinc/57/41/23/554574123.db2.gz QVOMZPVTXSFSIX-HOGKFDNTSA-N 0 0 519.420 6.302 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccccc4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000101071480 554575729 /nfs/dbraw/zinc/57/57/29/554575729.db2.gz RKRSTMPFUYMMNS-QFIPXVFZSA-N 0 0 523.456 5.674 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000101075697 554577258 /nfs/dbraw/zinc/57/72/58/554577258.db2.gz FRIDNWADBFQFNF-RIHQVDFKSA-N 0 0 604.574 7.763 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C(=O)N2CC(C)C)cc1 ZINC000101080969 554578760 /nfs/dbraw/zinc/57/87/60/554578760.db2.gz ZADJQSQHNNZXCM-XVHVQTHLSA-N 0 0 541.500 7.841 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000101101294 554638812 /nfs/dbraw/zinc/63/88/12/554638812.db2.gz AVCBUPMCZCVYTC-TXTDGAROSA-N 0 0 569.455 6.353 50 30 KKEARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101126047 554645150 /nfs/dbraw/zinc/64/51/50/554645150.db2.gz KPONMRUJQNUCBT-SDHSZQHLSA-N 0 0 550.036 5.220 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000101125715 554645189 /nfs/dbraw/zinc/64/51/89/554645189.db2.gz WXFRTQLZBGAHCD-DNVJHFABSA-N 0 0 524.429 5.856 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 ZINC000101134327 554650956 /nfs/dbraw/zinc/65/09/56/554650956.db2.gz SHFSMXFAGLLVIG-RGNZGAGFSA-N 0 0 527.584 6.513 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H]1C(CO)=C[C@H]2CCCC[C@@]3(C=C(C)[C@H](O)[C@@]13O)C2=O ZINC000101141512 554653510 /nfs/dbraw/zinc/65/35/10/554653510.db2.gz BRZNKYDOMKQCRL-AXIWINRRSA-N 0 0 532.762 6.109 50 30 KKEARN Cc1ccc(S(=O)(=O)OC[C@@H](OCc2ccccc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000101141960 554653723 /nfs/dbraw/zinc/65/37/23/554653723.db2.gz HBMFCIXHYWBPOV-ROJLCIKYSA-N 0 0 610.750 5.585 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccccc1)c1ccc(C)cc1 ZINC000101150501 554657310 /nfs/dbraw/zinc/65/73/10/554657310.db2.gz RIRLEANQNISYLI-ODFZCHCISA-N 0 0 541.615 6.154 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101155856 554658544 /nfs/dbraw/zinc/65/85/44/554658544.db2.gz WOWKTXBMVQRHOU-VYVLKNFJSA-N 0 0 527.584 6.513 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000101156814 554658760 /nfs/dbraw/zinc/65/87/60/554658760.db2.gz BQVYVLQDZBLVLO-PVAZPRTOSA-N 0 0 590.676 6.427 50 30 KKEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccc(Br)c1 ZINC000101162884 554660542 /nfs/dbraw/zinc/66/05/42/554660542.db2.gz UTUSYGRKNZGBOQ-NRFANRHFSA-N 0 0 566.290 5.227 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)c3ccccc3)cc2)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000101172511 554661971 /nfs/dbraw/zinc/66/19/71/554661971.db2.gz JFQRAKRBRSBAJT-UHFFFAOYSA-N 0 0 572.759 8.548 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1OC ZINC000101175538 554663479 /nfs/dbraw/zinc/66/34/79/554663479.db2.gz ZHYKNRPGSZDREV-ULFANGQISA-N 0 0 529.578 5.135 50 30 KKEARN CCCCCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000101176266 554664165 /nfs/dbraw/zinc/66/41/65/554664165.db2.gz AFIPFSCVOUPDNE-UHFFFAOYSA-N 0 0 566.718 5.977 50 30 KKEARN CCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)C[C@H](c2c(C)cc(C)cc2C)[C@@H](C(=O)OC)C1=O ZINC000101194086 554671532 /nfs/dbraw/zinc/67/15/32/554671532.db2.gz QRECMYJZBSYCJO-DQZYNEAXSA-N 0 0 535.644 6.009 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2C)cc1OC ZINC000101194636 554671800 /nfs/dbraw/zinc/67/18/00/554671800.db2.gz FAJGJBUIKWZWIV-ZOYWYXQUSA-N 0 0 537.656 6.160 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000101194668 554671841 /nfs/dbraw/zinc/67/18/41/554671841.db2.gz SKEYCVBZIHKINN-CHJDUVSTSA-N 0 0 549.664 5.816 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(C)c2)cc1OC ZINC000101194684 554671992 /nfs/dbraw/zinc/67/19/92/554671992.db2.gz CUOKXDFEBQDKHH-XYFQYJLHSA-N 0 0 537.656 6.160 50 30 KKEARN C=CCc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 ZINC000101200996 554672749 /nfs/dbraw/zinc/67/27/49/554672749.db2.gz SDDZMZQBGNGDJK-JEHUDBGOSA-N 0 0 532.629 5.511 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204447 554674339 /nfs/dbraw/zinc/67/43/39/554674339.db2.gz YXQYFFBBVLTWIJ-ACSYHNTCSA-N 0 0 628.560 6.579 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000101204712 554674764 /nfs/dbraw/zinc/67/47/64/554674764.db2.gz FPQGSJRLDYYUCE-MYUZEXMDSA-N 0 0 616.505 5.122 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101204791 554674941 /nfs/dbraw/zinc/67/49/41/554674941.db2.gz DVCFZRYMEBUMPV-UBOZLPQGSA-N 0 0 567.682 6.598 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204824 554674942 /nfs/dbraw/zinc/67/49/42/554674942.db2.gz QCNTUMCXBXJXGV-JQJBXXCASA-N 0 0 567.682 6.598 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209556 554678268 /nfs/dbraw/zinc/67/82/68/554678268.db2.gz PNMVYGWWWPOROR-UHFFFAOYSA-N 0 0 523.395 6.252 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1F ZINC000101210517 554679348 /nfs/dbraw/zinc/67/93/48/554679348.db2.gz QPUPSFIVDMTKKH-UHFFFAOYSA-N 0 0 522.502 5.964 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101212651 554679808 /nfs/dbraw/zinc/67/98/08/554679808.db2.gz YVGIOPIELLYDLK-OOXUFLSTSA-N 0 0 613.776 6.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212763 554680026 /nfs/dbraw/zinc/68/00/26/554680026.db2.gz BHBMIDXCFSGASY-JCVFDAPQSA-N 0 0 593.720 7.130 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212959 554680187 /nfs/dbraw/zinc/68/01/87/554680187.db2.gz DDCIXWPFRNXVHM-QRRWFCJLSA-N 0 0 581.709 6.988 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101212913 554680192 /nfs/dbraw/zinc/68/01/92/554680192.db2.gz GHOGDBFUNLVHED-SWAFVMGKSA-N 0 0 581.709 6.986 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101212988 554680220 /nfs/dbraw/zinc/68/02/20/554680220.db2.gz GXJLDZQVJQVCEJ-INJOXJOKSA-N 0 0 583.681 5.956 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101218063 554685062 /nfs/dbraw/zinc/68/50/62/554685062.db2.gz VFLPXDZBAUMZLZ-ACSYHNTCSA-N 0 0 628.560 6.434 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218294 554685237 /nfs/dbraw/zinc/68/52/37/554685237.db2.gz ZWKGRFQRENBPSE-BFXRBFBZSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218128 554685280 /nfs/dbraw/zinc/68/52/80/554685280.db2.gz SWPWLXJEZBNRKB-HGGZLQRRSA-N 0 0 607.747 7.520 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218462 554685496 /nfs/dbraw/zinc/68/54/96/554685496.db2.gz SGEOPJKFOPRWQM-VWLOTQADSA-N 0 0 545.126 5.400 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218570 554685625 /nfs/dbraw/zinc/68/56/25/554685625.db2.gz LDQOJCLLUWNLQB-IANOAQMISA-N 0 0 599.680 5.792 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101218646 554685959 /nfs/dbraw/zinc/68/59/59/554685959.db2.gz PJSZRQSGVXQJKF-UVMFRMCBSA-N 0 0 597.708 6.606 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220621 554686553 /nfs/dbraw/zinc/68/65/53/554686553.db2.gz ZFHOCKXJIOXHCX-UVMFRMCBSA-N 0 0 611.691 6.133 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220658 554686598 /nfs/dbraw/zinc/68/65/98/554686598.db2.gz YFLFUUPOQXPELU-YUDQIZAISA-N 0 0 577.599 6.828 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220743 554686845 /nfs/dbraw/zinc/68/68/45/554686845.db2.gz BAULUEPOCZVQCG-FWUCURJTSA-N 0 0 607.625 6.706 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000101220713 554686855 /nfs/dbraw/zinc/68/68/55/554686855.db2.gz DHVGPPQGROZCTC-GTYOFVGBSA-N 0 0 563.691 6.206 50 30 KKEARN C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCCC1)c1ccccc1 ZINC000101220859 554687098 /nfs/dbraw/zinc/68/70/98/554687098.db2.gz JHCHOZMTYHRZIN-UHFFFAOYSA-N 0 0 574.772 6.152 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220796 554687127 /nfs/dbraw/zinc/68/71/27/554687127.db2.gz GSCNDKAEGJUECQ-UDNBHOFDSA-N 0 0 575.702 6.349 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101228816 554689130 /nfs/dbraw/zinc/68/91/30/554689130.db2.gz GOIUZPWZXSPMHW-UHFFFAOYSA-N 0 0 530.613 5.357 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101228803 554689133 /nfs/dbraw/zinc/68/91/33/554689133.db2.gz LGKLMZHNUWXAAU-UHFFFAOYSA-N 0 0 565.058 6.011 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237936 554692361 /nfs/dbraw/zinc/69/23/61/554692361.db2.gz ZUEIVWVISBJUJP-RPLLCQBOSA-N 0 0 578.566 5.443 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237980 554692549 /nfs/dbraw/zinc/69/25/49/554692549.db2.gz BWOZVBGEWYUHRU-LSYYVWMOSA-N 0 0 590.602 5.313 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237984 554692577 /nfs/dbraw/zinc/69/25/77/554692577.db2.gz BWOZVBGEWYUHRU-LBNVMWSVSA-N 0 0 590.602 5.313 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCc3ccccc3C2)SC1=S ZINC000101238756 554692956 /nfs/dbraw/zinc/69/29/56/554692956.db2.gz LQVDKOPZEOXXOF-MOHJPFBDSA-N 0 0 532.735 5.737 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(OCCC(C)C)c(OC)c2)C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)C1 ZINC000101257775 554697060 /nfs/dbraw/zinc/69/70/60/554697060.db2.gz KOMQDBRPJKKEGI-CZYCKNNWSA-N 0 0 576.818 9.436 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277830 554704269 /nfs/dbraw/zinc/70/42/69/554704269.db2.gz QJBAOUZSMQYXTE-WGGXKBPPSA-N 0 0 608.716 6.870 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000101288078 554706546 /nfs/dbraw/zinc/70/65/46/554706546.db2.gz JVQCQWGHJKUPIF-MUUNZHRXSA-N 0 0 576.638 6.823 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1 ZINC000101288107 554706551 /nfs/dbraw/zinc/70/65/51/554706551.db2.gz LEPQQSJQAGMDNJ-GDLZYMKVSA-N 0 0 545.668 7.223 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000101288100 554706560 /nfs/dbraw/zinc/70/65/60/554706560.db2.gz MVOONPDFPULJSW-NDEPHWFRSA-N 0 0 566.086 7.568 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@H](c3ccccc3[N+](=O)[O-])C12 ZINC000101287927 554706580 /nfs/dbraw/zinc/70/65/80/554706580.db2.gz MXMZMNUPJVSHQT-MUUNZHRXSA-N 0 0 576.638 6.823 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000101288289 554706609 /nfs/dbraw/zinc/70/66/09/554706609.db2.gz KGCGRCQXGYZFHS-MOBKVPTQSA-N 0 0 518.591 5.128 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294235 554710827 /nfs/dbraw/zinc/71/08/27/554710827.db2.gz MPHZLDYCWXABLD-HTUFKCTLSA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294522 554711136 /nfs/dbraw/zinc/71/11/36/554711136.db2.gz DTUMBHBURWWHAN-ZHHPLPSFSA-N 0 0 502.617 6.111 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4c(C(=O)Nc5ccccc5)cnn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000101297859 554712519 /nfs/dbraw/zinc/71/25/19/554712519.db2.gz NXKKFKMPNQUNPN-SMSORMJASA-N 0 0 534.616 5.877 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310211 554717086 /nfs/dbraw/zinc/71/70/86/554717086.db2.gz CSDLTQKYWIWAJG-VXJPNWOUSA-N 0 0 525.601 5.595 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310231 554717266 /nfs/dbraw/zinc/71/72/66/554717266.db2.gz LCHFLHGLYGFMFJ-KVBNAJLESA-N 0 0 596.705 6.826 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310288 554717678 /nfs/dbraw/zinc/71/76/78/554717678.db2.gz CUWHZHXKQLWLAE-NYFCFKJUSA-N 0 0 598.677 6.218 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101310721 554718389 /nfs/dbraw/zinc/71/83/89/554718389.db2.gz QSKKQVVVTIYOEF-LJXVVYAUSA-N 0 0 537.967 5.701 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316572 554723628 /nfs/dbraw/zinc/72/36/28/554723628.db2.gz UYCHDWNIUWOMOU-XKNZNLGKSA-N 0 0 568.651 6.210 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316432 554723729 /nfs/dbraw/zinc/72/37/29/554723729.db2.gz FOVUMZIZTFEANM-NEMSTITPSA-N 0 0 572.639 5.309 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316573 554723827 /nfs/dbraw/zinc/72/38/27/554723827.db2.gz VGUJWRBRMFJYAD-UUALVTFQSA-N 0 0 570.623 5.657 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318683 554725980 /nfs/dbraw/zinc/72/59/80/554725980.db2.gz AWQGCAORDVFYKY-UOWMXVQPSA-N 0 0 552.630 6.233 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000101318859 554726218 /nfs/dbraw/zinc/72/62/18/554726218.db2.gz PYFVJVCUVRDFJE-UMKORLBGSA-N 0 0 566.657 6.542 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000101338100 554734622 /nfs/dbraw/zinc/73/46/22/554734622.db2.gz VUDJMPWFRUHZAV-MUUNZHRXSA-N 0 0 543.547 5.793 50 30 KKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N\c1ccc(Br)cc1 ZINC000101360540 554742245 /nfs/dbraw/zinc/74/22/45/554742245.db2.gz DTCVGHZWRJLJKT-SGEDCAFJSA-N 0 0 520.452 6.658 50 30 KKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367850 554744188 /nfs/dbraw/zinc/74/41/88/554744188.db2.gz NERBCQXQDJGVMC-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376343 554746424 /nfs/dbraw/zinc/74/64/24/554746424.db2.gz JHYDDFFBKPFXJT-JOCHJYFZSA-N 0 0 538.069 5.933 50 30 KKEARN Cc1ccc(-c2csc(N=NC(C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c3ccccc3)n2)cc1 ZINC000101384116 554749037 /nfs/dbraw/zinc/74/90/37/554749037.db2.gz WANQOYPRKNDZPX-BXAYRYQRSA-N 0 0 537.476 6.857 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1cc(Cl)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000101390063 554754095 /nfs/dbraw/zinc/75/40/95/554754095.db2.gz JWUWFIORXPMGHP-XAHDOWKMSA-N 0 0 563.614 11.990 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccc3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000101392045 554755664 /nfs/dbraw/zinc/75/56/64/554755664.db2.gz CITBYLAMACLEMX-MHZLTWQESA-N 0 0 501.652 5.821 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccccc1)c1cccs1 ZINC000101403777 554760818 /nfs/dbraw/zinc/76/08/18/554760818.db2.gz VSDNHUPLCOJZTD-UPRVQLTISA-N 0 0 533.617 5.907 50 30 KKEARN C=CCc1cc(/C=C2\C(=O)N=C3SC=C(C)N3C2=N)cc(OC)c1OCCOc1ccc(NC(C)=O)cc1 ZINC000101427479 554768930 /nfs/dbraw/zinc/76/89/30/554768930.db2.gz OWYSWINNPIJNPI-YLOHPIGASA-N 0 0 532.622 5.007 50 30 KKEARN CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)Nc4ccc(CC#N)cc4)cn3n2)cc1 ZINC000101481185 554784191 /nfs/dbraw/zinc/78/41/91/554784191.db2.gz PJOZXVOFUPHZJW-UHFFFAOYSA-N 0 0 580.689 6.228 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2/N=C/c2ccccc2)cc1 ZINC000101489365 554785801 /nfs/dbraw/zinc/78/58/01/554785801.db2.gz PPWWMEHILXUKFM-LCAPISIRSA-N 0 0 527.606 5.188 50 30 KKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(CCCCCCC)cc2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000101498272 554787299 /nfs/dbraw/zinc/78/72/99/554787299.db2.gz JWBKXONEZWYTJS-UHFFFAOYSA-N 0 0 500.592 7.584 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000101632647 554812028 /nfs/dbraw/zinc/81/20/28/554812028.db2.gz CYAUUKHEJGLQSJ-PKAZHMFMSA-N 0 0 603.100 5.184 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5ccc(Cl)c(Cl)c5)n42)COC(C)(C)C3)cc1 ZINC000101670066 554823269 /nfs/dbraw/zinc/82/32/69/554823269.db2.gz YUPLGAQWBPQOIM-UHFFFAOYSA-N 0 0 567.502 6.542 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000101672010 554825627 /nfs/dbraw/zinc/82/56/27/554825627.db2.gz JMEZRQDRKQYTFK-PGUFJCEWSA-N 0 0 601.187 9.041 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)NC(c4ccccc4)c4ccccc4)nnc3c2CO1 ZINC000101673166 554826572 /nfs/dbraw/zinc/82/65/72/554826572.db2.gz QVNOUKPYDULJJS-UHFFFAOYSA-N 0 0 574.710 6.194 50 30 KKEARN CCc1cccc(CC)c1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000101682915 554828710 /nfs/dbraw/zinc/82/87/10/554828710.db2.gz GEHMNPHFRKGHAE-MDVFONAFSA-N 0 0 561.155 5.282 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CC[C@H](C(C)(C)C)C3)cc1 ZINC000101726079 554832803 /nfs/dbraw/zinc/83/28/03/554832803.db2.gz SFZIWEGKKXRWGE-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc(OC)c1OC ZINC000102051319 554871518 /nfs/dbraw/zinc/87/15/18/554871518.db2.gz UOWDGRGWKVKIKG-AFJIDDCJSA-N 0 0 556.062 6.818 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102051704 554871523 /nfs/dbraw/zinc/87/15/23/554871523.db2.gz BTIOSNAEMIVIJM-DFXYEROKSA-N 0 0 568.630 5.307 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cc(Br)ccc2O)cc1OC ZINC000102051845 554871539 /nfs/dbraw/zinc/87/15/39/554871539.db2.gz GITFAFDJDMMGTP-SONOPUAISA-N 0 0 586.486 6.624 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(C(C)C)cc2)cc1OC ZINC000102052717 554871870 /nfs/dbraw/zinc/87/18/70/554871870.db2.gz MSDCBWJGYOHHPD-IADCTJSHSA-N 0 0 535.644 6.264 50 30 KKEARN CCCCCCCCCCCCCCCCCOC(=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102053824 554872423 /nfs/dbraw/zinc/87/24/23/554872423.db2.gz APVBBDNJOZIWHF-QNEJGDQOSA-N 0 0 509.691 10.038 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000102055189 554872631 /nfs/dbraw/zinc/87/26/31/554872631.db2.gz WIMHSFNUWYEQSQ-SIBVEZHUSA-N 0 0 561.560 6.160 50 30 KKEARN O=C(Nc1ccc(F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057065 554873126 /nfs/dbraw/zinc/87/31/26/554873126.db2.gz HRAFDSINUWSGCA-UHFFFAOYSA-N 0 0 523.623 6.408 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076493 554874596 /nfs/dbraw/zinc/87/45/96/554874596.db2.gz SVXQBIOFEBWELY-KXDYMIPJSA-N 0 0 501.579 5.650 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076465 554874638 /nfs/dbraw/zinc/87/46/38/554874638.db2.gz DKHAJTRMPUWITN-MNOIWJKESA-N 0 0 511.618 6.057 50 30 KKEARN O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000102131235 554885539 /nfs/dbraw/zinc/88/55/39/554885539.db2.gz KQKGTFZANJYEQZ-JLPGSUDCSA-N 0 0 523.035 6.680 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(C(F)(F)F)c3)N(C3CCCCC3)C1=O)S2 ZINC000102152832 554889696 /nfs/dbraw/zinc/88/96/96/554889696.db2.gz HOMQJVIHUJEKHM-KVPKBOQSSA-N 0 0 519.614 7.021 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ncccc4c3)N(C3CCCCC3)C1=O)S2 ZINC000102152989 554889708 /nfs/dbraw/zinc/88/97/08/554889708.db2.gz TUYBOLFKUUYCGH-NPGLLJSBSA-N 0 0 502.665 6.550 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cc(Cl)ccc3OC)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158777 554890129 /nfs/dbraw/zinc/89/01/29/554890129.db2.gz ADJNQQOHKIBSMD-SMTACHQSSA-N 0 0 526.039 6.242 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175221 554891892 /nfs/dbraw/zinc/89/18/92/554891892.db2.gz CHZNZXJRVUETAG-NPJIAGGLSA-N 0 0 535.438 5.809 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000102225177 554899566 /nfs/dbraw/zinc/89/95/66/554899566.db2.gz JAXIFZBJYBJWNA-OAQYLSRUSA-N 0 0 576.586 6.714 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N=NC(CCC)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000102298370 554908021 /nfs/dbraw/zinc/90/80/21/554908021.db2.gz AVJVOXIFUAPKKB-LSWMGQQCSA-N 0 0 550.792 7.521 50 30 KKEARN CCCCCCCCCCC/C(=N/N=C(/CCCCCCCCCCC)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O ZINC000102302290 554908618 /nfs/dbraw/zinc/90/86/18/554908618.db2.gz UXWADWRORGSQHG-LYDIVBJWSA-N 0 0 617.746 12.440 50 30 KKEARN CCCCCCCCCCC/C(=N/N=C(/CCCCCCCCCCC)c1cc(C)ccc1O)c1cc(C)ccc1O ZINC000102302307 554908628 /nfs/dbraw/zinc/90/86/28/554908628.db2.gz KCRUIIXCGBRRDI-OVTCTGMWSA-N 0 0 576.910 11.750 50 30 KKEARN Cc1nc(NC(=S)NC(=O)c2ccc(Cl)cc2)sc1C(/C=C/c1ccc(Cl)cc1)=N/NC(N)=S ZINC000102308400 554909568 /nfs/dbraw/zinc/90/95/68/554909568.db2.gz UARWEWAHIILMTM-NHJVLHDYSA-N 0 0 549.534 5.136 50 30 KKEARN CC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(CN3CCOCC3)c2O)c(O)c(CN2CCOCC2)c1 ZINC000102320260 554911799 /nfs/dbraw/zinc/91/17/99/554911799.db2.gz ZSDPYCVORQDIHQ-DSANSEMASA-N 0 0 632.890 6.206 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000102377728 554918224 /nfs/dbraw/zinc/91/82/24/554918224.db2.gz LLONTTCDKRZVKP-QMMFTLRZSA-N 0 0 534.612 6.591 50 30 KKEARN CCCCCCCCCOc1cccc([C@@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000102401197 554919764 /nfs/dbraw/zinc/91/97/64/554919764.db2.gz INLCJEHFMNQOHU-UMSFTDKQSA-N 0 0 557.671 10.278 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=N)S1 ZINC000102410261 554923352 /nfs/dbraw/zinc/92/33/52/554923352.db2.gz GYFTWHAFQUIOQY-FCWYARTDSA-N 0 0 501.631 6.808 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000102435922 554928050 /nfs/dbraw/zinc/92/80/50/554928050.db2.gz XDOGVCPXVNRHKI-LQFIONOWSA-N 0 0 619.515 6.958 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000102439423 554929198 /nfs/dbraw/zinc/92/91/98/554929198.db2.gz IBLOBTNDDZOBNZ-VCFSBHLASA-N 0 0 585.616 6.104 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)c([C@@H](C#N)c3ccc(C)cc3)cc2C)c1 ZINC000102452410 554932751 /nfs/dbraw/zinc/93/27/51/554932751.db2.gz ARANBGHHIUXVLJ-BDYUSTAISA-N 0 0 547.677 5.076 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102465650 554935927 /nfs/dbraw/zinc/93/59/27/554935927.db2.gz XZQRJWRKVSMFRF-YAQCTADKSA-N 0 0 592.891 6.261 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102482893 554937708 /nfs/dbraw/zinc/93/77/08/554937708.db2.gz SMYPQYOMLIECNM-DZTJFIFISA-N 0 0 528.605 5.214 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102483670 554937746 /nfs/dbraw/zinc/93/77/46/554937746.db2.gz YFXFDBIQVULBQX-CZNAVJSXSA-N 0 0 571.512 5.080 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102483985 554937775 /nfs/dbraw/zinc/93/77/75/554937775.db2.gz LTKTZDSSTCHHLO-CZNAVJSXSA-N 0 0 528.630 6.453 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 ZINC000102488914 554938885 /nfs/dbraw/zinc/93/88/85/554938885.db2.gz IHIQJRXYOHZCEC-AHPONGEQSA-N 0 0 578.750 8.506 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102489688 554939134 /nfs/dbraw/zinc/93/91/34/554939134.db2.gz VIUQDDHAQZVBNK-ZORLYMSLSA-N 0 0 546.667 6.888 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491845 554939303 /nfs/dbraw/zinc/93/93/03/554939303.db2.gz NOLZDABCOQMCLG-SBXHHDGASA-N 0 0 546.601 5.347 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc(Oc3ccccc3)c2)cc1OC ZINC000102491900 554939344 /nfs/dbraw/zinc/93/93/44/554939344.db2.gz BNYOMMSTDVQOTI-BNHRFMORSA-N 0 0 585.660 6.933 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccc(C)cc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000102493702 554939975 /nfs/dbraw/zinc/93/99/75/554939975.db2.gz FTJHDPOSVFKTCG-SMSORMJASA-N 0 0 540.063 7.118 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000102493704 554940111 /nfs/dbraw/zinc/94/01/11/554940111.db2.gz FTJHDPOSVFKTCG-RCRUUEGKSA-N 0 0 540.063 7.118 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102498781 554941571 /nfs/dbraw/zinc/94/15/71/554941571.db2.gz SOVWXUHQTPCFSB-TXTDGAROSA-N 0 0 559.449 6.898 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102498336 554941580 /nfs/dbraw/zinc/94/15/80/554941580.db2.gz FXXADBVLRBCHDB-AHPONGEQSA-N 0 0 564.638 5.998 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102499485 554941833 /nfs/dbraw/zinc/94/18/33/554941833.db2.gz GUTAPRMOZZFNKN-DFXXOVSGSA-N 0 0 531.605 5.049 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499316 554941917 /nfs/dbraw/zinc/94/19/17/554941917.db2.gz AYZRKHQRBMDQFR-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102499549 554942111 /nfs/dbraw/zinc/94/21/11/554942111.db2.gz DWSQEYQKBKTOPU-AHPONGEQSA-N 0 0 612.649 9.361 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102500890 554942813 /nfs/dbraw/zinc/94/28/13/554942813.db2.gz OLVAHGLEMCMMEK-AHPONGEQSA-N 0 0 578.750 8.506 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102500720 554942829 /nfs/dbraw/zinc/94/28/29/554942829.db2.gz GDCKTEVQLTYEPN-BUANBSPESA-N 0 0 504.995 6.201 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102502907 554943742 /nfs/dbraw/zinc/94/37/42/554943742.db2.gz BFTOXOJLTSAYOJ-XVTRYDTASA-N 0 0 503.551 5.022 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102504335 554944298 /nfs/dbraw/zinc/94/42/98/554944298.db2.gz ZXSWCPJOGHJEQB-SZYGQJGOSA-N 0 0 563.650 6.825 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102504343 554944325 /nfs/dbraw/zinc/94/43/25/554944325.db2.gz ZXSWCPJOGHJEQB-KFLIVHAJSA-N 0 0 563.650 6.825 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102506522 554944549 /nfs/dbraw/zinc/94/45/49/554944549.db2.gz CGQBWPMUFNJCJY-CZNAVJSXSA-N 0 0 571.512 5.080 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102506137 554944562 /nfs/dbraw/zinc/94/45/62/554944562.db2.gz VSPNJRUFQBXQLS-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508962 554945644 /nfs/dbraw/zinc/94/56/44/554945644.db2.gz ZHIICVXSPNNISA-AYWGPLOBSA-N 0 0 504.995 6.283 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509455 554945661 /nfs/dbraw/zinc/94/56/61/554945661.db2.gz NWAZQLYGUUTXHU-ZHHPLPSFSA-N 0 0 534.565 5.396 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1OC ZINC000102514494 554947589 /nfs/dbraw/zinc/94/75/89/554947589.db2.gz FMPNKBXCSZWBOU-WGGXKBPPSA-N 0 0 545.632 5.440 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000102515249 554947650 /nfs/dbraw/zinc/94/76/50/554947650.db2.gz KGZUZIWUEQDAJB-UUALVTFQSA-N 0 0 516.594 5.295 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522528 554949949 /nfs/dbraw/zinc/94/99/49/554949949.db2.gz BLFUNBTXMTZTGF-MRJHHRETSA-N 0 0 511.372 5.370 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102525284 554951683 /nfs/dbraw/zinc/95/16/83/554951683.db2.gz CXDVXSKRRBYEFF-HOGKFDNTSA-N 0 0 520.607 5.352 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102530144 554953661 /nfs/dbraw/zinc/95/36/61/554953661.db2.gz RKSPUQDQZVIIQS-HOGKFDNTSA-N 0 0 520.607 5.134 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102533511 554954778 /nfs/dbraw/zinc/95/47/78/554954778.db2.gz AGSYFPKWGLTRJD-NXLSWJSLSA-N 0 0 500.576 5.720 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102533932 554954925 /nfs/dbraw/zinc/95/49/25/554954925.db2.gz VJLNSHHNSGNWRL-ZHHPLPSFSA-N 0 0 516.575 5.257 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102535442 554955334 /nfs/dbraw/zinc/95/53/34/554955334.db2.gz KYZBGBZPQQZZMD-TXTDGAROSA-N 0 0 561.631 5.058 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102535935 554955609 /nfs/dbraw/zinc/95/56/09/554955609.db2.gz RUOPKXJHGLHQRE-WENCHWOGSA-N 0 0 541.644 6.065 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102543998 554958362 /nfs/dbraw/zinc/95/83/62/554958362.db2.gz UYHNDNOIXDYOGE-ZHHPLPSFSA-N 0 0 549.446 6.392 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102544004 554958513 /nfs/dbraw/zinc/95/85/13/554958513.db2.gz UYHNDNOIXDYOGE-AYWGPLOBSA-N 0 0 549.446 6.392 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102547091 554959629 /nfs/dbraw/zinc/95/96/29/554959629.db2.gz RENVDOXSGFSTRX-VEZPTTSMSA-N 0 0 583.169 9.151 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550928 554961733 /nfs/dbraw/zinc/96/17/33/554961733.db2.gz BNOYMCOFZVUNPY-AHPONGEQSA-N 0 0 620.683 6.672 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102551169 554961916 /nfs/dbraw/zinc/96/19/16/554961916.db2.gz OAQSHCBKPZGRDM-QMMFTLRZSA-N 0 0 533.628 5.657 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102553869 554963503 /nfs/dbraw/zinc/96/35/03/554963503.db2.gz QNMGGBKRSFNCRR-CSVYKXDMSA-N 0 0 518.616 5.706 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102555002 554963722 /nfs/dbraw/zinc/96/37/22/554963722.db2.gz PLMMJNOPBRXDEX-FPRSLYQBSA-N 0 0 570.667 6.434 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102555118 554964071 /nfs/dbraw/zinc/96/40/71/554964071.db2.gz UXMPFWXDLRWTFH-VEZPTTSMSA-N 0 0 572.617 9.896 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102557010 554964957 /nfs/dbraw/zinc/96/49/57/554964957.db2.gz WSUFLLUCPSADPD-CZNAVJSXSA-N 0 0 503.551 5.242 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102559394 554966925 /nfs/dbraw/zinc/96/69/25/554966925.db2.gz KYCFAHFYMJWKMC-CJJGVWJISA-N 0 0 510.615 6.219 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102560244 554967662 /nfs/dbraw/zinc/96/76/62/554967662.db2.gz MVMSKDYEQDGIJJ-XXAHXYPMSA-N 0 0 604.684 7.437 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102561074 554967942 /nfs/dbraw/zinc/96/79/42/554967942.db2.gz BNMMBKYWTOHHDV-TUKIDQFVSA-N 0 0 586.666 5.889 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561027 554967992 /nfs/dbraw/zinc/96/79/92/554967992.db2.gz HYDFWZPIXGYWGM-XXASTYAFSA-N 0 0 556.640 6.099 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102561050 554968017 /nfs/dbraw/zinc/96/80/17/554968017.db2.gz CFTDZQANBPBEHM-HALAOQOWSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561984 554968338 /nfs/dbraw/zinc/96/83/38/554968338.db2.gz SHBFOLFOIWCVRK-KQAPWQHSSA-N 0 0 512.587 5.619 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102563521 554969153 /nfs/dbraw/zinc/96/91/53/554969153.db2.gz PAABTJQOSWTHBD-CGKJMNDRSA-N 0 0 530.577 5.784 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102563502 554969161 /nfs/dbraw/zinc/96/91/61/554969161.db2.gz AHXZCISSIWCXCE-SBXHHDGASA-N 0 0 519.022 6.537 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581834 554972836 /nfs/dbraw/zinc/97/28/36/554972836.db2.gz KAPDSUHUCHCXDB-XVTRYDTASA-N 0 0 539.613 5.375 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583693 554972863 /nfs/dbraw/zinc/97/28/63/554972863.db2.gz LARFBJZKZVJTET-GMBUILNLSA-N 0 0 516.550 5.394 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000102586103 554973221 /nfs/dbraw/zinc/97/32/21/554973221.db2.gz LAEVDSQBUHLKGT-QMMFTLRZSA-N 0 0 521.717 8.729 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102594680 554975692 /nfs/dbraw/zinc/97/56/92/554975692.db2.gz LFRPZBAZTLZEQP-BFLOGMOSSA-N 0 0 524.598 5.672 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606140 554978777 /nfs/dbraw/zinc/97/87/77/554978777.db2.gz WDJFNRFVGKJLCP-MYYSRTQBSA-N 0 0 535.622 5.140 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)CCc4ccccc4)CC3)cc2=O)cc1 ZINC000102612005 554981722 /nfs/dbraw/zinc/98/17/22/554981722.db2.gz PWESLQASAWLYEP-UHFFFAOYSA-N 0 0 533.628 5.034 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S ZINC000102616911 554984465 /nfs/dbraw/zinc/98/44/65/554984465.db2.gz XDXJANVTWDDVNN-RRAHZORUSA-N 0 0 531.791 8.533 50 30 KKEARN COc1ccc(/C(C)=N/OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1OC ZINC000102647275 554993399 /nfs/dbraw/zinc/99/33/99/554993399.db2.gz RNKGMOTYTWWOQG-SBWWSWLISA-N 0 0 584.676 7.139 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000102650779 554995616 /nfs/dbraw/zinc/99/56/16/554995616.db2.gz JSLAWAMHMXCUGR-CZNAVJSXSA-N 0 0 542.613 5.655 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102651407 554995874 /nfs/dbraw/zinc/99/58/74/554995874.db2.gz BRTFTJCTAMQURM-WOOVEIMUSA-N 0 0 568.695 7.042 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651993 554996114 /nfs/dbraw/zinc/99/61/14/554996114.db2.gz DTLSHFFNFQUIQQ-AFSDHNFUSA-N 0 0 628.747 7.278 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102653463 554997117 /nfs/dbraw/zinc/99/71/17/554997117.db2.gz DHXKNXVICQBAHG-UUALVTFQSA-N 0 0 598.677 6.151 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102653627 554997173 /nfs/dbraw/zinc/99/71/73/554997173.db2.gz MGJDGFUTNMBWDF-UVDRRRQGSA-N 0 0 514.559 5.016 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000102653120 554997193 /nfs/dbraw/zinc/99/71/93/554997193.db2.gz SANVYHBHTLXTHM-QNIVJUIWSA-N 0 0 512.587 5.645 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102653151 554997211 /nfs/dbraw/zinc/99/72/11/554997211.db2.gz BFAWFCZXXIBMCL-QMNXYOJKSA-N 0 0 598.721 7.070 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657821 554999597 /nfs/dbraw/zinc/99/95/97/554999597.db2.gz GYPXYUOVEMRLPW-KNZGKXHUSA-N 0 0 516.550 5.394 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102658869 554999802 /nfs/dbraw/zinc/99/98/02/554999802.db2.gz JVMTWIZMZVBYIA-JDDIYYEHSA-N 0 0 504.589 5.316 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102658698 554999829 /nfs/dbraw/zinc/99/98/29/554999829.db2.gz HEPBEJIBQZEQBU-RUZDIDTESA-N 0 0 532.438 5.502 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000102660028 555000084 /nfs/dbraw/zinc/00/00/84/555000084.db2.gz RZRBGEGSAUNCPA-FZGPYELWSA-N 0 0 512.609 6.265 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102683531 555006694 /nfs/dbraw/zinc/00/66/94/555006694.db2.gz SPVULZHSEKUSJV-PQHLKRTFSA-N 0 0 533.510 8.349 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102687301 555007215 /nfs/dbraw/zinc/00/72/15/555007215.db2.gz UJSFRTOEEJZMFW-SSEXGKCCSA-N 0 0 566.683 5.671 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCC)cc2)cc1 ZINC000102688317 555007607 /nfs/dbraw/zinc/00/76/07/555007607.db2.gz IEBSEIUXVBQVBO-PQHLKRTFSA-N 0 0 547.493 7.825 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000102689584 555007769 /nfs/dbraw/zinc/00/77/69/555007769.db2.gz RZRBGEGSAUNCPA-BOEJXIRASA-N 0 0 512.609 6.265 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccs3)cc2)c1 ZINC000102693332 555009185 /nfs/dbraw/zinc/00/91/85/555009185.db2.gz XPTORNUFISDIEU-CZNAVJSXSA-N 0 0 513.619 5.344 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699177 555012464 /nfs/dbraw/zinc/01/24/64/555012464.db2.gz NMSXRWANWOSLSQ-NXLSWJSLSA-N 0 0 518.566 5.641 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102701649 555013180 /nfs/dbraw/zinc/01/31/80/555013180.db2.gz KYNFAPBUWJPXCB-AYWGPLOBSA-N 0 0 502.661 6.844 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702606 555013319 /nfs/dbraw/zinc/01/33/19/555013319.db2.gz WVOGIRCDXKFQRE-IUKMQXEJSA-N 0 0 533.049 6.926 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102704110 555013574 /nfs/dbraw/zinc/01/35/74/555013574.db2.gz JEIRQJQAGVEFPO-QKJBWNOYSA-N 0 0 514.603 5.865 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000102704723 555013945 /nfs/dbraw/zinc/01/39/45/555013945.db2.gz NBLLOXGXARKEKF-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102706225 555014812 /nfs/dbraw/zinc/01/48/12/555014812.db2.gz LYQOJHXCNRMPKA-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708944 555015813 /nfs/dbraw/zinc/01/58/13/555015813.db2.gz SVIVMSHLEJRRNW-NPJIAGGLSA-N 0 0 542.613 5.670 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102713520 555017671 /nfs/dbraw/zinc/01/76/71/555017671.db2.gz BBOYNHWVIAFSOD-CZNAVJSXSA-N 0 0 512.631 6.617 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102715724 555018607 /nfs/dbraw/zinc/01/86/07/555018607.db2.gz GFJWMCIYUZLUSA-UUALVTFQSA-N 0 0 513.977 6.442 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102716836 555018793 /nfs/dbraw/zinc/01/87/93/555018793.db2.gz ZTGDUKRLTVXEGY-DFXXOVSGSA-N 0 0 525.580 5.422 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102717040 555018836 /nfs/dbraw/zinc/01/88/36/555018836.db2.gz HWVVRWIGGCZILD-TXTDGAROSA-N 0 0 515.606 5.431 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102717789 555019330 /nfs/dbraw/zinc/01/93/30/555019330.db2.gz LUFYCUVMUWGTMX-CZNAVJSXSA-N 0 0 528.630 6.282 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102719703 555019902 /nfs/dbraw/zinc/01/99/02/555019902.db2.gz CCZFDQRJWMZETB-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102721677 555020369 /nfs/dbraw/zinc/02/03/69/555020369.db2.gz ASMLMQICKTUFAZ-WGGXKBPPSA-N 0 0 529.633 6.280 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)c1 ZINC000102723157 555020726 /nfs/dbraw/zinc/02/07/26/555020726.db2.gz NWPKOCYOKDYDSH-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102725582 555021513 /nfs/dbraw/zinc/02/15/13/555021513.db2.gz OPBLUBMGHBNEOS-ONQGDUAMSA-N 0 0 501.579 5.041 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102728198 555022551 /nfs/dbraw/zinc/02/25/51/555022551.db2.gz LASAKGODSKHIFQ-CJJGVWJISA-N 0 0 544.629 6.037 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728332 555022765 /nfs/dbraw/zinc/02/27/65/555022765.db2.gz XHGUNLFLGXNPOU-NXLSWJSLSA-N 0 0 502.592 6.175 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1C ZINC000102728934 555022959 /nfs/dbraw/zinc/02/29/59/555022959.db2.gz GUHNSWCYYNTYHB-KQAPWQHSSA-N 0 0 514.603 5.865 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730035 555023294 /nfs/dbraw/zinc/02/32/94/555023294.db2.gz FELKMXGCFKWLON-SBXHHDGASA-N 0 0 502.567 6.023 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102730181 555023569 /nfs/dbraw/zinc/02/35/69/555023569.db2.gz BFSHYSSWPFYOFP-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732565 555024052 /nfs/dbraw/zinc/02/40/52/555024052.db2.gz JASBROZHAALHAX-ZHHPLPSFSA-N 0 0 549.446 6.256 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102732630 555024063 /nfs/dbraw/zinc/02/40/63/555024063.db2.gz KMILJVMZQVRHNO-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732567 555024091 /nfs/dbraw/zinc/02/40/91/555024091.db2.gz JASBROZHAALHAX-AYWGPLOBSA-N 0 0 549.446 6.256 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102732978 555024382 /nfs/dbraw/zinc/02/43/82/555024382.db2.gz WUOFMUXVIGZTKY-CJJGVWJISA-N 0 0 505.014 5.211 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102735047 555024925 /nfs/dbraw/zinc/02/49/25/555024925.db2.gz JRBLFYQWHACUAD-IUKMQXEJSA-N 0 0 546.601 5.265 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102734817 555024974 /nfs/dbraw/zinc/02/49/74/555024974.db2.gz JEMZYCWPWGJGAB-DFXXOVSGSA-N 0 0 531.605 5.049 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735287 555025344 /nfs/dbraw/zinc/02/53/44/555025344.db2.gz INPOPVAHNSDVKQ-RWMNMRIUSA-N 0 0 532.596 5.606 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735571 555025838 /nfs/dbraw/zinc/02/58/38/555025838.db2.gz NZKYDUXURDSEDY-WATAJRNESA-N 0 0 588.685 7.655 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000102736360 555026155 /nfs/dbraw/zinc/02/61/55/555026155.db2.gz BYSBFFZPDKSFMB-RRPNLBNLSA-N 0 0 519.428 7.479 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl ZINC000102738588 555027507 /nfs/dbraw/zinc/02/75/07/555027507.db2.gz ZLOIDVUMKNGRGC-UHFFFAOYSA-N 0 0 524.451 5.595 50 30 KKEARN CC[C@@H](Oc1ccccc1/C=N/N=C/c1ccccc1O[C@@H](CC)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 ZINC000102743439 555033842 /nfs/dbraw/zinc/03/38/42/555033842.db2.gz YGVKJBXYUNYLHS-LJYZNARBSA-N 0 0 590.724 6.087 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102750182 555043962 /nfs/dbraw/zinc/04/39/62/555043962.db2.gz KCMGKKHKRKXFOT-JRWPJQGQSA-N 0 0 534.619 5.815 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000102754566 555046301 /nfs/dbraw/zinc/04/63/01/555046301.db2.gz WTEVEOOHSCGQQV-UHFFFAOYSA-N 0 0 536.701 5.726 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770770 555057972 /nfs/dbraw/zinc/05/79/72/555057972.db2.gz XBCYGHQJRDOKSI-BGJULJLKSA-N 0 0 512.393 5.025 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770838 555058199 /nfs/dbraw/zinc/05/81/99/555058199.db2.gz NSTLULFUDMMLLY-ZTLVYLBESA-N 0 0 575.484 6.625 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102770858 555058666 /nfs/dbraw/zinc/05/86/66/555058666.db2.gz DPJQGHMCRVQFKD-ROBPHKHBSA-N 0 0 538.669 6.852 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770991 555059022 /nfs/dbraw/zinc/05/90/22/555059022.db2.gz TVEJMXCEMCTENZ-ROBPHKHBSA-N 0 0 601.725 7.043 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770952 555059099 /nfs/dbraw/zinc/05/90/99/555059099.db2.gz RANMIEHHWOVNED-FGEDTZIGSA-N 0 0 597.762 7.212 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771049 555059285 /nfs/dbraw/zinc/05/92/85/555059285.db2.gz MBJZNLIDCLIYCQ-AIKCTZLLSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771016 555059410 /nfs/dbraw/zinc/05/94/10/555059410.db2.gz VJMSMBROSDCHSE-WRPQUVRJSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771019 555059488 /nfs/dbraw/zinc/05/94/88/555059488.db2.gz IPRDAECSNPLPKC-HALAOQOWSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771143 555059704 /nfs/dbraw/zinc/05/97/04/555059704.db2.gz PHGPWOXZHLYLPG-WRPQUVRJSA-N 0 0 527.558 5.463 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771125 555059726 /nfs/dbraw/zinc/05/97/26/555059726.db2.gz IGSAGWVPIMZPNS-NIOKHIIOSA-N 0 0 514.578 6.002 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102771375 555060400 /nfs/dbraw/zinc/06/04/00/555060400.db2.gz YEDFYLXKLLYYHG-ZTLVYLBESA-N 0 0 512.587 5.568 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771328 555060444 /nfs/dbraw/zinc/06/04/44/555060444.db2.gz ADPNXSATEHZAJK-KWBQTAPJSA-N 0 0 531.033 6.516 50 30 KKEARN CSC1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1c1ccccc1 ZINC000102785271 555067515 /nfs/dbraw/zinc/06/75/15/555067515.db2.gz XBUYPIYWAJXULK-OAQYLSRUSA-N 0 0 548.289 7.484 50 30 KKEARN COc1ccc(-n2c(=S)n(-c3ccccc3)s/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000102787125 555067737 /nfs/dbraw/zinc/06/77/37/555067737.db2.gz LGRAZKKLUILWPD-UCOKIVQFSA-N 0 0 508.672 7.055 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3CC)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812756 555075235 /nfs/dbraw/zinc/07/52/35/555075235.db2.gz KHRUXXSFVXSJGP-UHFFFAOYSA-N 0 0 550.684 6.873 50 30 KKEARN CCCCCCCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000102830432 555078422 /nfs/dbraw/zinc/07/84/22/555078422.db2.gz JQDSQSIKFDKOTB-UHFFFAOYSA-N 0 0 579.226 8.380 50 30 KKEARN CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)cc(I)c1OCC(=O)Nc1ccccc1OC ZINC000102845893 555084322 /nfs/dbraw/zinc/08/43/22/555084322.db2.gz IMWRJJZSJOZDJB-QDTIIGTASA-N 0 0 614.267 6.469 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102856582 555088018 /nfs/dbraw/zinc/08/80/18/555088018.db2.gz VQXVDILTZBPLMR-GAPOMRBKSA-N 0 0 574.655 5.964 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102856940 555088312 /nfs/dbraw/zinc/08/83/12/555088312.db2.gz DZLDANQINPSPSS-NXLSWJSLSA-N 0 0 530.602 5.565 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102858962 555089357 /nfs/dbraw/zinc/08/93/57/555089357.db2.gz WHGPOGYOGHLULS-ONQGDUAMSA-N 0 0 516.594 5.151 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000102859826 555090061 /nfs/dbraw/zinc/09/00/61/555090061.db2.gz ZFYJOCYXDMMKPH-QMMFTLRZSA-N 0 0 548.724 8.498 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102860429 555090524 /nfs/dbraw/zinc/09/05/24/555090524.db2.gz VVQKUKUPJKCYDM-DFXXOVSGSA-N 0 0 577.519 6.100 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102861482 555091628 /nfs/dbraw/zinc/09/16/28/555091628.db2.gz VBTHNENAXOPBLC-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102862756 555092609 /nfs/dbraw/zinc/09/26/09/555092609.db2.gz DOYAWPOMTUOPHU-GSYBUTJLSA-N 0 0 541.644 6.210 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102862750 555092621 /nfs/dbraw/zinc/09/26/21/555092621.db2.gz MIKFLPBWLWJMLE-JHRPXHEESA-N 0 0 582.656 7.383 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102862485 555092623 /nfs/dbraw/zinc/09/26/23/555092623.db2.gz VTZGAQBTJGENKO-FFMCZVIESA-N 0 0 555.671 6.108 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102863032 555092885 /nfs/dbraw/zinc/09/28/85/555092885.db2.gz MEICGQABHIGMKF-NXLSWJSLSA-N 0 0 500.576 5.557 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000102865717 555095182 /nfs/dbraw/zinc/09/51/82/555095182.db2.gz MIFUZAPTPFVHRT-DPEUNQJYSA-N 0 0 583.688 6.262 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102866932 555096387 /nfs/dbraw/zinc/09/63/87/555096387.db2.gz PXVDJVXZXHMJLO-QMMFTLRZSA-N 0 0 538.172 9.243 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867239 555096692 /nfs/dbraw/zinc/09/66/92/555096692.db2.gz KXUKOWRWRPGNAR-OFNYXUPYSA-N 0 0 556.640 6.043 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867945 555097243 /nfs/dbraw/zinc/09/72/43/555097243.db2.gz BMCBXGUSHIPPNX-BGLRTBKGSA-N 0 0 591.085 6.697 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102867814 555097346 /nfs/dbraw/zinc/09/73/46/555097346.db2.gz CTGVJCDZRFLDMC-DFXXOVSGSA-N 0 0 529.589 5.267 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102867780 555097384 /nfs/dbraw/zinc/09/73/84/555097384.db2.gz ZIIPQCRJPYTJJR-TXTDGAROSA-N 0 0 513.590 5.649 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102868113 555097553 /nfs/dbraw/zinc/09/75/53/555097553.db2.gz CWNYWXMWKHZHJG-CZNAVJSXSA-N 0 0 544.629 5.901 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868477 555097846 /nfs/dbraw/zinc/09/78/46/555097846.db2.gz UXUCTMCKQMZBIH-FSISNWKMSA-N 0 0 607.482 6.031 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868474 555097899 /nfs/dbraw/zinc/09/78/99/555097899.db2.gz UXUCTMCKQMZBIH-WGQAXHKASA-N 0 0 607.482 6.031 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102868653 555098276 /nfs/dbraw/zinc/09/82/76/555098276.db2.gz NWJIVEYCBFEERE-ICQXDZJJSA-N 0 0 541.644 5.862 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869142 555098613 /nfs/dbraw/zinc/09/86/13/555098613.db2.gz PWOVAFUHCJHMPF-CGKJMNDRSA-N 0 0 514.578 5.948 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(C3CCCCCC3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102869498 555098746 /nfs/dbraw/zinc/09/87/46/555098746.db2.gz MIVCTDAYQSSXMF-LJAQVGFWSA-N 0 0 574.596 5.465 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102871062 555101402 /nfs/dbraw/zinc/10/14/02/555101402.db2.gz NOHHXQCBCCYKQX-IUKMQXEJSA-N 0 0 574.611 5.028 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102872821 555103546 /nfs/dbraw/zinc/10/35/46/555103546.db2.gz DGFNFDNWWLJHGS-VIDUVWHZSA-N 0 0 569.698 6.498 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102872888 555103568 /nfs/dbraw/zinc/10/35/68/555103568.db2.gz MJFJMVVEHWQTBB-PMERELPUSA-N 0 0 600.565 5.124 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102874573 555104817 /nfs/dbraw/zinc/10/48/17/555104817.db2.gz JIIMQUALVLAFEQ-UVDRRRQGSA-N 0 0 530.602 5.565 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000102878161 555107599 /nfs/dbraw/zinc/10/75/99/555107599.db2.gz JTFODAJXNRYYFN-KFLIVHAJSA-N 0 0 642.675 9.369 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102879782 555108768 /nfs/dbraw/zinc/10/87/68/555108768.db2.gz CZKUZGGVMLGKIA-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102880213 555109356 /nfs/dbraw/zinc/10/93/56/555109356.db2.gz VDAIJGSCNPEUPZ-FFMCZVIESA-N 0 0 555.671 6.456 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102882493 555110735 /nfs/dbraw/zinc/11/07/35/555110735.db2.gz JXTFJQRDGFLVNG-BUANBSPESA-N 0 0 515.547 5.456 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882786 555111083 /nfs/dbraw/zinc/11/10/83/555111083.db2.gz PCKDKMBTSSBKBJ-NPJIAGGLSA-N 0 0 532.593 6.168 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883550 555112032 /nfs/dbraw/zinc/11/20/32/555112032.db2.gz NELUYDHZVSZAKH-FPRSLYQBSA-N 0 0 604.725 6.572 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883505 555112126 /nfs/dbraw/zinc/11/21/26/555112126.db2.gz PGAPNRIGGMSGDN-NPJIAGGLSA-N 0 0 546.601 5.347 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102883884 555112620 /nfs/dbraw/zinc/11/26/20/555112620.db2.gz LOIKPKBDODCKIW-KFLIVHAJSA-N 0 0 563.779 8.612 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102884277 555113195 /nfs/dbraw/zinc/11/31/95/555113195.db2.gz REBYOHZSLMBCGE-RJIUIVJKSA-N 0 0 560.823 8.964 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884627 555113861 /nfs/dbraw/zinc/11/38/61/555113861.db2.gz DBHLQGAQTNWJOV-ROBPHKHBSA-N 0 0 620.724 6.011 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884798 555114450 /nfs/dbraw/zinc/11/44/50/555114450.db2.gz RVRONKCYPLHIOQ-OFNYXUPYSA-N 0 0 556.640 5.962 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102884802 555114499 /nfs/dbraw/zinc/11/44/99/555114499.db2.gz JXRXVLGONFDOBD-CFQDGGCTSA-N 0 0 577.806 8.915 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102884783 555114560 /nfs/dbraw/zinc/11/45/60/555114560.db2.gz ZGUBPBDPDDYIMP-VTVSLZSGSA-N 0 0 559.663 5.296 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884820 555114600 /nfs/dbraw/zinc/11/46/00/555114600.db2.gz UQDIHFJFKMIMQQ-VXJPNWOUSA-N 0 0 568.695 7.123 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886106 555116584 /nfs/dbraw/zinc/11/65/84/555116584.db2.gz CXUOICULPXPQJR-XGHLFYEISA-N 0 0 554.624 5.649 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887055 555117781 /nfs/dbraw/zinc/11/77/81/555117781.db2.gz DJXGXYZSAMDSNL-IQKFOVTFSA-N 0 0 584.694 6.880 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887063 555117794 /nfs/dbraw/zinc/11/77/94/555117794.db2.gz JZJGRYSKRWGPNW-NXLSVDECSA-N 0 0 590.657 7.047 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102887396 555119181 /nfs/dbraw/zinc/11/91/81/555119181.db2.gz OZTDYJQKQYADMJ-JRPVAJNPSA-N 0 0 528.586 5.350 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102887545 555119560 /nfs/dbraw/zinc/11/95/60/555119560.db2.gz LNSVVXHWZIPLSQ-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887505 555119615 /nfs/dbraw/zinc/11/96/15/555119615.db2.gz VUNABNJTMVLUIN-IKZPYDRGSA-N 0 0 540.641 6.207 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887529 555119626 /nfs/dbraw/zinc/11/96/26/555119626.db2.gz IMBQIJCISUWLOK-PEHBIRLUSA-N 0 0 558.612 5.272 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887681 555119856 /nfs/dbraw/zinc/11/98/56/555119856.db2.gz LSAJQMLXYKRABR-GRBPGWBESA-N 0 0 619.139 7.477 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102888041 555120458 /nfs/dbraw/zinc/12/04/58/555120458.db2.gz MABOUYRSTBPDQF-SBXHHDGASA-N 0 0 563.473 6.646 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888736 555122094 /nfs/dbraw/zinc/12/20/94/555122094.db2.gz YRQQHAVJLJHLBP-FSDXSRJSSA-N 0 0 546.645 5.783 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889754 555124215 /nfs/dbraw/zinc/12/42/15/555124215.db2.gz KAFUPGWNMLNMOQ-HAQIDCBSSA-N 0 0 547.032 6.298 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889827 555124453 /nfs/dbraw/zinc/12/44/53/555124453.db2.gz PHRDDWPSSRJDNT-KNZGKXHUSA-N 0 0 516.550 5.394 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102889999 555124857 /nfs/dbraw/zinc/12/48/57/555124857.db2.gz HXEUMKANINIIOL-VEZPTTSMSA-N 0 0 557.643 5.700 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890461 555125600 /nfs/dbraw/zinc/12/56/00/555125600.db2.gz UKKOBJPOODBOAY-NXLSVDECSA-N 0 0 633.166 7.867 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890778 555126125 /nfs/dbraw/zinc/12/61/25/555126125.db2.gz MWKCKCAFSYPJDM-CZNAVJSXSA-N 0 0 528.630 6.201 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890855 555126555 /nfs/dbraw/zinc/12/65/55/555126555.db2.gz DHPUYVJMFVPNBB-UJWLLDLUSA-N 0 0 572.639 5.580 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891477 555127143 /nfs/dbraw/zinc/12/71/43/555127143.db2.gz FYKAOPJNFUYTGC-YMMFOPJESA-N 0 0 546.645 5.701 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891648 555127383 /nfs/dbraw/zinc/12/73/83/555127383.db2.gz KNSZFCXTNBZHRW-SSELITHESA-N 0 0 542.613 5.659 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891542 555127443 /nfs/dbraw/zinc/12/74/43/555127443.db2.gz PMPDUNJRHKAXAB-RXVNBYBTSA-N 0 0 556.640 5.880 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892339 555128424 /nfs/dbraw/zinc/12/84/24/555128424.db2.gz URNKHSBUPCXBEN-WRPQUVRJSA-N 0 0 532.618 5.393 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892338 555128472 /nfs/dbraw/zinc/12/84/72/555128472.db2.gz URNKHSBUPCXBEN-BBHOXHGRSA-N 0 0 532.618 5.393 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892997 555129555 /nfs/dbraw/zinc/12/95/55/555129555.db2.gz YXDGQACNXSIEDZ-DZTJFIFISA-N 0 0 610.688 6.157 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892999 555129657 /nfs/dbraw/zinc/12/96/57/555129657.db2.gz YXDGQACNXSIEDZ-VMFRQMAUSA-N 0 0 610.688 6.157 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893178 555130132 /nfs/dbraw/zinc/13/01/32/555130132.db2.gz LPJCGBSAWPYSKM-MDLGLMBTSA-N 0 0 618.711 7.224 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893181 555130225 /nfs/dbraw/zinc/13/02/25/555130225.db2.gz LPJCGBSAWPYSKM-ZRUWLVFBSA-N 0 0 618.711 7.224 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102893302 555130563 /nfs/dbraw/zinc/13/05/63/555130563.db2.gz VZYUIMCQTCUOMX-VEZPTTSMSA-N 0 0 593.721 8.406 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102893347 555130752 /nfs/dbraw/zinc/13/07/52/555130752.db2.gz KDZFHYFJGVVDAV-QBCYBHDASA-N 0 0 542.632 5.605 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893489 555131049 /nfs/dbraw/zinc/13/10/49/555131049.db2.gz XRBQOEPPYRKIIV-FCLPXNLHSA-N 0 0 573.690 5.686 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102893526 555131093 /nfs/dbraw/zinc/13/10/93/555131093.db2.gz XKISSRLHRYJTHY-RDGASKBCSA-N 0 0 576.649 6.005 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102893775 555131672 /nfs/dbraw/zinc/13/16/72/555131672.db2.gz HCYKITXKKVQGDS-PLQDCEFPSA-N 0 0 569.698 6.642 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102893859 555131687 /nfs/dbraw/zinc/13/16/87/555131687.db2.gz STVMCHPBRPUFIE-NXLSWJSLSA-N 0 0 563.473 6.646 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102894165 555131999 /nfs/dbraw/zinc/13/19/99/555131999.db2.gz GYHBRMFWTZADKJ-ZHHPLPSFSA-N 0 0 502.523 5.141 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894466 555132457 /nfs/dbraw/zinc/13/24/57/555132457.db2.gz AZTXZJNFHMQUIO-UJWLLDLUSA-N 0 0 561.059 6.688 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102894648 555132812 /nfs/dbraw/zinc/13/28/12/555132812.db2.gz LVVGOLOAXJKLCG-TXTDGAROSA-N 0 0 547.604 5.496 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894712 555132899 /nfs/dbraw/zinc/13/28/99/555132899.db2.gz HNJMTSZRYIGONN-NEMSTITPSA-N 0 0 576.671 5.613 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894931 555133228 /nfs/dbraw/zinc/13/32/28/555133228.db2.gz HAKRXRLBKBWRLF-UZGIXAGNSA-N 0 0 598.721 6.988 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894930 555133253 /nfs/dbraw/zinc/13/32/53/555133253.db2.gz HAKRXRLBKBWRLF-VGZNNGDKSA-N 0 0 598.721 6.988 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102895206 555133735 /nfs/dbraw/zinc/13/37/35/555133735.db2.gz WUFNMBKRGDBSRU-YREDKMEYSA-N 0 0 512.606 5.596 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102895117 555133793 /nfs/dbraw/zinc/13/37/93/555133793.db2.gz KABSVXYFMBURGW-ZORLYMSLSA-N 0 0 563.606 5.667 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897196 555137467 /nfs/dbraw/zinc/13/74/67/555137467.db2.gz MMWRZLYIGBJROA-SSELITHESA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899741 555139384 /nfs/dbraw/zinc/13/93/84/555139384.db2.gz BNINGGZXPYQADM-LOTNQUKISA-N 0 0 628.747 7.078 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102899670 555139446 /nfs/dbraw/zinc/13/94/46/555139446.db2.gz PPPNHNGLHRVRMV-TVXPFAQOSA-N 0 0 510.615 6.117 50 30 KKEARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C[C@H]2CCCO2)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000102915187 555143709 /nfs/dbraw/zinc/14/37/09/555143709.db2.gz HTSKPPKMAPBMMD-AREMUKBSSA-N 0 0 576.719 5.230 50 30 KKEARN O=C(CNc1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000102924865 555148900 /nfs/dbraw/zinc/14/89/00/555148900.db2.gz IWFFYOIMLVCPCK-DIPNUNPCSA-N 0 0 587.417 6.155 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102924959 555149075 /nfs/dbraw/zinc/14/90/75/555149075.db2.gz CWJMWWFOZMOYLS-NPJIAGGLSA-N 0 0 522.045 5.745 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102926642 555151138 /nfs/dbraw/zinc/15/11/38/555151138.db2.gz HRKRZZSUBZGERU-MIOXIQPJSA-N 0 0 595.523 6.025 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102927554 555152170 /nfs/dbraw/zinc/15/21/70/555152170.db2.gz HNTHMYASZPOISF-VDBNUPDGSA-N 0 0 555.671 6.252 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102927777 555152424 /nfs/dbraw/zinc/15/24/24/555152424.db2.gz ICZHOIGMAAHRNM-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN Cc1ccc(-c2oc(N(C(=O)c3cccc([N+](=O)[O-])c3C)C(=O)c3cccc([N+](=O)[O-])c3C)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000102927860 555152651 /nfs/dbraw/zinc/15/26/51/555152651.db2.gz RHJMESOTRBYVBG-UHFFFAOYSA-N 0 0 614.614 8.023 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102928495 555154034 /nfs/dbraw/zinc/15/40/34/555154034.db2.gz SMGOGZJQDZLEST-QPNXRCJGSA-N 0 0 548.724 8.498 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102929820 555156130 /nfs/dbraw/zinc/15/61/30/555156130.db2.gz UPFIRFUEHBPYDT-CJJGVWJISA-N 0 0 501.627 5.481 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929865 555156170 /nfs/dbraw/zinc/15/61/70/555156170.db2.gz FTUMCWGDCNYJDC-NXLSWJSLSA-N 0 0 528.586 5.416 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000102930051 555156416 /nfs/dbraw/zinc/15/64/16/555156416.db2.gz JWUOYXGDHAIWGE-NPJIAGGLSA-N 0 0 501.539 5.099 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102930561 555157280 /nfs/dbraw/zinc/15/72/80/555157280.db2.gz OLVONWKSHWUYRE-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931557 555159237 /nfs/dbraw/zinc/15/92/37/555159237.db2.gz SQILUXOIXGMULL-AYWGPLOBSA-N 0 0 514.559 5.108 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931751 555159420 /nfs/dbraw/zinc/15/94/20/555159420.db2.gz LQXIFSIYYYHRMF-IUKMQXEJSA-N 0 0 512.631 6.537 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102933107 555160225 /nfs/dbraw/zinc/16/02/25/555160225.db2.gz KFEAGRQIINKBPN-COUQNMRISA-N 0 0 518.566 5.696 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 ZINC000102932875 555160232 /nfs/dbraw/zinc/16/02/32/555160232.db2.gz BCIYVAGWADNNIQ-AHPONGEQSA-N 0 0 596.650 9.661 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1c(Cl)cccc1Cl)(N1C[C@@H](C)O[C@@H](C)C1)N(C)C(c1ccccc1)=N2 ZINC000102940339 555168955 /nfs/dbraw/zinc/16/89/55/555168955.db2.gz GRTNOZCIGLNSLS-SNCHSOCGSA-N 0 0 570.465 6.533 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC/C1=C/c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000102944358 555171180 /nfs/dbraw/zinc/17/11/80/555171180.db2.gz WHWPUJSXZFIKQD-RIRMOVKSSA-N 0 0 615.524 8.319 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccccc1Br ZINC000102946292 555171936 /nfs/dbraw/zinc/17/19/36/555171936.db2.gz NFLYJIGFUGCSQN-RQZHXJHFSA-N 0 0 560.425 7.558 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c(Br)c3N2)cc1 ZINC000102973224 555183108 /nfs/dbraw/zinc/18/31/08/555183108.db2.gz AMGXNZICLXJZKW-KHDYIWLOSA-N 0 0 594.457 6.625 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccco3)c2C(=O)OCC)nnc1-c1ccccc1OC ZINC000102987061 555191139 /nfs/dbraw/zinc/19/11/39/555191139.db2.gz LTXVWHGFMWOWNR-UHFFFAOYSA-N 0 0 524.624 5.369 50 30 KKEARN CCCCCCCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000102991632 555192710 /nfs/dbraw/zinc/19/27/10/555192710.db2.gz CAYBZHCNLXNPIZ-UHFFFAOYSA-N 0 0 537.600 6.955 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000102991900 555192729 /nfs/dbraw/zinc/19/27/29/555192729.db2.gz JQCBCMMIPOUNRG-UHFFFAOYSA-N 0 0 582.984 5.544 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000102992320 555192965 /nfs/dbraw/zinc/19/29/65/555192965.db2.gz FCNARRUEPKGCSF-UHFFFAOYSA-N 0 0 522.509 5.259 50 30 KKEARN CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000102992726 555193173 /nfs/dbraw/zinc/19/31/73/555193173.db2.gz HATRMNYAKSRJNG-NRFANRHFSA-N 0 0 529.504 5.994 50 30 KKEARN CCCCCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102995710 555195188 /nfs/dbraw/zinc/19/51/88/555195188.db2.gz BCGUPMJLDZDANU-UHFFFAOYSA-N 0 0 529.697 5.249 50 30 KKEARN CCCCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCC(C)C)c1 ZINC000102996581 555196261 /nfs/dbraw/zinc/19/62/61/555196261.db2.gz RRULNFCNMSUTIA-UHFFFAOYSA-N 0 0 522.734 6.097 50 30 KKEARN CCCCCCCCCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000102997976 555197140 /nfs/dbraw/zinc/19/71/40/555197140.db2.gz YWNMKGDWGHOAAL-UHFFFAOYSA-N 0 0 552.767 6.894 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102998154 555197468 /nfs/dbraw/zinc/19/74/68/555197468.db2.gz PZRNNQHXIYSUTB-QFIPXVFZSA-N 0 0 522.671 5.741 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(-n2nc(OCC)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000102998501 555197692 /nfs/dbraw/zinc/19/76/92/555197692.db2.gz NPDMJZLAOBNAGC-UHFFFAOYSA-N 0 0 502.581 7.431 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1 ZINC000102998967 555198235 /nfs/dbraw/zinc/19/82/35/555198235.db2.gz QZVFPNLWCRXOOI-UHFFFAOYSA-N 0 0 615.837 5.639 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000102999591 555199300 /nfs/dbraw/zinc/19/93/00/555199300.db2.gz QXWZSNZEVBWTAV-UHFFFAOYSA-N 0 0 597.797 5.927 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000102999657 555199495 /nfs/dbraw/zinc/19/94/95/555199495.db2.gz UCCDJRHHBUGFKE-UUWRZZSWSA-N 0 0 560.182 8.479 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000102999893 555199758 /nfs/dbraw/zinc/19/97/58/555199758.db2.gz OGBMAHLXRJCJGY-WJOKGBTCSA-N 0 0 523.787 6.287 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OCCOCC)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000103000154 555199938 /nfs/dbraw/zinc/19/99/38/555199938.db2.gz DSBWIBPEBSWVLP-UHFFFAOYSA-N 0 0 550.700 6.938 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)cc1 ZINC000103000891 555200743 /nfs/dbraw/zinc/20/07/43/555200743.db2.gz ZBUPILVEVDJJAW-NDEPHWFRSA-N 0 0 527.838 8.437 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OCCOCC)nc2-c2cccc(F)c2)cc1 ZINC000103000900 555200747 /nfs/dbraw/zinc/20/07/47/555200747.db2.gz PXIZDITYFSZJMB-UHFFFAOYSA-N 0 0 552.735 8.128 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000103000750 555200810 /nfs/dbraw/zinc/20/08/10/555200810.db2.gz BQONCWASMBVHJD-UHFFFAOYSA-N 0 0 528.709 6.703 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1c(cc(OC)c([N+](=O)[O-])c1OC)O2 ZINC000103001705 555201695 /nfs/dbraw/zinc/20/16/95/555201695.db2.gz VCXYCNDSAKHZDP-KXQOOQHDSA-N 0 0 620.875 10.773 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000103002880 555201988 /nfs/dbraw/zinc/20/19/88/555201988.db2.gz FNGIYQTXQXXRPM-QMMFTLRZSA-N 0 0 583.169 9.151 50 30 KKEARN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)COc2ccc(C#N)cc2)cc1OCC ZINC000103008620 555205237 /nfs/dbraw/zinc/20/52/37/555205237.db2.gz SWVJPPBSEDJFPE-NDEPHWFRSA-N 0 0 558.675 5.901 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008442 555205243 /nfs/dbraw/zinc/20/52/43/555205243.db2.gz ICLYCBXNLMBGJM-NIJXNBFTSA-N 0 0 561.009 5.226 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008479 555205269 /nfs/dbraw/zinc/20/52/69/555205269.db2.gz ONAYFLBFDMXOEG-ZDJNHPEVSA-N 0 0 572.608 5.492 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008481 555205300 /nfs/dbraw/zinc/20/53/00/555205300.db2.gz XMJJRARVBBLPAY-WYMJOSIYSA-N 0 0 622.615 6.372 50 30 KKEARN CCCCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCCCCC)c3c(C)cccc3n2)nc2ccc(C)cc21 ZINC000103008680 555205473 /nfs/dbraw/zinc/20/54/73/555205473.db2.gz WHNNFGPXIHJICD-UHFFFAOYSA-N 0 0 624.866 10.882 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010657 555205888 /nfs/dbraw/zinc/20/58/88/555205888.db2.gz SMIBKTSINAPKCD-ICDZXHCJSA-N 0 0 543.019 5.087 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010678 555205933 /nfs/dbraw/zinc/20/59/33/555205933.db2.gz WRMQONJDHZPYRJ-ICDZXHCJSA-N 0 0 561.009 5.226 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103011769 555206437 /nfs/dbraw/zinc/20/64/37/555206437.db2.gz LPZWASJGDVNTTC-ICDZXHCJSA-N 0 0 594.561 5.592 50 30 KKEARN CCCCCCCCS(=O)(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000103013439 555207652 /nfs/dbraw/zinc/20/76/52/555207652.db2.gz DRVNODGIQKUFGI-UHFFFAOYSA-N 0 0 500.753 5.449 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103014866 555208550 /nfs/dbraw/zinc/20/85/50/555208550.db2.gz UWDIUNOSTYFJKW-NQHRYMMQSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015316 555208633 /nfs/dbraw/zinc/20/86/33/555208633.db2.gz AOPGMLGGPIJPBV-BUUDZMLXSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015342 555208642 /nfs/dbraw/zinc/20/86/42/555208642.db2.gz UASSYQUYVCHVDY-RMUDUWAUSA-N 0 0 619.671 5.631 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103014940 555208710 /nfs/dbraw/zinc/20/87/10/555208710.db2.gz IOLVEWWKWXAFOF-FTBPSBKWSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000103015584 555208895 /nfs/dbraw/zinc/20/88/95/555208895.db2.gz FCIUIFVNXFMSJY-AGILITTLSA-N 0 0 612.535 5.977 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@H](C(=O)OCC)c3cc(OC)ccc3OC)C2)cc1 ZINC000103016959 555209776 /nfs/dbraw/zinc/20/97/76/555209776.db2.gz ABFAPNWMYHYEOV-IRYADYCUSA-N 0 0 523.670 6.074 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cc4ccccc4s3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103022226 555213312 /nfs/dbraw/zinc/21/33/12/555213312.db2.gz LQEPPIBYDCOXKT-SSEXGKCCSA-N 0 0 550.728 6.089 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103022046 555213374 /nfs/dbraw/zinc/21/33/74/555213374.db2.gz LFXDCPDSPDXMSQ-VHSZZVNMSA-N 0 0 530.602 5.675 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022466 555213656 /nfs/dbraw/zinc/21/36/56/555213656.db2.gz MLPZCJOKPVCFRF-UHMYUZELSA-N 0 0 551.567 5.466 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022730 555213677 /nfs/dbraw/zinc/21/36/77/555213677.db2.gz CYJRWCWVWDZWNL-DVHCVUMVSA-N 0 0 583.584 6.206 50 30 KKEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000103026511 555216300 /nfs/dbraw/zinc/21/63/00/555216300.db2.gz HMFZETMVTLFWTK-FJOMVMCCSA-N 0 0 506.071 6.111 50 30 KKEARN N#Cc1cccc(C(=O)N2CCN(C[C@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000103030501 555218637 /nfs/dbraw/zinc/21/86/37/555218637.db2.gz SITRLGHTRFNHQE-SANMLTNESA-N 0 0 527.974 5.946 50 30 KKEARN CCCCCCn1c2ccccc2nc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000103031770 555219636 /nfs/dbraw/zinc/21/96/36/555219636.db2.gz LNZXAVPWZQCSNW-VKSGZUQPSA-N 0 0 525.700 8.723 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103035084 555222327 /nfs/dbraw/zinc/22/23/27/555222327.db2.gz ZLNBGGWIFTUMGB-UHFFFAOYSA-N 0 0 560.006 5.520 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@H]3c1cccc(C(F)(F)F)c1 ZINC000103041397 555225294 /nfs/dbraw/zinc/22/52/94/555225294.db2.gz NKMGYCVKMYKWOO-DEOSSOPVSA-N 0 0 536.447 7.141 50 30 KKEARN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000103067852 555248278 /nfs/dbraw/zinc/24/82/78/555248278.db2.gz PWSXQWUWMJAAQD-SSEXGKCCSA-N 0 0 538.051 6.773 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(F)cc1C(F)(F)F)[C@@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000103074279 555254152 /nfs/dbraw/zinc/25/41/52/555254152.db2.gz GDFWYGBKSYEDSG-MUUNZHRXSA-N 0 0 602.506 8.401 50 30 KKEARN CC(C)(C)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000103079585 555258130 /nfs/dbraw/zinc/25/81/30/555258130.db2.gz MJVNFYMOUQBQBP-FXBPSFAMSA-N 0 0 535.669 7.138 50 30 KKEARN COc1ccc(-c2cc(C(=O)OCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)c3ccccc3n2)cc1OC ZINC000103096069 555274160 /nfs/dbraw/zinc/27/41/60/555274160.db2.gz KPJFEAZLFBEGCG-OCSSWDANSA-N 0 0 522.601 5.956 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000103098765 555275933 /nfs/dbraw/zinc/27/59/33/555275933.db2.gz IYIHFUFPCSAJRZ-AREMUKBSSA-N 0 0 543.988 6.808 50 30 KKEARN CCSc1ncccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000103101392 555278907 /nfs/dbraw/zinc/27/89/07/555278907.db2.gz KTCHWKGLTREPLB-UHFFFAOYSA-N 0 0 566.683 5.222 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000103103345 555280992 /nfs/dbraw/zinc/28/09/92/555280992.db2.gz SKPQJSOCICRITL-SFHVURJKSA-N 0 0 540.755 5.773 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103104165 555281563 /nfs/dbraw/zinc/28/15/63/555281563.db2.gz QPLCCAWYRDMBHC-LJAQVGFWSA-N 0 0 563.529 6.181 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000103107920 555283857 /nfs/dbraw/zinc/28/38/57/555283857.db2.gz CEQZLXGTZOXETM-UHFFFAOYSA-N 0 0 505.365 6.072 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc4cc(Cl)ccc4o3)cc2)c1 ZINC000103109679 555284735 /nfs/dbraw/zinc/28/47/35/555284735.db2.gz KQYJKACFPCYLBY-HCGNOCCLSA-N 0 0 530.049 6.860 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103111176 555285508 /nfs/dbraw/zinc/28/55/08/555285508.db2.gz QBLUFQCDMTZQPY-MFKUBSTISA-N 0 0 518.953 5.517 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)C[C@H]1C ZINC000103121678 555290756 /nfs/dbraw/zinc/29/07/56/555290756.db2.gz GUJRUAKCUFBOEW-ILKOZQMQSA-N 0 0 641.812 8.154 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000103124573 555292290 /nfs/dbraw/zinc/29/22/90/555292290.db2.gz URDINEIRMPJPSK-UHFFFAOYSA-N 0 0 513.151 7.987 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl ZINC000103126497 555294607 /nfs/dbraw/zinc/29/46/07/555294607.db2.gz FJABQVIEDLTQJJ-UHFFFAOYSA-N 0 0 589.113 6.107 50 30 KKEARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103128335 555296518 /nfs/dbraw/zinc/29/65/18/555296518.db2.gz FSQDEXOVPQPHHN-SSEXGKCCSA-N 0 0 604.688 5.832 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Br)c1 ZINC000103129536 555298257 /nfs/dbraw/zinc/29/82/57/555298257.db2.gz XPOFCAYEHKVUCN-GVXSCFBNSA-N 0 0 568.464 5.172 50 30 KKEARN COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103132319 555301747 /nfs/dbraw/zinc/30/17/47/555301747.db2.gz UQEZSQZUKMOUKC-UHFFFAOYSA-N 0 0 539.539 5.476 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(SC(F)(F)F)cc1)C[C@@](C#N)(c1ccccc1)CC2 ZINC000103134215 555303739 /nfs/dbraw/zinc/30/37/39/555303739.db2.gz PFOYKQIGTKNPBE-VWLOTQADSA-N 0 0 530.593 6.739 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1Cl ZINC000103137428 555307423 /nfs/dbraw/zinc/30/74/23/555307423.db2.gz DNWBKBRPVOJYLX-UHFFFAOYSA-N 0 0 595.048 6.448 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000103138667 555308663 /nfs/dbraw/zinc/30/86/63/555308663.db2.gz YVQJJVMNPIIRLP-QHCPKHFHSA-N 0 0 561.881 7.322 50 30 KKEARN N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc([N+](=O)[O-])cc1 ZINC000103139110 555308884 /nfs/dbraw/zinc/30/88/84/555308884.db2.gz PPXYFOOJYWBNGV-CAPFRKAQSA-N 0 0 518.529 5.687 50 30 KKEARN C=CCn1c(SCC(=O)C(C(=O)OC)=C2Nc3ccccc3N2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000103141530 555311102 /nfs/dbraw/zinc/31/11/02/555311102.db2.gz DTXDIQPXZVWASY-UHFFFAOYSA-N 0 0 544.658 5.203 50 30 KKEARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000103197448 555335474 /nfs/dbraw/zinc/33/54/74/555335474.db2.gz XQSUQEDOTLGPQQ-XMMPIXPASA-N 0 0 574.685 6.028 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCCCC)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000103230450 555341965 /nfs/dbraw/zinc/34/19/65/555341965.db2.gz OAHONWLSPXSFTE-NDEPHWFRSA-N 0 0 561.811 8.785 50 30 KKEARN CCCCCCCCCC(=O)N1CCN(c2nc([C@@H](C)CCC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000103431156 555413240 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CCOc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OCc1ccccc1Cl ZINC000103558737 555447160 /nfs/dbraw/zinc/44/71/60/555447160.db2.gz AQDMVNJOHWXKGV-FMFFXOCNSA-N 0 0 540.088 8.554 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(=NNc2ccc([N+](=O)[O-])cc2)C=C1 ZINC000103561373 555449018 /nfs/dbraw/zinc/44/90/18/555449018.db2.gz OHHICQPUQDFJLP-QNEJGDQOSA-N 0 0 525.690 9.883 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OC)c1C ZINC000103619861 555456591 /nfs/dbraw/zinc/45/65/91/555456591.db2.gz OWAYTBVFEYOOIV-UHFFFAOYSA-N 0 0 616.396 6.002 50 30 KKEARN O=S(=O)(Oc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000103720869 555464994 /nfs/dbraw/zinc/46/49/94/555464994.db2.gz QRZAFZKWHQEDSO-NDZAJKAJSA-N 0 0 546.073 7.344 50 30 KKEARN Clc1ccc(-c2sc(N=NCc3ccc(OCc4ccccc4Cl)cc3)nc2-c2ccccc2)cc1 ZINC000103720877 555465100 /nfs/dbraw/zinc/46/51/00/555465100.db2.gz YKYRIPPRNZEDDF-KCSSXMTESA-N 0 0 530.480 8.809 50 30 KKEARN C=C(C)[C@@H]1CC[C@@]2(COC(=O)/C=C/c3ccccc3)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253502587 560037886 /nfs/dbraw/zinc/03/78/86/560037886.db2.gz LXCNPSDULNZQOW-UWBCFOABSA-N 0 0 572.874 9.262 50 30 biogenic,in-vitro KKEARN C[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000095560835 562763205 /nfs/dbraw/zinc/76/32/05/562763205.db2.gz INFRINHJJXRZQY-ZUHNFXNMSA-N 0 0 518.742 6.929 50 30 KKEARN O=C(NCc1ccccc1)c1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000104430753 562825150 /nfs/dbraw/zinc/82/51/50/562825150.db2.gz LMCOHAHBMNTOOR-WWIWEHRJSA-N 0 0 547.634 5.003 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000163930500 562849508 /nfs/dbraw/zinc/84/95/08/562849508.db2.gz QKENRHXGDUPTEM-GJPGBQJBSA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN C=CCc1ccccc1OCCn1c(C)c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21 ZINC000100734241 571361133 /nfs/dbraw/zinc/36/11/33/571361133.db2.gz DYMNKJGHOKULBI-YFHAGUHOSA-N 0 0 537.567 5.939 50 30 KKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1=O ZINC000103846777 571363551 /nfs/dbraw/zinc/36/35/51/571363551.db2.gz RQDYMFQTMFYSNC-LPYMAVHISA-N 0 0 522.026 5.117 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000103848710 571364075 /nfs/dbraw/zinc/36/40/75/571364075.db2.gz NYRUARPSWJMWGH-LFVJCYFKSA-N 0 0 534.033 6.089 50 30 KKEARN COc1cc(/C=C\C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)cc(Br)c1OC ZINC000103862047 571367557 /nfs/dbraw/zinc/36/75/57/571367557.db2.gz XIGRPCPWJXQFCB-XFXZXTDPSA-N 0 0 567.277 7.649 50 30 KKEARN N#CC1(C#N)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000103880724 571368532 /nfs/dbraw/zinc/36/85/32/571368532.db2.gz GBDHPYDFFZZLEP-VYOWOUGHSA-N 0 0 539.035 6.561 50 30 KKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1cccc(Cl)c1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000103958189 571370410 /nfs/dbraw/zinc/37/04/10/571370410.db2.gz MYPCADHMPOBNPS-NRFANRHFSA-N 0 0 520.382 7.707 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(OC)c(COc4ccccc4F)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000103999648 571370960 /nfs/dbraw/zinc/37/09/60/571370960.db2.gz OYUPGKLTIMVIOD-UHFFFAOYSA-N 0 0 609.738 8.312 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000104061933 571372089 /nfs/dbraw/zinc/37/20/89/571372089.db2.gz ICYQHRXWZFNGLD-NBKNYSPXSA-N 0 0 585.489 6.604 50 30 KKEARN COC(=O)c1ccc(N=C(C)c2c(CSc3ccc(Cl)cc3)[n-]n(-c3nc4ccccc4s3)c2=O)cc1 ZINC000104137552 571374626 /nfs/dbraw/zinc/37/46/26/571374626.db2.gz UBSQMCMUPQSMTR-MUFRIFMGSA-N 0 0 549.077 7.061 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000104159644 571375645 /nfs/dbraw/zinc/37/56/45/571375645.db2.gz HAPYFAZTQOKRRB-SSEXGKCCSA-N 0 0 518.613 7.314 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ZINC000113480396 571438861 /nfs/dbraw/zinc/43/88/61/571438861.db2.gz XSEJQRGSZGBIEZ-CVYRBCPQSA-N 0 0 551.756 8.301 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113560463 571439990 /nfs/dbraw/zinc/43/99/90/571439990.db2.gz RSEGKHUQDXSYLQ-ISLYRVAYSA-N 0 0 587.726 8.431 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccccc4Br)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560921 571440019 /nfs/dbraw/zinc/44/00/19/571440019.db2.gz FRUDASVXXUIQNQ-LUFJGRFYSA-N 0 0 598.482 5.367 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SC(C)(C)C(=O)Nc3ccc(OC)c(Cl)c3)c2C#N)cc1 ZINC000113561768 571440297 /nfs/dbraw/zinc/44/02/97/571440297.db2.gz WRCBMAQGJQLFDJ-UHFFFAOYSA-N 0 0 544.076 7.467 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3cccc(F)c3)c12 ZINC000113562401 571440410 /nfs/dbraw/zinc/44/04/10/571440410.db2.gz DVIMLWCUAUUQDE-CCEZHUSRSA-N 0 0 610.135 9.215 50 30 KKEARN N#Cc1c(N)nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c1-c1cccs1 ZINC000113562688 571440465 /nfs/dbraw/zinc/44/04/65/571440465.db2.gz QDUASLNYVJHPMC-MDZDMXLPSA-N 0 0 527.656 6.271 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113563262 571440479 /nfs/dbraw/zinc/44/04/79/571440479.db2.gz QRZWXRFWVLVXOK-AWXSUDRSSA-N 0 0 601.753 8.373 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113563264 571440527 /nfs/dbraw/zinc/44/05/27/571440527.db2.gz QRZWXRFWVLVXOK-KIYMODEPSA-N 0 0 601.753 8.373 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113563880 571440603 /nfs/dbraw/zinc/44/06/03/571440603.db2.gz PQIOSUJPFMSOHM-SDFCAVLBSA-N 0 0 620.199 9.326 50 30 KKEARN O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113563991 571440731 /nfs/dbraw/zinc/44/07/31/571440731.db2.gz NMECVLBIIZTFRJ-BJFJQTCSSA-N 0 0 624.615 6.357 50 30 KKEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1[C@H](C[N+](=O)[O-])C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913395 571443643 /nfs/dbraw/zinc/44/36/43/571443643.db2.gz SXJXXDFKTCCRQQ-YSTCYKFISA-N 0 0 555.632 5.734 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCCC3)C2=O)c2ccccc21)NC1CCCC1 ZINC000223210597 571445581 /nfs/dbraw/zinc/44/55/81/571445581.db2.gz PYCCOVYHYCBNFW-OSPJATLRSA-N 0 0 540.733 7.027 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000136676665 571449679 /nfs/dbraw/zinc/44/96/79/571449679.db2.gz NZAJAIHYBJZJLJ-QSJUQBOOSA-N 0 0 574.762 9.054 50 30 KKEARN COc1ccc(C=CC(=O)[C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@@H]2c2ccccc2)c(Br)c1OC ZINC000136697699 571449773 /nfs/dbraw/zinc/44/97/73/571449773.db2.gz OSUJTIBCMPTRBQ-CAPNLICMSA-N 0 0 537.366 5.357 50 30 KKEARN CCCOc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c1 ZINC000136992118 571449960 /nfs/dbraw/zinc/44/99/60/571449960.db2.gz SZGBPETZBZZNGB-UHFFFAOYSA-N 0 0 608.579 7.292 50 30 KKEARN O=C(c1ccc(C#Cc2ccc(-c3ccccc3)cc2)cc1)c1ccc(C#Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000137065719 571450192 /nfs/dbraw/zinc/45/01/92/571450192.db2.gz OCPMZWBKGPOPED-UHFFFAOYSA-N 0 0 534.658 9.051 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000150339561 571457523 /nfs/dbraw/zinc/45/75/23/571457523.db2.gz PFHKMSDXCFSBJS-ROJLCIKYSA-N 0 0 658.832 7.405 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150340135 571457712 /nfs/dbraw/zinc/45/77/12/571457712.db2.gz XCSZRHBSQLYKOK-DOAVWBMOSA-N 0 0 842.136 8.707 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000150341873 571458324 /nfs/dbraw/zinc/45/83/24/571458324.db2.gz GZMIZPXGSWXSQL-UHFFFAOYSA-N 0 0 662.937 10.339 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344126 571459240 /nfs/dbraw/zinc/45/92/40/571459240.db2.gz MEXQRXXROOSHGK-AZONPQKDSA-N 0 0 950.120 11.001 50 30 KKEARN O=C(Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1ccccc1Br ZINC000150346796 571460685 /nfs/dbraw/zinc/46/06/85/571460685.db2.gz BGGYYKUMYYFKQP-UHFFFAOYSA-N 0 0 626.163 7.760 50 30 KKEARN FC(F)C(F)(F)COP1(OCC(F)(F)C(F)F)=NP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)=NP(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)=N1 ZINC000150349223 571461489 /nfs/dbraw/zinc/46/14/89/571461489.db2.gz WAVNXLRSYAMQNY-UHFFFAOYSA-N 0 0 921.231 11.341 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNc1cccnc1)C(=O)C(=O)C3C(C)C)C(=CNc1cccnc1)C(=O)C(=O)C2C(C)C ZINC000150349513 571461508 /nfs/dbraw/zinc/46/15/08/571461508.db2.gz ITNHUUOKXSRBTQ-HJTNQMAYSA-N 0 0 670.766 8.093 50 30 biogenic KKEARN O=C(Oc1c(Br)cc(/C=N/c2ccc(Br)cc2)cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150350717 571462039 /nfs/dbraw/zinc/46/20/39/571462039.db2.gz WZSCOPDANRKKHE-YSURURNPSA-N 0 0 628.027 6.760 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1C(=O)Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000150352015 571462360 /nfs/dbraw/zinc/46/23/60/571462360.db2.gz BENVPNAGBNSUDL-YXCHESFLSA-N 0 0 732.800 12.457 50 30 KKEARN CCC(=O)Oc1ccc(Cc2ccc(OC(=O)CC)c(C=NNc3ccc([N+](=O)[O-])cc3)c2)cc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000150352050 571462369 /nfs/dbraw/zinc/46/23/69/571462369.db2.gz BHDBEHRXNSCNJA-VQGAUUQYSA-N 0 0 638.637 6.617 50 30 KKEARN O=C(c1cnccc1N1CCCC1)N1CCC[C@H]1C(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353443 571462773 /nfs/dbraw/zinc/46/27/73/571462773.db2.gz LVJPWYSGCCTYAC-VWLOTQADSA-N 0 0 699.536 8.298 50 30 KKEARN Cc1cc(Cc2ccc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c(C)c2)ccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000150353421 571462796 /nfs/dbraw/zinc/46/27/96/571462796.db2.gz UNWSBVKWKWEKBB-CBLSGYJOSA-N 0 0 650.327 8.737 50 30 KKEARN O=c1[nH]c2ccc(Nc3nc4no[nH]c-4nc3=NN=Cc3cc(Br)cc(Br)c3OCc3ccccc3)cc2[nH]1 ZINC000150357888 571463501 /nfs/dbraw/zinc/46/35/01/571463501.db2.gz UIXCVRWYAGHRTQ-IPBVOBEMSA-N 0 0 651.279 5.476 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5nc(SCC(=O)NCc6ccccc6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000150359890 571463623 /nfs/dbraw/zinc/46/36/23/571463623.db2.gz JOVKMTNNXICHRK-DPNNOFEESA-N 0 0 671.851 8.523 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000150378184 571466656 /nfs/dbraw/zinc/46/66/56/571466656.db2.gz UIFVSWMCHRPZCR-TVRDQUJJSA-N 0 0 632.438 7.730 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000150384799 571468289 /nfs/dbraw/zinc/46/82/89/571468289.db2.gz RFHOVXJLKWHJPN-IEZKXTBUSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000150386110 571469224 /nfs/dbraw/zinc/46/92/24/571469224.db2.gz WKDODEUEOZOPKX-IWIPYMOSSA-N 0 0 696.390 8.119 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1C#N ZINC000150386602 571469353 /nfs/dbraw/zinc/46/93/53/571469353.db2.gz WTHIAZRNBZLHST-DANHRZQXSA-N 0 0 707.137 6.949 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@@H](c3ccc([C@H]4C5C(=O)CCCC5=Nc5nc(SCc6ccccn6)nn54)cc3)C12 ZINC000150388996 571471335 /nfs/dbraw/zinc/47/13/35/571471335.db2.gz FSQVOXRCRWAEJV-ACHIHNKUSA-N 0 0 700.854 6.288 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@H](Oc1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)Nc1ccccc1Cl ZINC000150389911 571472203 /nfs/dbraw/zinc/47/22/03/571472203.db2.gz CCPHGIDTXAYLIM-FAIXQHPJSA-N 0 0 750.373 10.823 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1Cl ZINC000150392370 571474596 /nfs/dbraw/zinc/47/45/96/571474596.db2.gz JFSQNBWWBQCNKS-PMERELPUSA-N 0 0 651.001 7.636 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4sc5c(c4c(=O)n3Cc3ccccc3)CC[C@@H](C(C)(C)CC)C5)sc2C1 ZINC000150393620 571475126 /nfs/dbraw/zinc/47/51/26/571475126.db2.gz LCXAYCUFQZTQDL-JWQCQUIFSA-N 0 0 687.013 9.252 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4sc5c(c4c(=O)n3Cc3ccccc3)CC[C@H](C(C)(C)CC)C5)sc2C1 ZINC000150393628 571475181 /nfs/dbraw/zinc/47/51/81/571475181.db2.gz LCXAYCUFQZTQDL-RPBOFIJWSA-N 0 0 687.013 9.252 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000150412006 571484245 /nfs/dbraw/zinc/48/42/45/571484245.db2.gz CCBKMXCQQCVUNM-HXUWFJFHSA-N 0 0 892.359 12.979 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000150415237 571485401 /nfs/dbraw/zinc/48/54/01/571485401.db2.gz ZGAUELUAJGRJHL-AQOUDTPCSA-N 0 0 684.830 7.000 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nc2sc(C)c(C)c2c1=O ZINC000150422178 571488082 /nfs/dbraw/zinc/48/80/82/571488082.db2.gz UKRZHIUQUWHUKS-UHFFFAOYSA-N 0 0 622.202 6.279 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150422311 571488292 /nfs/dbraw/zinc/48/82/92/571488292.db2.gz PRTSEJZMBODUFF-UHFFFAOYSA-N 0 0 691.375 8.216 50 30 KKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150422691 571488430 /nfs/dbraw/zinc/48/84/30/571488430.db2.gz HVZNMDGZBKJZNB-UHFFFAOYSA-N 0 0 707.333 7.951 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)c(N)c32)c1 ZINC000150425666 571489841 /nfs/dbraw/zinc/48/98/41/571489841.db2.gz RAAXVXBXKRWVRP-XDJHFCHBSA-N 0 0 653.804 9.502 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426885 571491203 /nfs/dbraw/zinc/49/12/03/571491203.db2.gz GFTKTQWWAQYFNS-JIYROHSKSA-N 0 0 662.577 6.631 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(C(=S)SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC(=S)N4C[C@H](C)C[C@H](C)C4)c(C#N)c3)cc2C#N)C1 ZINC000150427818 571491820 /nfs/dbraw/zinc/49/18/20/571491820.db2.gz QWQOXUKCBCQGKG-VPBXCIAMSA-N 0 0 707.029 6.890 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435621 571495605 /nfs/dbraw/zinc/49/56/05/571495605.db2.gz RXPCOCGRINZVLD-HYVCFMKYSA-N 0 0 640.714 6.166 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435675 571495817 /nfs/dbraw/zinc/49/58/17/571495817.db2.gz HVHKVIAFIOCFPO-XSYNSRRPSA-N 0 0 648.737 7.232 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435666 571495894 /nfs/dbraw/zinc/49/58/94/571495894.db2.gz GSOBFAFMGBUVGA-VDKPZLLLSA-N 0 0 636.701 7.363 50 30 KKEARN C=C(C)C(=O)Oc1ccccc1Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3OC(=O)C(=C)C)c(F)c2F)c(F)c1F ZINC000150438487 571497030 /nfs/dbraw/zinc/49/70/30/571497030.db2.gz ABBFJMBINMHJPS-UHFFFAOYSA-N 0 0 650.474 9.014 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150441389 571498590 /nfs/dbraw/zinc/49/85/90/571498590.db2.gz MBTWBXNHEUVLFF-IIMAJNMQSA-N 0 0 652.969 7.191 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445225 571500104 /nfs/dbraw/zinc/50/01/04/571500104.db2.gz CIXDOCCDZHMTLZ-VGZNNGDKSA-N 0 0 654.741 6.556 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150445472 571500504 /nfs/dbraw/zinc/50/05/04/571500504.db2.gz XTVCFUUUUOBNOQ-ZORLYMSLSA-N 0 0 644.746 7.060 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)NCCCCCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1CC=C ZINC000150447003 571501081 /nfs/dbraw/zinc/50/10/81/571501081.db2.gz KRSHDPBGYBCIRC-UHFFFAOYSA-N 0 0 797.066 7.613 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450746 571502537 /nfs/dbraw/zinc/50/25/37/571502537.db2.gz WAUYJCKSLLJLNR-WOHWVRMTSA-N 0 0 642.462 5.052 50 30 KKEARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(Oc4cccc(Cl)c4C#N)cc3)CC2)cc1OC ZINC000150453114 571503432 /nfs/dbraw/zinc/50/34/32/571503432.db2.gz NLWVNGUUECKPGZ-UHFFFAOYSA-N 0 0 646.129 5.027 50 30 KKEARN O=C1C(Nc2ccc(Br)cc2)=C(n2nnc3ccccc32)C(=O)C(Nc2ccc(Br)cc2)=C1n1nnc2ccccc21 ZINC000150454217 571503952 /nfs/dbraw/zinc/50/39/52/571503952.db2.gz CUHFCXZBLFMLTF-UHFFFAOYSA-N 0 0 682.336 6.114 50 30 KKEARN Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)OC[C@@H]1CO1 ZINC000150456519 571504482 /nfs/dbraw/zinc/50/44/82/571504482.db2.gz NJMACWYRAGHGGG-JOCHJYFZSA-N 0 0 762.134 9.437 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150457806 571505318 /nfs/dbraw/zinc/50/53/18/571505318.db2.gz NQMFODSZYHMXAP-JCFDXWILSA-N 0 0 634.710 6.898 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460274 571505858 /nfs/dbraw/zinc/50/58/58/571505858.db2.gz JIBTYEHTTBGWEJ-QJGFIUGVSA-N 0 0 646.762 6.568 50 30 KKEARN CCCCCCCCCC[C@@H]1CSC2=C(SC(=C3c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4-c4c3cc([N+](=O)[O-])cc4[N+](=O)[O-])S2)S1 ZINC000150463887 571507481 /nfs/dbraw/zinc/50/74/81/571507481.db2.gz WTECGCDXBSZCAM-GOSISDBHSA-N 0 0 676.820 10.003 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466721 571508073 /nfs/dbraw/zinc/50/80/73/571508073.db2.gz NDVKOHRAFCYAJZ-PZBBWXJNSA-N 0 0 632.738 7.450 50 30 KKEARN O[C@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000150472645 571509954 /nfs/dbraw/zinc/50/99/54/571509954.db2.gz OHTAMDGCFANJHW-LBPRGKRZSA-N 0 0 631.127 7.165 50 30 KKEARN Cc1cccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4cccc(C)c4C)C(=O)C(=O)C5C(C)C)c(O)c32)c1C ZINC000150473978 571510381 /nfs/dbraw/zinc/51/03/81/571510381.db2.gz CATWIKIREQNSGK-CDSIFPFTSA-N 0 0 724.898 10.537 50 30 KKEARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@H](C)C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3)o2)cc1 ZINC000150483365 571514027 /nfs/dbraw/zinc/51/40/27/571514027.db2.gz NLGBBZUXAKHYCL-AEQODMDJSA-N 0 0 700.886 8.842 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(F)cc3F)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000150483902 571514581 /nfs/dbraw/zinc/51/45/81/571514581.db2.gz OLDFFHBXEQJNPR-FYWRMAATSA-N 0 0 623.706 8.709 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc(OC)c1OC ZINC000150484340 571514730 /nfs/dbraw/zinc/51/47/30/571514730.db2.gz FYCJCUJGGJFKAX-KXKTWFEWSA-N 0 0 661.805 8.390 50 30 KKEARN COc1cccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000150484346 571514803 /nfs/dbraw/zinc/51/48/03/571514803.db2.gz JDFZTECWUACLPW-VHEBQXMUSA-N 0 0 637.786 9.584 50 30 KKEARN COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)c1 ZINC000150484361 571514925 /nfs/dbraw/zinc/51/49/25/571514925.db2.gz UIGAJGWZLZMXID-QWYDYZLZSA-N 0 0 669.750 9.392 50 30 KKEARN C[C@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(F)c2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484752 571515319 /nfs/dbraw/zinc/51/53/19/571515319.db2.gz ZWTHBPAAKWWOCF-ANUWBXLYSA-N 0 0 624.162 9.157 50 30 KKEARN N#C[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1ccc(Cl)cc1 ZINC000150493402 571517360 /nfs/dbraw/zinc/51/73/60/571517360.db2.gz FWXHKDJIPNDTJT-WPWWRBIVSA-N 0 0 702.681 11.419 50 30 KKEARN COc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[C@@](O)(c3ccc(Cl)cc3)C[C@@H](c3ccc(OC)cc3)[C@]2(C#N)c2ccccc2)cc1 ZINC000150493396 571517364 /nfs/dbraw/zinc/51/73/64/571517364.db2.gz RGESMLOVLVXCFK-OFXSLFESSA-N 0 0 662.613 9.130 50 30 KKEARN CCOc1cc(/C=C2\CC/C(=C\c3cc(I)c(OCC)c(OCC)c3)C2=O)cc(I)c1OCC ZINC000150509248 571519609 /nfs/dbraw/zinc/51/96/09/571519609.db2.gz DYQAHUZIWFCDQX-AYKLPDECSA-N 0 0 688.340 7.321 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150565062 571521211 /nfs/dbraw/zinc/52/12/11/571521211.db2.gz DFWGLDMQBSRTKG-GSASKQFNSA-N 0 0 632.742 5.224 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150640502 571524547 /nfs/dbraw/zinc/52/45/47/571524547.db2.gz GRFQNIODCMYPLE-URFJJRPFSA-N 0 0 667.585 5.588 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)c(Br)c3N2)cc1 ZINC000150655848 571526811 /nfs/dbraw/zinc/52/68/11/571526811.db2.gz GGRKOBNKNQEBMI-ZRCAFCQKSA-N 0 0 636.538 7.651 50 30 KKEARN CCCCCCCCCCCCOc1cc2c(=O)c3nsnc3c(=O)c2c2c1ccc1c(OCCCCCCCCCCCC)cc3c(=O)c4nsnc4c(=O)c3c12 ZINC000150662172 571527682 /nfs/dbraw/zinc/52/76/82/571527682.db2.gz HIOJOQJRPKHTBA-UHFFFAOYSA-N 0 0 823.094 11.225 50 30 KKEARN Ic1ccccc1/N=C/c1cc(/C=N/c2ccccc2I)cc(/C=N/c2ccccc2I)c1 ZINC000150662110 571527697 /nfs/dbraw/zinc/52/76/97/571527697.db2.gz IEDPEHLVTCVQIF-HZAPWMNRSA-N 0 0 765.174 8.752 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccnc1 ZINC000150662525 571527844 /nfs/dbraw/zinc/52/78/44/571527844.db2.gz CHVVQGHEFPJINB-WYMJOSIYSA-N 0 0 635.639 5.636 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@@H]2[C@H](C)C(=O)[C@H](OCOC)[C@H]3CC[C@@]4(O[C@@H]4[C@H]2S(=O)(=O)c2ccccc2)C3(C)C)COC(C)(C)O1 ZINC000150663707 571528295 /nfs/dbraw/zinc/52/82/95/571528295.db2.gz IIMNSQDIEBQEAY-LDLWLSAFSA-N 0 0 698.875 5.529 50 30 KKEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3c(Br)cc(Br)c(OC)c3Br)nc21 ZINC000152267732 571529314 /nfs/dbraw/zinc/52/93/14/571529314.db2.gz OCTJNHOMSBAZIM-UHFFFAOYSA-N 0 0 642.171 6.192 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OCC)c(OC)c3)C2=O)c1 ZINC000158653787 571529636 /nfs/dbraw/zinc/52/96/36/571529636.db2.gz MCUJTTOGWCLEST-MTDXEUNCSA-N 0 0 689.734 5.960 50 30 KKEARN Cc1ccccc1NC(=O)C1=Cc2ccccc2C(=CNc2c(Cl)cccc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C1=O ZINC000161285178 571530909 /nfs/dbraw/zinc/53/09/09/571530909.db2.gz NPFBCKBTYWQRDB-RGEXLXHISA-N 0 0 646.968 7.270 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163816321 571543284 /nfs/dbraw/zinc/54/32/84/571543284.db2.gz NOCLWIPRQIWFMR-XXSLJMRWSA-N 0 0 784.100 9.164 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163962848 571543873 /nfs/dbraw/zinc/54/38/73/571543873.db2.gz XCSZRHBSQLYKOK-CDGOZMSNSA-N 0 0 842.136 8.707 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000169618324 571554045 /nfs/dbraw/zinc/55/40/45/571554045.db2.gz ZWZFGQHGSRWQTE-JIVLHQBOSA-N 0 0 539.035 6.435 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000169619811 571554158 /nfs/dbraw/zinc/55/41/58/571554158.db2.gz IZLLPMLNHRTFFU-HNJNHCNJSA-N 0 0 612.541 7.704 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000169680848 571556835 /nfs/dbraw/zinc/55/68/35/571556835.db2.gz LLAKSFSLKQISBF-YUDQIZAISA-N 0 0 525.759 5.514 50 30 KKEARN CCCCCCCCCCCC[Si]1(CCCCCCCCCCCC)c2ccccc2-c2ccccc21 ZINC000169818483 571561184 /nfs/dbraw/zinc/56/11/84/571561184.db2.gz PCAFDTAXYMFLAD-UHFFFAOYSA-N 0 0 518.946 11.072 50 30 KKEARN O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@@](F)(C(F)(F)F)O[C@](F)(C(F)(F)F)C1(F)F ZINC000198696151 571568272 /nfs/dbraw/zinc/56/82/72/571568272.db2.gz VWRYGZVLKQUPFI-HZPDHXFCSA-N 0 0 592.283 6.984 50 30 KKEARN COc1ccc(-c2ccc(OC(=O)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000198696225 571568299 /nfs/dbraw/zinc/56/82/99/571568299.db2.gz XFJNDWIOCZZQMN-UHFFFAOYSA-N 0 0 507.280 5.564 50 30 KKEARN N#Cc1ccc(NC(=O)C(=O)C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccccc3)CC2=O)c([N+](=O)[O-])c1 ZINC000198728628 571568776 /nfs/dbraw/zinc/56/87/76/571568776.db2.gz HTFYKRPXTLMHFP-FQEVSTJZSA-N 0 0 535.438 5.052 50 30 KKEARN N=C1O[C@H](c2ccc([C@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000198725864 571568890 /nfs/dbraw/zinc/56/88/90/571568890.db2.gz HCBZHEUGOSKSSC-NUJCDNCPSA-N 0 0 660.742 7.656 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)c1 ZINC000215706966 571585017 /nfs/dbraw/zinc/58/50/17/571585017.db2.gz XHVADSNRQJAFIH-UHFFFAOYSA-N 0 0 520.536 6.440 50 30 KKEARN CC(=O)N1CCc2c(C#N)c(NC(=O)CSc3cccc(/N=C/c4cccnc4Cl)c3)sc2C1 ZINC000215719685 571585187 /nfs/dbraw/zinc/58/51/87/571585187.db2.gz UVPCXNSSTBHBSV-KVSWJAHQSA-N 0 0 510.044 5.054 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3/N=C/c3cccnc3Cl)c3ccccc3)sc2C1 ZINC000215720444 571585352 /nfs/dbraw/zinc/58/53/52/571585352.db2.gz QJOHLMDFERVVIX-XPUGJJPNSA-N 0 0 557.144 8.016 50 30 KKEARN COc1ccc(-c2cc(-c3cccc(C)c3)c(C#N)c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000215735275 571585661 /nfs/dbraw/zinc/58/56/61/571585661.db2.gz RECQYPOSXAWSLE-UHFFFAOYSA-N 0 0 549.574 7.234 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H](OC(C)=O)[C@@H]([C@@]23CC[C@@H](C[C@H]2OC(C)=O)C3(C)C)S(=O)(=O)c2ccccc2)COC(C)(C)O1 ZINC000216533662 571597729 /nfs/dbraw/zinc/59/77/29/571597729.db2.gz ONJFTOBFUWLCRF-PASDMBDGSA-N 0 0 684.848 5.820 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000217617933 571601834 /nfs/dbraw/zinc/60/18/34/571601834.db2.gz JWADKNUJUWHQMN-ZYKLXPEUSA-N 0 0 553.677 5.259 50 30 KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(OCCc5ccc6c(c5)CCO6)cc3)CC(=O)O4)C2=O)c1OC ZINC000217969996 571602762 /nfs/dbraw/zinc/60/27/62/571602762.db2.gz WHNZMUJENNPELC-VGBOAXCZSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3ccc4c(c31)O/C(=C\c1cccc(OC)c1OC)C4=O)c(=O)n2CC(C)C ZINC000217981463 571603074 /nfs/dbraw/zinc/60/30/74/571603074.db2.gz NSICNGNGPNBYMH-FJLJVCJUSA-N 0 0 581.621 5.741 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)c1OC ZINC000218124508 571603752 /nfs/dbraw/zinc/60/37/52/571603752.db2.gz PJDDNSRQOCYBFI-LLLIGWKVSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000225217396 571658974 /nfs/dbraw/zinc/65/89/74/571658974.db2.gz XIZUREWRCCOBEC-LCQQBMRFSA-N 0 0 602.441 5.690 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000261492429 572110394 /nfs/dbraw/zinc/11/03/94/572110394.db2.gz XQEGNJRCYISSOX-DXZMIWRRSA-N 0 0 528.774 6.721 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000263584900 572115978 /nfs/dbraw/zinc/11/59/78/572115978.db2.gz BXWVPZDVLUAWRX-GDLZYMKVSA-N 0 0 513.682 7.162 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000263585084 572116493 /nfs/dbraw/zinc/11/64/93/572116493.db2.gz DXSPEPKHQCMJID-NIHGUFKWSA-N 0 0 521.569 5.723 50 30 KKEARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3cc(OC)c(OC)cc3OC)C5=O)c(=O)[nH]c2c1 ZINC000263585450 572118692 /nfs/dbraw/zinc/11/86/92/572118692.db2.gz ITUZLFVORDADMQ-JYYMDEETSA-N 0 0 555.539 5.032 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(OCc4nccn4C)cc2)CC(=O)O3)C1=O ZINC000263585441 572118869 /nfs/dbraw/zinc/11/88/69/572118869.db2.gz INVOBXJQXRQFFE-OOEUXUOGSA-N 0 0 508.530 5.065 50 30 KKEARN COc1cc(/C=C2\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263586344 572122969 /nfs/dbraw/zinc/12/29/69/572122969.db2.gz SUCSPWRCLXKETH-RCAFHROTSA-N 0 0 512.514 5.197 50 30 KKEARN Cc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc4c(c3)OCCO4)C5=O)c(=O)[nH]c2c1 ZINC000263586489 572123706 /nfs/dbraw/zinc/12/37/06/572123706.db2.gz UYSCWXUNRJQVFV-VPCUTTBHSA-N 0 0 507.498 5.077 50 30 KKEARN COc1cc(C=C2Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263586528 572123736 /nfs/dbraw/zinc/12/37/36/572123736.db2.gz VHCPBCQLAPOQGY-NLIBPXKJSA-N 0 0 525.513 5.023 50 30 KKEARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000226073758 572127013 /nfs/dbraw/zinc/12/70/13/572127013.db2.gz XUALLDIAIIKNEC-JGCGQSQUSA-N 0 0 528.700 7.897 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1 ZINC000226073924 572127442 /nfs/dbraw/zinc/12/74/42/572127442.db2.gz RGFKHWGSRVKPLN-UDNBHOFDSA-N 0 0 514.673 7.392 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)C1 ZINC000226074209 572127472 /nfs/dbraw/zinc/12/74/72/572127472.db2.gz YWLABHUOLCHSHL-XZJHWRHTSA-N 0 0 590.771 8.963 50 30 KKEARN CCCCCCCCCCCCCCc1sc(NC(=O)c2c(O)nc3ccccc3c2O)nc1-c1ccccc1 ZINC000299738182 572133435 /nfs/dbraw/zinc/13/34/35/572133435.db2.gz GXKNTIVEUMXIMM-UHFFFAOYSA-N 0 0 559.776 9.265 50 30 KKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000226622673 572139167 /nfs/dbraw/zinc/13/91/67/572139167.db2.gz HGZPNLFIVPZARE-WKRVVKTRSA-N 0 0 511.021 7.516 50 30 KKEARN O=C1/C(=N\c2ccc(/N=C3/c4ccccc4N(CN4CCN(Cc5ccccc5)CC4)C3=O)cc2)c2ccccc2N1CN1CCN(Cc2ccccc2)CC1 ZINC000226761491 572140455 /nfs/dbraw/zinc/14/04/55/572140455.db2.gz PSWRQKDUKFVDAN-CMNCGKLHSA-N 0 0 742.928 6.172 50 30 KKEARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)C3C=CC(=NC(=O)[C@@H](C)c4ccc(CC(C)C)cc4)C=C3)cc2)cc1 ZINC000334158577 572153442 /nfs/dbraw/zinc/15/34/42/572153442.db2.gz VUTVCSTWCKNGGB-IZLXSDGUSA-N 0 0 624.847 8.012 50 30 KKEARN CCCCCCCCN=C1N=C2C(C)=CC=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158438 572153468 /nfs/dbraw/zinc/15/34/68/572153468.db2.gz NYZVFFUYCRZXLJ-HNMIELQASA-N 0 0 548.756 5.201 50 30 KKEARN CCCCCCCCCOc1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000390834809 572155883 /nfs/dbraw/zinc/15/58/83/572155883.db2.gz BRLFNOKAFPGEDY-MLRFDNJJSA-N 0 0 516.766 8.735 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229857381 572161475 /nfs/dbraw/zinc/16/14/75/572161475.db2.gz RNNXPEVDLOTZDQ-CRJMXQGDSA-N 0 0 617.883 5.489 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229873179 572163684 /nfs/dbraw/zinc/16/36/84/572163684.db2.gz RLWDGICRUMATSI-RSYZFUPGSA-N 0 0 577.851 6.025 50 30 KKEARN CC(=O)C1=C(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]12 ZINC000229896776 572166502 /nfs/dbraw/zinc/16/65/02/572166502.db2.gz WBJBIUBQWVNGAH-CPFOYLMMSA-N 0 0 644.577 7.127 50 30 KKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000229895579 572166548 /nfs/dbraw/zinc/16/65/48/572166548.db2.gz LDVRSCVKOXAOLH-FLASPHMUSA-N 0 0 554.750 8.910 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@@H]21 ZINC000229941708 572172475 /nfs/dbraw/zinc/17/24/75/572172475.db2.gz ICYQHRXWZFNGLD-RRDYKFRHSA-N 0 0 585.489 6.604 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000229984527 572176486 /nfs/dbraw/zinc/17/64/86/572176486.db2.gz BCVPMQSGIUGYGQ-WXGXSRQYSA-N 0 0 513.391 5.508 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000230033854 572180567 /nfs/dbraw/zinc/18/05/67/572180567.db2.gz SCIJCACZXIIDNH-NQHRYMMQSA-N 0 0 622.099 5.837 50 30 KKEARN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1CO ZINC000239165297 572191082 /nfs/dbraw/zinc/19/10/82/572191082.db2.gz NVZJFIYCLHWTBG-NGBRXVAQSA-N 0 0 506.598 6.103 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1cccc(C)c1 ZINC000239203483 572191890 /nfs/dbraw/zinc/19/18/90/572191890.db2.gz SLGQCMTVVDWISU-UUWRZZSWSA-N 0 0 604.728 5.882 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239297084 572193324 /nfs/dbraw/zinc/19/33/24/572193324.db2.gz DSOCIAZTFLTVEI-KGFIZIGJSA-N 0 0 825.208 10.556 50 30 KKEARN COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000239433306 572195958 /nfs/dbraw/zinc/19/59/58/572195958.db2.gz XMPWDVACIJMLCT-HNRCIZKASA-N 0 0 536.624 6.628 50 30 KKEARN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000245204320 572202013 /nfs/dbraw/zinc/20/20/13/572202013.db2.gz TWIDIEKBSUBYLV-ZUMHFNDYSA-N 0 0 506.675 6.923 50 30 KKEARN COc1ccc(Br)cc1/C=C1\C[C@@H](C(C)(C)C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000245226491 572203962 /nfs/dbraw/zinc/20/39/62/572203962.db2.gz ZJFUERLOQULAKO-OUFAVVDRSA-N 0 0 548.315 7.721 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)C[C@](O)(c2ccc3ccccc3c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000245228654 572205349 /nfs/dbraw/zinc/20/53/49/572205349.db2.gz AWMAHLVJOBJSFD-XIGUGZKKSA-N 0 0 735.833 8.368 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000245229214 572206754 /nfs/dbraw/zinc/20/67/54/572206754.db2.gz QKCSXRVQBKKBGD-RDCWZDOOSA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000245229499 572207046 /nfs/dbraw/zinc/20/70/46/572207046.db2.gz ZOGDNICMWMEEGH-ZQBSIFDSSA-N 0 0 557.690 7.035 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000245229498 572207117 /nfs/dbraw/zinc/20/71/17/572207117.db2.gz ZOGDNICMWMEEGH-SKYMCVQSSA-N 0 0 557.690 7.035 50 30 KKEARN C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@@H](CN(C[C@H]4C(=O)O[C@H]5C[C@@]6(C)CCCC(=C)[C@H]6C[C@@H]45)OC(C)=O)[C@H]3C[C@@H]12 ZINC000245237944 572211395 /nfs/dbraw/zinc/21/13/95/572211395.db2.gz MCCXNEZASUGBKE-IOWYRGKQSA-N 0 0 539.713 5.395 50 30 KKEARN CCCCCCCCCC[C@H](O)[C@@H]1CC=C2C(=O)N(c3ccccc3)C(=O)[C@H]2N1Nc1ccc([N+](=O)[O-])cc1 ZINC000245240065 572213574 /nfs/dbraw/zinc/21/35/74/572213574.db2.gz KVHGJAKTBPFFNV-LJWNLINESA-N 0 0 534.657 5.612 50 30 in-vitro KKEARN C[C@@H]1C[C@@H](C)CN(C(=S)SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC(=S)N4C[C@H](C)C[C@@H](C)C4)c(C#N)c3)cc2C#N)C1 ZINC000245240633 572214220 /nfs/dbraw/zinc/21/42/20/572214220.db2.gz QWQOXUKCBCQGKG-ZGFBMJKBSA-N 0 0 707.029 6.890 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000245257280 572222663 /nfs/dbraw/zinc/22/26/63/572222663.db2.gz YMVARBPKLQVWDO-YXXBLTNHSA-N 0 0 596.676 6.645 50 30 KKEARN N#C[C@@]1(C(N)=O)[C@@H]2C=Cc3cc(F)ccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000247708499 572243550 /nfs/dbraw/zinc/24/35/50/572243550.db2.gz HEUYJHKURFMFMC-AALWMKDKSA-N 0 0 506.364 5.378 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)C[C@](O)(c2ccc3ccccc3c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Br)cc1 ZINC000247822130 572245719 /nfs/dbraw/zinc/24/57/19/572245719.db2.gz ILUSSOSGMGCMHT-IWANFJPMSA-N 0 0 773.521 9.859 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc3ccccc3c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000247857394 572246621 /nfs/dbraw/zinc/24/66/21/572246621.db2.gz UTIKFJUWPWYULH-NAJRNDCESA-N 0 0 684.619 9.641 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000247909010 572249350 /nfs/dbraw/zinc/24/93/50/572249350.db2.gz JJWNXUCDOBOYGK-WSIFCSQYSA-N 0 0 612.682 6.250 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248026673 572252581 /nfs/dbraw/zinc/25/25/81/572252581.db2.gz GYNDNZJMZCWAOM-IEVQEWPMSA-N 0 0 586.486 5.457 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248056288 572252974 /nfs/dbraw/zinc/25/29/74/572252974.db2.gz BYUDPCLHQGHAGR-AYWVHJORSA-N 0 0 509.760 5.814 50 30 KKEARN COc1cc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]32)ccc1OCc1ccccc1 ZINC000248121190 572254265 /nfs/dbraw/zinc/25/42/65/572254265.db2.gz BCHAIUYJSRUPKR-KDICMVMXSA-N 0 0 579.678 5.261 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000248137261 572255149 /nfs/dbraw/zinc/25/51/49/572255149.db2.gz NOBDXYGCCIQULC-BRQNREJHSA-N 0 0 582.656 6.242 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)cc1 ZINC000248177530 572256404 /nfs/dbraw/zinc/25/64/04/572256404.db2.gz BCYPQFYUIWGDKQ-TXQUNOLYSA-N 0 0 573.443 5.400 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@H]3N3[C@H](c4ccc(OCCCCCCCC)cc4)[C@@H]4C(=O)NC(=O)[C@@H]4N23)cc1 ZINC000248240607 572256912 /nfs/dbraw/zinc/25/69/12/572256912.db2.gz DTWSMNPTOKCYFZ-GIUJWDCDSA-N 0 0 658.840 5.776 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CC[C@@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@H]43)C2)cc1 ZINC000248274647 572257761 /nfs/dbraw/zinc/25/77/61/572257761.db2.gz RNZDACWUXZHQMI-SQILGAJHSA-N 0 0 540.854 9.110 50 30 KKEARN CCCCCOc1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000249777849 572258836 /nfs/dbraw/zinc/25/88/36/572258836.db2.gz DLKCSDYHXHZBOE-AQTXKTINSA-N 0 0 502.739 9.317 50 30 KKEARN Cc1ccc(NC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@]3(C)C2)cc1 ZINC000252346856 572260140 /nfs/dbraw/zinc/26/01/40/572260140.db2.gz IOQDUGCPGORFQZ-XAFNKZARSA-N 0 0 573.862 8.665 50 30 KKEARN C[C@@H]1CCC[C@H](N2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)[C@H]1C ZINC000252383389 572260265 /nfs/dbraw/zinc/26/02/65/572260265.db2.gz VCISHJJEVWFBJA-ADFBJZBSSA-N 0 0 544.536 6.046 50 30 KKEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)N6CCCCCC6)CC[C@@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000252428101 572260500 /nfs/dbraw/zinc/26/05/00/572260500.db2.gz PWBAWFYUOJVDSJ-NUDAYEMTSA-N 0 0 593.893 8.301 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)Oc5ccccc5C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252438321 572260852 /nfs/dbraw/zinc/26/08/52/572260852.db2.gz ZMWGTNHAGAIBGN-BYWBBGDBSA-N 0 0 520.798 10.209 50 30 KKEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@@]4(C)[C@H]3CC[C@@]12C ZINC000252441468 572260999 /nfs/dbraw/zinc/26/09/99/572260999.db2.gz WXFMGCVRGSIXOB-RMRRKQRASA-N 0 0 560.772 5.451 50 30 KKEARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3c(F)cccc3Cl)C5=O)c(=O)[nH]c2c1 ZINC000252494176 572261708 /nfs/dbraw/zinc/26/17/08/572261708.db2.gz NNBKHXOLFJLVRV-IMQYADFFSA-N 0 0 517.896 5.799 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(Cl)c1 ZINC000252516229 572262203 /nfs/dbraw/zinc/26/22/03/572262203.db2.gz QPBSHGWNSSSRHW-UHFFFAOYSA-N 0 0 635.353 8.453 50 30 KKEARN Cn1c2cc(Br)c(Br)cc2nc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252589848 572266465 /nfs/dbraw/zinc/26/64/65/572266465.db2.gz ANYAOHANHVLTAY-UHFFFAOYSA-N 0 0 503.194 6.180 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(OC)cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252592410 572266787 /nfs/dbraw/zinc/26/67/87/572266787.db2.gz BFHJXUMEBPYBFR-MPWBYHIYSA-N 0 0 620.525 6.338 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000252593875 572266816 /nfs/dbraw/zinc/26/68/16/572266816.db2.gz BNUSXBSOMXEZHQ-BILWRWLNSA-N 0 0 527.580 6.111 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCCC3)n2)c1O ZINC000252596375 572267032 /nfs/dbraw/zinc/26/70/32/572267032.db2.gz CITDFDZTJHKXCC-UHFFFAOYSA-N 0 0 591.308 5.681 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(OC)c(OCC)cc2Br)SC1=Nc1ccc(OC)cc1 ZINC000252597979 572267148 /nfs/dbraw/zinc/26/71/48/572267148.db2.gz CWWGYBUXWVAMMY-NZBFAAGASA-N 0 0 505.434 5.879 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000252598417 572267155 /nfs/dbraw/zinc/26/71/55/572267155.db2.gz DACRMSQTWYGMNT-SKYIDQJDSA-N 0 0 501.402 5.102 50 30 KKEARN CC[C@@H]1SC(=NN=Cc2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O ZINC000252598706 572267164 /nfs/dbraw/zinc/26/71/64/572267164.db2.gz DCICQSFBACSAGE-IBGZPJMESA-N 0 0 611.337 5.464 50 30 KKEARN COc1cc(Br)cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252598248 572267192 /nfs/dbraw/zinc/26/71/92/572267192.db2.gz CYYJZIAUPIVEAT-CVFAJBOZSA-N 0 0 509.425 6.589 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2cc(OC)ccc2Br)C(=O)N1c1ccccc1CC ZINC000252599712 572267244 /nfs/dbraw/zinc/26/72/44/572267244.db2.gz DKLNXYNCOJPIAZ-DFLSCLMCSA-N 0 0 521.480 7.391 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000252599934 572267285 /nfs/dbraw/zinc/26/72/85/572267285.db2.gz 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O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252603764 572267635 /nfs/dbraw/zinc/26/76/35/572267635.db2.gz FTQLYKJBYARPGM-SPBRBOMPSA-N 0 0 521.686 7.657 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)SC1=Nc1ccccc1 ZINC000252603911 572267656 /nfs/dbraw/zinc/26/76/56/572267656.db2.gz FUHMMECVYBZMJU-FIMHLPJISA-N 0 0 559.223 5.010 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000252604792 572267702 /nfs/dbraw/zinc/26/77/02/572267702.db2.gz GDCOFMOQTFZTES-YTPPIKKOSA-N 0 0 520.654 7.387 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000252605862 572267752 /nfs/dbraw/zinc/26/77/52/572267752.db2.gz GNONIHNKAOJAFJ-DHXPHYCWSA-N 0 0 630.520 7.749 50 30 KKEARN Cc1cc(C)n(-c2nc(N=NCc3c(O)ccc4ccccc43)nc(Nc3ccc(Br)cc3)n2)n1 ZINC000252606846 572267926 /nfs/dbraw/zinc/26/79/26/572267926.db2.gz GWHZMUKUIHHJMQ-UHFFFAOYSA-N 0 0 529.402 5.485 50 30 KKEARN CCCCCCCCCCOc1ccc(N=C(C)C(C)=Nc2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000252608788 572268084 /nfs/dbraw/zinc/26/80/84/572268084.db2.gz HMWKAUBIUXQWOB-UHFFFAOYSA-N 0 0 548.856 11.611 50 30 KKEARN Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccc(OCCOc3ccc(C#N)cc3)cc2)cc1 ZINC000252609796 572268171 /nfs/dbraw/zinc/26/81/71/572268171.db2.gz HVJBODQGGIWHFI-UHFFFAOYSA-N 0 0 511.603 5.055 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(N(C)C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000252610071 572268189 /nfs/dbraw/zinc/26/81/89/572268189.db2.gz HYVYZNNZGZNGKH-WLRNLMOZSA-N 0 0 509.631 6.508 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4C#N)c(I)c3)SC2=Nc2ccccc2)cc1 ZINC000252610876 572268192 /nfs/dbraw/zinc/26/81/92/572268192.db2.gz IFHIAQRIZRTQBM-JHQSJRIHSA-N 0 0 783.429 8.159 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000252610579 572268215 /nfs/dbraw/zinc/26/82/15/572268215.db2.gz ICVMKMIIBQRYMX-UHFFFAOYSA-N 0 0 564.661 7.837 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1Cl ZINC000252611936 572268331 /nfs/dbraw/zinc/26/83/31/572268331.db2.gz IONROWMZBJSRCA-UHFFFAOYSA-N 0 0 536.080 5.539 50 30 KKEARN COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)nc(NCc3ccco3)[nH]2)cc1 ZINC000252612474 572268336 /nfs/dbraw/zinc/26/83/36/572268336.db2.gz IUDIZWOAUDJQNU-UHFFFAOYSA-N 0 0 550.406 6.842 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000252612209 572268349 /nfs/dbraw/zinc/26/83/49/572268349.db2.gz IQFLJFMTDIDSRY-XHKDLHGUSA-N 0 0 571.468 6.426 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccccc1 ZINC000252612933 572268401 /nfs/dbraw/zinc/26/84/01/572268401.db2.gz IXHADIPPPOHDFA-INFWBRORSA-N 0 0 688.631 9.202 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)c(OC)c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000252613420 572268405 /nfs/dbraw/zinc/26/84/05/572268405.db2.gz JAZUVPZHECJLDV-VIZRJVHBSA-N 0 0 543.870 6.924 50 30 KKEARN O=C(Oc1cccc(C=NN=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252615350 572268643 /nfs/dbraw/zinc/26/86/43/572268643.db2.gz JRJUJYCQLKRMQV-UHFFFAOYSA-N 0 0 628.466 5.211 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1c(C)cccc1C ZINC000252616987 572268819 /nfs/dbraw/zinc/26/88/19/572268819.db2.gz KJXZQSGHZMGVNA-RJPGGIPPSA-N 0 0 513.062 8.642 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C\c5occc5[N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252617164 572268844 /nfs/dbraw/zinc/26/88/44/572268844.db2.gz KNLBJCPWZRLLHA-XKKWKYJJSA-N 0 0 551.768 9.442 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3c4ccccc4cc4ccccc43)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252616951 572268849 /nfs/dbraw/zinc/26/88/49/572268849.db2.gz KJLJQHYWPMYJPY-IXXCDXLFSA-N 0 0 512.678 8.926 50 30 KKEARN Cc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000252616974 572268886 /nfs/dbraw/zinc/26/88/86/572268886.db2.gz KJVUMYJFHOGSDX-VWDNJRNHSA-N 0 0 571.703 6.386 50 30 KKEARN Cc1ccc(CSc2nc3ccc(N=Cc4ccc(I)cc4)cc3s2)c(C)c1 ZINC000252618850 572269114 /nfs/dbraw/zinc/26/91/14/572269114.db2.gz LKGRPAHAIGWGMO-UHFFFAOYSA-N 0 0 514.457 7.561 50 30 KKEARN O=c1c2c3c(sc2nc(NN=Cc2ccc(Cl)cc2)n1Cc1ccccc1)CN(Cc1ccccc1)CC3 ZINC000252618590 572269120 /nfs/dbraw/zinc/26/91/20/572269120.db2.gz LIBJBPQBPUHWSU-UHFFFAOYSA-N 0 0 540.092 6.164 50 30 KKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000252618827 572269163 /nfs/dbraw/zinc/26/91/63/572269163.db2.gz LKATYXGQENBKTH-DNKQEMHGSA-N 0 0 561.490 8.390 50 30 KKEARN CCn1c2ccccc2c2cc(N=C3S[C@@H](CC(=O)Nc4cc(Cl)ccc4C)C(=O)N3CC)ccc21 ZINC000252618423 572269166 /nfs/dbraw/zinc/26/91/66/572269166.db2.gz LGFVGNAQZTZZHA-VWLOTQADSA-N 0 0 519.070 6.756 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1C=Nc1ccc(I)cc1C ZINC000252619967 572269239 /nfs/dbraw/zinc/26/92/39/572269239.db2.gz LVBJRSZRYICMBC-UHFFFAOYSA-N 0 0 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Brc1ccc(-c2cc(N=Cc3c4ccccc4cc4ccccc43)n(-c3ccccc3)n2)cc1 ZINC000252620414 572269367 /nfs/dbraw/zinc/26/93/67/572269367.db2.gz MDPCKVNOQUTIRK-UHFFFAOYSA-N 0 0 502.415 8.359 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252620184 572269369 /nfs/dbraw/zinc/26/93/69/572269369.db2.gz LYZJXEBPFWBFLY-QDVKEWAPSA-N 0 0 527.715 7.640 50 30 KKEARN COc1cccc(/C=C2/SC(=Nc3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000252620620 572269410 /nfs/dbraw/zinc/26/94/10/572269410.db2.gz MIBNLKTXCVUKTN-TWPJERNMSA-N 0 0 573.671 5.820 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc2nc(C)sc2c1 ZINC000252620239 572269414 /nfs/dbraw/zinc/26/94/14/572269414.db2.gz LZWMYKZONRYSIH-YPSVQALMSA-N 0 0 550.753 8.050 50 30 KKEARN Cc1c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000252620864 572269461 /nfs/dbraw/zinc/26/94/61/572269461.db2.gz MNXIPVHWKILTOE-OVXJTXGTSA-N 0 0 516.670 7.416 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@@H]23)cc1 ZINC000252621195 572269518 /nfs/dbraw/zinc/26/95/18/572269518.db2.gz MVDFQNUBNHVQJI-BILWRWLNSA-N 0 0 517.028 6.856 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252622374 572269696 /nfs/dbraw/zinc/26/96/96/572269696.db2.gz NTZIYDGGFXLCMJ-ZFMDGLEKSA-N 0 0 544.673 6.610 50 30 KKEARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(N=Cc3cc(Br)ccc3O)cc2s1 ZINC000252622475 572269794 /nfs/dbraw/zinc/26/97/94/572269794.db2.gz NWCCFFUYIXRXGB-UHFFFAOYSA-N 0 0 546.899 7.208 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252623274 572269960 /nfs/dbraw/zinc/26/99/60/572269960.db2.gz ONQYZKPQAAWPMO-UHFFFAOYSA-N 0 0 570.525 6.193 50 30 KKEARN CCOC(=O)Cn1cc(/C=C2/SC(=Nc3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c2ccccc21 ZINC000252623555 572269994 /nfs/dbraw/zinc/26/99/94/572269994.db2.gz OTYNLZDXPRUDJM-QKHFAFOMSA-N 0 0 505.596 5.003 50 30 KKEARN Cc1cccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c1 ZINC000252623616 572270020 /nfs/dbraw/zinc/27/00/20/572270020.db2.gz OVLAPKCPGFTMSV-UHFFFAOYSA-N 0 0 538.700 5.640 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252625073 572270282 /nfs/dbraw/zinc/27/02/82/572270282.db2.gz QCISUUVOXYXVPI-DFJLSTBTSA-N 0 0 556.684 7.146 50 30 KKEARN Clc1ccc(OCc2cccc3ccccc32)c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000252624782 572270300 /nfs/dbraw/zinc/27/03/00/572270300.db2.gz PUVOUVIFJAIBRT-UHFFFAOYSA-N 0 0 528.060 5.904 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]23)cc1 ZINC000252625185 572270360 /nfs/dbraw/zinc/27/03/60/572270360.db2.gz QEYZTSBBFRRISY-JHCAPHELSA-N 0 0 512.609 6.211 50 30 KKEARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1\SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O ZINC000252625511 572270365 /nfs/dbraw/zinc/27/03/65/572270365.db2.gz QLRAOPJPPPWWPO-FUMWALDCSA-N 0 0 518.436 6.505 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(Br)c3)c3ccccc32)cc1 ZINC000252625604 572270376 /nfs/dbraw/zinc/27/03/76/572270376.db2.gz QNNKLGKXXUDCHC-JFCXWDENSA-N 0 0 563.451 6.411 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000252625187 572270464 /nfs/dbraw/zinc/27/04/64/572270464.db2.gz QEYZTSBBFRRISY-ZSZBPKCMSA-N 0 0 512.609 6.211 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Br)cc1 ZINC000252625690 572270497 /nfs/dbraw/zinc/27/04/97/572270497.db2.gz QPGWSBWJJHYJIC-UHFFFAOYSA-N 0 0 580.531 5.648 50 30 KKEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1ccccc1OCc1cccc2ccccc21 ZINC000252625668 572270581 /nfs/dbraw/zinc/27/05/81/572270581.db2.gz QORXDCYKURQEFW-UHFFFAOYSA-N 0 0 520.681 6.635 50 30 KKEARN COc1cc(Cl)cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)c1OC ZINC000252626208 572270584 /nfs/dbraw/zinc/27/05/84/572270584.db2.gz QYKAUKWTKSGSQE-DOUNBTLHSA-N 0 0 507.055 7.399 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252625970 572270587 /nfs/dbraw/zinc/27/05/87/572270587.db2.gz QTEZBCZVPHXKHL-SMOKFNNJSA-N 0 0 545.617 5.123 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252626807 572270610 /nfs/dbraw/zinc/27/06/10/572270610.db2.gz RFZPPRNZFSOMEB-JPXGDRPDSA-N 0 0 590.499 6.329 50 30 KKEARN CCOc1ccc(C2=C(C=Nc3ccc(NC(C)=O)cc3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000252627183 572270614 /nfs/dbraw/zinc/27/06/14/572270614.db2.gz ROLIDKOHCIYPMJ-HKBQPEDESA-N 0 0 506.577 7.521 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252626808 572270630 /nfs/dbraw/zinc/27/06/30/572270630.db2.gz RFZPPRNZFSOMEB-UDAVEZRASA-N 0 0 590.499 6.329 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(Cl)cc1 ZINC000252627009 572270650 /nfs/dbraw/zinc/27/06/50/572270650.db2.gz RKCVFYNXCCAPRA-IBWBBFSBSA-N 0 0 548.133 7.816 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252627035 572270670 /nfs/dbraw/zinc/27/06/70/572270670.db2.gz RKQNPGFPFUHNNY-UHFFFAOYSA-N 0 0 596.264 8.543 50 30 KKEARN BrC(=CC=Nc1ccc(-c2nc3cc(N=CC=C(Br)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1 ZINC000252627536 572270789 /nfs/dbraw/zinc/27/07/89/572270789.db2.gz RWKXMVREAJZDII-WYTHHAIYSA-N 0 0 610.353 9.507 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252628097 572270890 /nfs/dbraw/zinc/27/08/90/572270890.db2.gz SIAUFQNADDFWGO-RFMVKTJLSA-N 0 0 544.636 7.155 50 30 KKEARN COc1cc(C=Nc2ccc(N=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252628722 572271026 /nfs/dbraw/zinc/27/10/26/572271026.db2.gz SWGIGXYTLCDDOX-UHFFFAOYSA-N 0 0 708.596 8.422 50 30 KKEARN COc1ccc(C2=C(C=Nc3ccc(NC(C)=O)cc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000252630049 572271232 /nfs/dbraw/zinc/27/12/32/572271232.db2.gz UTIOATQHHOGLQY-HKBQPEDESA-N 0 0 504.586 7.000 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)C(=O)N2CC)cc1 ZINC000252629997 572271240 /nfs/dbraw/zinc/27/12/40/572271240.db2.gz URYSCBRSRFOFCT-MVOBOTRASA-N 0 0 541.648 6.938 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000252629849 572271281 /nfs/dbraw/zinc/27/12/81/572271281.db2.gz UOUNXAIMZIXBTC-UHFFFAOYSA-N 0 0 550.634 7.446 50 30 KKEARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C\c2ccc(Cl)cc2)CCCCC1 ZINC000252630461 572271347 /nfs/dbraw/zinc/27/13/47/572271347.db2.gz VACVKJDNXXSACA-JMQKPSMJSA-N 0 0 530.931 8.212 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000252631872 572271486 /nfs/dbraw/zinc/27/14/86/572271486.db2.gz VNMCZMBYAKBILZ-RCALMMMNSA-N 0 0 534.609 6.214 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252632806 572271601 /nfs/dbraw/zinc/27/16/01/572271601.db2.gz VXCVJEMWZRFBIN-PAMLCIOASA-N 0 0 560.311 7.738 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000252634652 572271753 /nfs/dbraw/zinc/27/17/53/572271753.db2.gz WPWDPCCMGGGHKV-UHFFFAOYSA-N 0 0 652.630 8.715 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)c(Cl)c1 ZINC000252635061 572271754 /nfs/dbraw/zinc/27/17/54/572271754.db2.gz WUDFVVMIMIYDQH-UHFFFAOYSA-N 0 0 548.478 6.937 50 30 KKEARN COc1cc(Br)c(O)c(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000252636321 572271865 /nfs/dbraw/zinc/27/18/65/572271865.db2.gz XHCHWLIHCSFBGM-VHKQKKMJSA-N 0 0 537.479 7.206 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)SC1=Nc1ccccc1 ZINC000252636157 572271869 /nfs/dbraw/zinc/27/18/69/572271869.db2.gz XFKDFZDYZFFQOX-ZEAYLUBASA-N 0 0 505.571 5.094 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252637325 572271962 /nfs/dbraw/zinc/27/19/62/572271962.db2.gz XRYLRQXLJMEVBQ-FQEVSTJZSA-N 0 0 507.637 5.707 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)o1 ZINC000252639811 572272194 /nfs/dbraw/zinc/27/21/94/572272194.db2.gz YNXSWFNWLGZCRK-SBZDMIGCSA-N 0 0 525.586 7.289 50 30 KKEARN Cc1ccccc1N=C1c2ccccc2C(SC2=C(c3ccccc3)C(=Nc3ccccc3C)c3ccccc32)=C1c1ccccc1 ZINC000252639697 572272244 /nfs/dbraw/zinc/27/22/44/572272244.db2.gz YMVCEFGQALUBLU-UHFFFAOYSA-N 0 0 620.821 11.742 50 30 KKEARN CCOc1cc(Br)cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000252642746 572272471 /nfs/dbraw/zinc/27/24/71/572272471.db2.gz ZPGYHMNTDRSLAA-DOUNBTLHSA-N 0 0 551.506 7.596 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252666188 572272847 /nfs/dbraw/zinc/27/28/47/572272847.db2.gz ASNYXTAOSXDXMB-MUUNZHRXSA-N 0 0 588.060 5.041 50 30 KKEARN C=CCn1c(C)c(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000252666211 572272870 /nfs/dbraw/zinc/27/28/70/572272870.db2.gz AULTZEFZAVPABU-HKBQPEDESA-N 0 0 574.706 5.332 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252666367 572273032 /nfs/dbraw/zinc/27/30/32/572273032.db2.gz BFYBGFYJVQTRFE-LHEWISCISA-N 0 0 677.782 6.548 50 30 KKEARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(Oc4ccccc4)c3)sc2=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000252668939 572274269 /nfs/dbraw/zinc/27/42/69/572274269.db2.gz FZMPGKILGGPPJO-WJOKGBTCSA-N 0 0 613.695 5.485 50 30 KKEARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000252668965 572274271 /nfs/dbraw/zinc/27/42/71/572274271.db2.gz GBDWAVXDQRMNFK-YTTGMZPUSA-N 0 0 693.801 6.688 50 30 KKEARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252671830 572277196 /nfs/dbraw/zinc/27/71/96/572277196.db2.gz OJUGQFDYCMQVNT-MHZLTWQESA-N 0 0 650.704 5.303 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252673404 572278268 /nfs/dbraw/zinc/27/82/68/572278268.db2.gz REVFOXQLTLUDTN-LJAQVGFWSA-N 0 0 676.767 5.621 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000252673999 572278472 /nfs/dbraw/zinc/27/84/72/572278472.db2.gz RTNXTDZMSOPJFG-UUWRZZSWSA-N 0 0 615.711 5.445 50 30 KKEARN C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252676120 572279892 /nfs/dbraw/zinc/27/98/92/572279892.db2.gz WASLRZQIOXVRCP-UHFFFAOYSA-N 0 0 530.738 6.733 50 30 KKEARN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(OCc5cccc6ccccc65)cc4)c(=O)n32)cc1 ZINC000252676538 572280301 /nfs/dbraw/zinc/28/03/01/572280301.db2.gz XJOXRCLSMMZEPL-YTTGMZPUSA-N 0 0 560.675 5.565 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252677829 572281162 /nfs/dbraw/zinc/28/11/62/572281162.db2.gz ZYUKOBXXDOBKFQ-PMERELPUSA-N 0 0 689.810 5.678 50 30 KKEARN 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1069831839 /nfs/dbraw/zinc/83/18/39/1069831839.db2.gz UPVQILKAHGQRPR-UHFFFAOYSA-N 0 0 529.431 5.273 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@H](C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000524732014 1069835489 /nfs/dbraw/zinc/83/54/89/1069835489.db2.gz TXFHJDSMMCYUKR-DREWKAQPSA-N 0 0 558.414 5.022 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000409414595 1069847809 /nfs/dbraw/zinc/84/78/09/1069847809.db2.gz XVECFOKIKQREAO-CKOYXCARSA-N 0 0 522.839 10.617 50 30 KKEARN Cc1c(NC2=C(Cl)C(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c(=O)n(-c2ccccc2)n1C ZINC000003047886 1069851846 /nfs/dbraw/zinc/85/18/46/1069851846.db2.gz BHWKKWGJUSERCX-UHFFFAOYSA-N 0 0 503.600 6.314 50 30 KKEARN COC(=O)c1c(NC(=O)c2ccccc2)c2cc(NCc3ccc(C#CC(C)(C)O)cc3)cnc2n1Cc1ccco1 ZINC000102383423 1069855703 /nfs/dbraw/zinc/85/57/03/1069855703.db2.gz UPELFXIQWKEEHL-UHFFFAOYSA-N 0 0 562.626 5.451 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003142898 1069856482 /nfs/dbraw/zinc/85/64/82/1069856482.db2.gz ZBGTZCFMAZTFMP-UHFFFAOYSA-N 0 0 516.478 6.399 50 30 KKEARN C=C(Cl)COc1cc(CN(C(=O)c2cc(C3CC3)nc3ccccc32)[C@H]2CCCCNC2=O)ccc1OC ZINC000102699427 1069862722 /nfs/dbraw/zinc/86/27/22/1069862722.db2.gz OYPDARSYROVRDR-SANMLTNESA-N 0 0 534.056 5.563 50 30 KKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(OCCCC)cc3)c(O)c2)cc1 ZINC000103012433 1070933202 /nfs/dbraw/zinc/93/32/02/1070933202.db2.gz YLIHUAKQHKPQSD-IWBSIUBASA-N 0 0 517.666 8.280 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000103371410 1070948682 /nfs/dbraw/zinc/94/86/82/1070948682.db2.gz IWXAAWANXQSZDT-YQMVTHACSA-N 0 0 530.005 7.934 50 30 KKEARN CCCOc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(OC)cc2)C1 ZINC000053339213 1070980959 /nfs/dbraw/zinc/98/09/59/1070980959.db2.gz VYOTVTDMNJMRIN-WRONEBCDSA-N 0 0 550.577 6.947 50 30 KKEARN CCOc1c(I)cc(I)cc1/C=C1/Sc2ccccc2C1=O ZINC000104007880 1071050440 /nfs/dbraw/zinc/05/04/40/1071050440.db2.gz MEVMUQJYXATPNA-OVCLIPMQSA-N 0 0 534.156 5.624 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888089046 1071058108 /nfs/dbraw/zinc/05/81/08/1071058108.db2.gz FDOLKNXDQJCOFQ-IQNXPYKJSA-N 0 0 692.209 6.578 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)cc1 ZINC000102964952 1071054140 /nfs/dbraw/zinc/05/41/40/1071054140.db2.gz IXAHGQJUAXOYEY-NQGGHMMCSA-N 0 0 608.782 5.540 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1 ZINC000102970294 1071055021 /nfs/dbraw/zinc/05/50/21/1071055021.db2.gz MKSXGDOUWDZPHB-AQTBWJFISA-N 0 0 525.655 6.606 50 30 KKEARN COC(=O)C[C@@H](c1cccc(OCc2cccnc2)c1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089722 1071062060 /nfs/dbraw/zinc/06/20/60/1071062060.db2.gz AYWOZHPXQWKABF-YPAVVWTQSA-N 0 0 608.043 5.413 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cccc(-c3nc(-c4ccccn4)n[nH]3)c2)C[C@@H]1C ZINC000888090360 1071064930 /nfs/dbraw/zinc/06/49/30/1071064930.db2.gz VBYSTEQOPVRSKO-WNNBVUDTSA-N 0 0 557.994 5.123 50 30 KKEARN COC(=O)C[C@@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)C1C(=O)C[C@@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090800 1071066217 /nfs/dbraw/zinc/06/62/17/1071066217.db2.gz VOBDBVXMMCXYIN-QUWWIJAPSA-N 0 0 694.133 5.985 50 30 KKEARN FC(F)Sc1ccc(-c2ccc(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000585680897 1071129521 /nfs/dbraw/zinc/12/95/21/1071129521.db2.gz HMYGVORBAHNTML-VVVLLQMOSA-N 0 0 554.062 7.783 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000109103036 1071147904 /nfs/dbraw/zinc/14/79/04/1071147904.db2.gz TWVSMEQLFCYRLJ-ZXIHIIQKSA-N 0 0 570.460 6.678 50 30 KKEARN O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000263622507 1071153737 /nfs/dbraw/zinc/15/37/37/1071153737.db2.gz NWTGURGHJWPEDQ-UHFFFAOYSA-N 0 0 536.535 5.391 50 30 KKEARN CCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O ZINC000245285858 1071161843 /nfs/dbraw/zinc/16/18/43/1071161843.db2.gz ZBBSDJQJNJJCDB-HSZRJFAPSA-N 0 0 515.701 5.662 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(C=CC(=O)c3ccc(NC4=NCCCS4)cc3)cc2[N+](=O)[O-])cc1 ZINC000033430225 1071197342 /nfs/dbraw/zinc/19/73/42/1071197342.db2.gz OZCOFUMDLWNVSY-WCSRMQSCSA-N 0 0 515.635 7.295 50 30 KKEARN COc1cc(/C=C\C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC ZINC000033388725 1071197404 /nfs/dbraw/zinc/19/74/04/1071197404.db2.gz XXIGWYZFBKPLFU-XFXZXTDPSA-N 0 0 520.379 5.880 50 30 KKEARN CCCn1c2ccccc2n2c1nc(-c1ccc(-c3ccccc3)cc1)c2C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000033358666 1071195477 /nfs/dbraw/zinc/19/54/77/1071195477.db2.gz LOGIEAQQAVTUDN-ZHZULCJRSA-N 0 0 541.651 7.946 50 30 KKEARN C=CCn1c(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nnc1SC/C=C\c1ccccc1 ZINC000033420504 1071197609 /nfs/dbraw/zinc/19/76/09/1071197609.db2.gz VYZOZGMKMRERDP-FLIBITNWSA-N 0 0 507.710 5.739 50 30 KKEARN COc1ccc(OC)c(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nc3ccccc3c2=O)c1 ZINC000012602184 1071229680 /nfs/dbraw/zinc/22/96/80/1071229680.db2.gz ABEBVMMWFOQXNS-YUMHPJSZSA-N 0 0 527.646 5.376 50 30 KKEARN C=CCO[C@@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](Sc2ccccc2)[C@@H](OCC=C)[C@H]1OCC=C ZINC000503991835 1071255466 /nfs/dbraw/zinc/25/54/66/1071255466.db2.gz TXRQHCCREUGESF-INMKTMPKSA-N 0 0 634.838 8.226 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000604403968 1071268423 /nfs/dbraw/zinc/26/84/23/1071268423.db2.gz GPQYHHYRXKRMSA-CDDSXJAOSA-N 0 0 692.209 5.928 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000604404114 1071269225 /nfs/dbraw/zinc/26/92/25/1071269225.db2.gz JQFRWMWLOVMLHX-WJOKGBTCSA-N 0 0 541.736 7.627 50 30 KKEARN CCCCCCCCCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000604404540 1071269775 /nfs/dbraw/zinc/26/97/75/1071269775.db2.gz PFGCSWNLFOUYHW-MHZLTWQESA-N 0 0 595.781 5.922 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)C[C@H]1C ZINC000604404761 1071270648 /nfs/dbraw/zinc/27/06/48/1071270648.db2.gz KFFCUMFKMZGPDW-HOLBHBGLSA-N 0 0 557.994 5.123 50 30 KKEARN CCCCCCCCOc1ccc([C@H](CC(=O)OC)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000604404910 1071271160 /nfs/dbraw/zinc/27/11/60/1071271160.db2.gz IXWFFASHPMUBGO-VSWMQDILSA-N 0 0 629.146 7.178 50 30 KKEARN CCCCCCCCCCCCCCCCNC1=CC(=O)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)[C@H](C)C1 ZINC000604406377 1071273800 /nfs/dbraw/zinc/27/38/00/1071273800.db2.gz UEOIBNLZLOBHJA-HEIROHQZSA-N 0 0 562.191 8.235 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N[C@H](c2nc3ccccc3[nH]2)C(C)C)C[C@H]1C ZINC000604406276 1071273857 /nfs/dbraw/zinc/27/38/57/1071273857.db2.gz ZWROYVHPGQIVEB-XXXWZAQXSA-N 0 0 509.990 5.027 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2cccc3[nH]ccc32)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595856 1071282882 /nfs/dbraw/zinc/28/28/82/1071282882.db2.gz HAAREGSXUYOKQT-SMPAZAHYSA-N 0 0 661.107 5.778 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCn2cnc3ccccc32)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596391 1071283765 /nfs/dbraw/zinc/28/37/65/1071283765.db2.gz QIPMLEZVEBVWIM-LCYYYONKSA-N 0 0 676.122 5.146 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2OC(C)C)CC(=O)O3)C1=O ZINC000218011694 1071294807 /nfs/dbraw/zinc/29/48/07/1071294807.db2.gz DUHNIXHLLBZBHY-ZASBYKKMSA-N 0 0 516.546 5.557 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OC)c3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)cc1 ZINC000217993010 1071294947 /nfs/dbraw/zinc/29/49/47/1071294947.db2.gz UHVNGFMVRAAZOP-VGBOAXCZSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1 ZINC000102279662 1071303078 /nfs/dbraw/zinc/30/30/78/1071303078.db2.gz AIKOVMGHZGJFFM-ANYBSYGZSA-N 0 0 599.782 5.692 50 30 KKEARN CCNc1sc(C(=O)OCC)c(NC=C2c3ccccc3C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1C#N ZINC000102909468 1071304755 /nfs/dbraw/zinc/30/47/55/1071304755.db2.gz JTGKYZNFRRRHLJ-ZHZULCJRSA-N 0 0 554.550 5.887 50 30 KKEARN COc1ccccc1/C=C\C=Nn1c(-c2ccc(OC(F)F)cc2)csc1=Nc1ccccc1OC ZINC000886014835 1071315461 /nfs/dbraw/zinc/31/54/61/1071315461.db2.gz FMJRIPAXRUZNJU-SRWMVLHPSA-N 0 0 507.562 6.615 50 30 KKEARN CC(=Nn1c(-c2cccc([N+](=O)[O-])c2)csc1=Nc1ccccc1C)c1ccc(N2CCOCC2)cc1 ZINC000886017615 1071316089 /nfs/dbraw/zinc/31/60/89/1071316089.db2.gz RCHZWKIXXCQHRX-UHFFFAOYSA-N 0 0 513.623 5.775 50 30 KKEARN COc1ccc(C=C2C(=O)C(Nc3ccc(Br)cc3)=C[C@H]2Nc2ccc(Br)cc2)cc1OC ZINC000003211665 1071317870 /nfs/dbraw/zinc/31/78/70/1071317870.db2.gz XHFSNQXTKJUEGY-MUIAGPEESA-N 0 0 570.281 6.672 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000003306363 1071318991 /nfs/dbraw/zinc/31/89/91/1071318991.db2.gz GTJWSGHJAOAMRU-QBSMDCTRSA-N 0 0 524.448 5.984 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102936907 1071321697 /nfs/dbraw/zinc/32/16/97/1071321697.db2.gz RBBLZOZBOLBQLU-CYYJNZCTSA-N 0 0 560.971 7.357 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C\c3ccccc3)c2)sc2c1CCCCC2 ZINC000103054891 1071329103 /nfs/dbraw/zinc/32/91/03/1071329103.db2.gz LWKLZLMYXIKCBQ-PFONDFGASA-N 0 0 535.647 5.097 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000103055235 1071329763 /nfs/dbraw/zinc/32/97/63/1071329763.db2.gz TYJKYUYRYZNQSL-KHPPLWFESA-N 0 0 529.449 5.554 50 30 KKEARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccccc3NC=CC(=O)C(F)(F)F)c2C)cc1 ZINC000103104835 1071336151 /nfs/dbraw/zinc/33/61/51/1071336151.db2.gz TUCNVTHVYDJXMX-OWBHPGMISA-N 0 0 528.527 5.453 50 30 KKEARN N#Cc1ccc(COc2ccc(Cl)cc2/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000103687458 1071338313 /nfs/dbraw/zinc/33/83/13/1071338313.db2.gz GJECBETZNPUZLM-DPNNOFEESA-N 0 0 532.109 7.544 50 30 KKEARN COc1ccc(Oc2ccc(/C=C\C(=O)c3ccc(OC(F)F)cc3OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000035104941 1072825627 /nfs/dbraw/zinc/82/56/27/1072825627.db2.gz SBSAAUZXQGZWGL-SGAXSIHGSA-N 0 0 507.392 6.495 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN3CCN(Cc4ccc(Cl)cc4)CC3)=C2N2CCOCC2)cc1 ZINC000245264568 1072830589 /nfs/dbraw/zinc/83/05/89/1072830589.db2.gz DAODDQWQNMRXIC-SOEOIWOASA-N 0 0 548.175 5.753 50 30 KKEARN CCCCCCCCCC[C@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)NC1=O ZINC000245265691 1072830629 /nfs/dbraw/zinc/83/06/29/1072830629.db2.gz HAJKSKCDZIVCMR-RUZDIDTESA-N 0 0 529.728 6.215 50 30 KKEARN CCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O ZINC000245285861 1072831701 /nfs/dbraw/zinc/83/17/01/1072831701.db2.gz ZBBSDJQJNJJCDB-QHCPKHFHSA-N 0 0 515.701 5.662 50 30 KKEARN FC(F)(F)COc1nc(Nc2ccccc2Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)nc(OCC(F)(F)F)n1 ZINC000095100393 1072832751 /nfs/dbraw/zinc/83/27/51/1072832751.db2.gz RRLXUJVKXBDSIF-UHFFFAOYSA-N 0 0 658.360 5.308 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970942 1072836765 /nfs/dbraw/zinc/83/67/65/1072836765.db2.gz LQJSBKUIDXIFQZ-PMERELPUSA-N 0 0 627.620 9.417 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999685 1072842091 /nfs/dbraw/zinc/84/20/91/1072842091.db2.gz UUXIAAGTAHWVRN-KWXDVARASA-N 0 0 621.177 8.874 50 30 KKEARN O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000254287969 1072843436 /nfs/dbraw/zinc/84/34/36/1072843436.db2.gz POOAMAVLIMZVQF-UHFFFAOYSA-N 0 0 570.980 5.957 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(-c4ccc(F)cc4)o3)c([N+](=O)[O-])c2)cc1 ZINC000254290352 1072843778 /nfs/dbraw/zinc/84/37/78/1072843778.db2.gz MYZCHRHKJFQVDI-UHFFFAOYSA-N 0 0 510.503 5.249 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N=NC(Cc2nc3ccccc3s2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000254293553 1072844379 /nfs/dbraw/zinc/84/43/79/1072844379.db2.gz VIROMKTUAMDGKC-UHFFFAOYSA-N 0 0 523.640 5.294 50 30 KKEARN Cc1cccc(C)c1N=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(N2CCOCC2)cc1 ZINC000254293721 1072844898 /nfs/dbraw/zinc/84/48/98/1072844898.db2.gz JPSNUFUNFWRJFR-UHFFFAOYSA-N 0 0 544.724 7.452 50 30 KKEARN CCN(CCOC(C)=O)c1ccc(N=Nc2ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)cc1 ZINC000254369500 1072849295 /nfs/dbraw/zinc/84/92/95/1072849295.db2.gz ZSDWMJRYJDZQHG-UHFFFAOYSA-N 0 0 605.504 6.368 50 30 KKEARN COc1cc(C(C)=Nn2c(-c3ccc(C4CCCCC4)cc3)csc2=NC(C)C)cc(OC)c1OC ZINC000254379195 1072850007 /nfs/dbraw/zinc/85/00/07/1072850007.db2.gz MTVSFBTYUMEZFT-UHFFFAOYSA-N 0 0 507.700 6.872 50 30 KKEARN COc1cccc(NC(=O)c2sc(N=NCc3ccc(N(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000254384202 1072850543 /nfs/dbraw/zinc/85/05/43/1072850543.db2.gz GMHLDLZOVCLBLP-UHFFFAOYSA-N 0 0 516.583 5.491 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000254394720 1072851679 /nfs/dbraw/zinc/85/16/79/1072851679.db2.gz NHVPTRKDAKISCV-UHFFFAOYSA-N 0 0 581.538 6.116 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(Nc2ccccc2OC)c(N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000254402190 1072853466 /nfs/dbraw/zinc/85/34/66/1072853466.db2.gz KEINCPLRYOFIDS-UHFFFAOYSA-N 0 0 628.798 8.831 50 30 KKEARN COc1ccc(N=C2S[C@@](c3ccc(C)cc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1 ZINC000254403714 1072853625 /nfs/dbraw/zinc/85/36/25/1072853625.db2.gz LGITZZBRFDXZPJ-DEOSSOPVSA-N 0 0 501.530 6.378 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cc(N=Cc3ccc(-c4ccccc4)cc3)ccc2N2CCCCC2)cc1 ZINC000254411566 1072854454 /nfs/dbraw/zinc/85/44/54/1072854454.db2.gz OSDZHJVAICPVND-UHFFFAOYSA-N 0 0 525.674 6.904 50 30 KKEARN CN1C/C(=C\C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C1 ZINC000254522825 1072862150 /nfs/dbraw/zinc/86/21/50/1072862150.db2.gz RKPQDJVFNPEMLU-LZGHQTQOSA-N 0 0 615.818 6.281 50 30 KKEARN COC(=O)c1ccc(COc2ccccc2CN=Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 ZINC000254532024 1072862878 /nfs/dbraw/zinc/86/28/78/1072862878.db2.gz SPAZVCXEKWZQRH-UHFFFAOYSA-N 0 0 590.614 5.216 50 30 KKEARN Cc1sc2ncnc(N3CCC(C(=O)N4C[C@@H](C)SC4=Nc4ccc(Cl)cc4)CC3)c2c1C ZINC000254565362 1072864397 /nfs/dbraw/zinc/86/43/97/1072864397.db2.gz AUZKPFSVAIBWDH-CQSZACIVSA-N 0 0 500.093 5.830 50 30 KKEARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CON=CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254608129 1072866841 /nfs/dbraw/zinc/86/68/41/1072866841.db2.gz OPWYQEHQPKFXNM-MUUNZHRXSA-N 0 0 551.559 5.075 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(OC(F)F)cc3OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000254770699 1072878500 /nfs/dbraw/zinc/87/85/00/1072878500.db2.gz FJYXVMWNOROLAB-UHFFFAOYSA-N 0 0 558.466 5.053 50 30 KKEARN CCn1c2ccccc2c2cc(N=Cc3c(=O)n4ccccc4nc3Sc3nc4ccccc4s3)ccc21 ZINC000254835981 1072883006 /nfs/dbraw/zinc/88/30/06/1072883006.db2.gz KXEGCBNNFMDIBN-UHFFFAOYSA-N 0 0 531.666 7.334 50 30 KKEARN C#CCOc1ccccc1C=c1sc2n(c1=O)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000254876065 1072888183 /nfs/dbraw/zinc/88/81/83/1072888183.db2.gz DWYPWEIGISYNGT-HKBQPEDESA-N 0 0 562.691 5.071 50 30 KKEARN CC[C@@H]1CSC(=Nc2ccc(C(C)=O)cc2)N1C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000254876753 1072888280 /nfs/dbraw/zinc/88/82/80/1072888280.db2.gz QANFPUXSNVBQKE-OAQYLSRUSA-N 0 0 505.621 6.604 50 30 KKEARN Oc1ccccc1/C=N/c1cccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000068572903 1072901035 /nfs/dbraw/zinc/90/10/35/1072901035.db2.gz XBMKTPLFGJKNBC-GZZLJNBRSA-N 0 0 543.631 6.378 50 30 KKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCC(C)=O)NC(=O)CCCCCCC ZINC001501017190 1072921276 /nfs/dbraw/zinc/92/12/76/1072921276.db2.gz YXZXRVINGGAXIX-LHKBAYDFSA-N 0 0 523.799 7.362 50 30 KKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC001529436489 1072924710 /nfs/dbraw/zinc/92/47/10/1072924710.db2.gz VLWUGOWENZPUIF-CYAKKIKUSA-N 0 0 714.987 8.010 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000626393 193857828 /nfs/dbraw/zinc/85/78/28/193857828.db2.gz HATUPGGIOHBDPV-QFIPXVFZSA-N 0 0 502.405 5.268 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000000647951 193864563 /nfs/dbraw/zinc/86/45/63/193864563.db2.gz KZLDKIBKTVDFCM-LGGPFLRQSA-N 0 0 533.690 6.273 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OC)cc1OC ZINC000000648455 193865255 /nfs/dbraw/zinc/86/52/55/193865255.db2.gz YMLISNWCHOAMDR-MMTVBGGISA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(F)c2)cc1OC ZINC000000648391 193865274 /nfs/dbraw/zinc/86/52/74/193865274.db2.gz LWENYMSZNHEICB-WBBHLRKXSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000000648521 193865565 /nfs/dbraw/zinc/86/55/65/193865565.db2.gz LFKYWNLHPZNHPL-NFQMXDRXSA-N 0 0 510.030 5.918 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000000648994 193865926 /nfs/dbraw/zinc/86/59/26/193865926.db2.gz DEEIWLSWMNPQEN-QUGAMOGWSA-N 0 0 556.453 5.400 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OC)cc1OC ZINC000000648445 193865164 /nfs/dbraw/zinc/86/51/64/193865164.db2.gz YMLISNWCHOAMDR-PIIWDFAUSA-N 0 0 505.611 5.273 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650097 193867926 /nfs/dbraw/zinc/86/79/26/193867926.db2.gz XHZQRKURTJBWQE-JHOBJCJYSA-N 0 0 559.659 5.728 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000650998 193869010 /nfs/dbraw/zinc/86/90/10/193869010.db2.gz PYQNBNWAHDDWAO-SSEXGKCCSA-N 0 0 522.645 6.517 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197139 193870394 /nfs/dbraw/zinc/87/03/94/193870394.db2.gz ZUBIOCIZIVCYOL-DFXYEROKSA-N 0 0 531.649 5.950 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc([N+](=O)[O-])cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000006245529 193876774 /nfs/dbraw/zinc/87/67/74/193876774.db2.gz GZKUZQJVTHZGMT-TWKHWXDSSA-N 0 0 522.613 5.737 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068128 291943328 /nfs/dbraw/zinc/94/33/28/291943328.db2.gz WPCIETQUBPSGIM-QXNWPYRLSA-N 0 0 558.074 6.592 50 30 biogenic,in-vitro KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000000647367 551508374 /nfs/dbraw/zinc/50/83/74/551508374.db2.gz WAVOVESGULVBMK-PBBNMVCDSA-N 0 0 531.649 5.950 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000000647414 551508652 /nfs/dbraw/zinc/50/86/52/551508652.db2.gz YTKRRPVCSQNFCK-RBTNQOKQSA-N 0 0 501.623 5.941 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000000647407 551508668 /nfs/dbraw/zinc/50/86/68/551508668.db2.gz YTKRRPVCSQNFCK-PIKZIKFNSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2OC(C)C)cc1OC ZINC000000647875 551508877 /nfs/dbraw/zinc/50/88/77/551508877.db2.gz NMKLHNULNAUQMP-LGGPFLRQSA-N 0 0 519.638 5.804 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Br)cc1 ZINC000000648047 551509098 /nfs/dbraw/zinc/50/90/98/551509098.db2.gz VFRWEPMIVVAPAX-CJAUYULYSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648472 551509925 /nfs/dbraw/zinc/50/99/25/551509925.db2.gz XEDLLLVBUUKNNG-RCRUUEGKSA-N 0 0 533.665 6.052 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000000648644 551510074 /nfs/dbraw/zinc/51/00/74/551510074.db2.gz QMKSFRZUYIIFEX-HSZRJFAPSA-N 0 0 500.389 5.398 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000648984 551510386 /nfs/dbraw/zinc/51/03/86/551510386.db2.gz MMDHJBFILVAKNA-PUAOIOHZSA-N 0 0 572.452 5.105 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000649011 551510424 /nfs/dbraw/zinc/51/04/24/551510424.db2.gz GNRYLWJDUZYSTL-GOXGLGGOSA-N 0 0 553.655 6.208 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000000648930 551510471 /nfs/dbraw/zinc/51/04/71/551510471.db2.gz OSJDUQHAGPNCIV-INJOXJOKSA-N 0 0 567.682 6.596 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000649113 551510709 /nfs/dbraw/zinc/51/07/09/551510709.db2.gz BLQKAFDDZIRZRS-AVRWGWEMSA-N 0 0 515.528 5.647 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649340 551511027 /nfs/dbraw/zinc/51/10/27/551511027.db2.gz SUYMSZKXIWLCBM-XMMPIXPASA-N 0 0 501.501 5.434 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000000649683 551511389 /nfs/dbraw/zinc/51/13/89/551511389.db2.gz JFSQIPRICPAPOJ-MRDQGFSESA-N 0 0 586.479 5.494 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649806 551511657 /nfs/dbraw/zinc/51/16/57/551511657.db2.gz GYNBWMJVDSJYDW-OOWIMERYSA-N 0 0 567.638 5.595 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(O)c2)cc1OC ZINC000000650107 551511891 /nfs/dbraw/zinc/51/18/91/551511891.db2.gz WLLFWOYEROQTAF-ONOMSOESSA-N 0 0 517.622 5.647 50 30 KKEARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)c1 ZINC000000650839 551512497 /nfs/dbraw/zinc/51/24/97/551512497.db2.gz SPNXGDNATRSLAU-ICSRJNTNSA-N 0 0 501.534 5.616 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000651802 551512965 /nfs/dbraw/zinc/51/29/65/551512965.db2.gz OMZADOWJJZXNFY-AYWVHJORSA-N 0 0 509.602 5.809 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000000654805 551513623 /nfs/dbraw/zinc/51/36/23/551513623.db2.gz RWMYOLWXMUBMTQ-XMMPIXPASA-N 0 0 530.499 5.724 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000659210 551514854 /nfs/dbraw/zinc/51/48/54/551514854.db2.gz LFXJRLJKQRSMSH-RUZDIDTESA-N 0 0 538.438 5.568 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000659563 551515356 /nfs/dbraw/zinc/51/53/56/551515356.db2.gz JTLSSSUGFQDQCN-DWXRJYCRSA-N 0 0 515.411 5.239 50 30 KKEARN O=C(COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Br)Nc1ccccc1 ZINC000000665786 551517169 /nfs/dbraw/zinc/51/71/69/551517169.db2.gz PZLHKTAHOGCFJX-UHFFFAOYSA-N 0 0 521.411 5.168 50 30 KKEARN Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2Cl)cc1Cl ZINC000000665834 551517492 /nfs/dbraw/zinc/51/74/92/551517492.db2.gz WQEKHIDEMYLZMU-UHFFFAOYSA-N 0 0 560.861 7.101 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000666839 551517527 /nfs/dbraw/zinc/51/75/27/551517527.db2.gz LOBJODLPXHPYNY-HKBQPEDESA-N 0 0 539.628 5.994 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000000666988 551517970 /nfs/dbraw/zinc/51/79/70/551517970.db2.gz VWJNVABPOKXZTD-HPORLSDASA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000000672575 551519729 /nfs/dbraw/zinc/51/97/29/551519729.db2.gz STGHRSSSERIWNS-UULLZXFKSA-N 0 0 565.464 6.550 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(O)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000000672652 551519740 /nfs/dbraw/zinc/51/97/40/551519740.db2.gz UIZRKTRTJYEQGR-UHFFFAOYSA-N 0 0 501.623 6.300 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000673599 551520082 /nfs/dbraw/zinc/52/00/82/551520082.db2.gz IPOLLYSFFDMDPJ-RUZDIDTESA-N 0 0 515.528 5.824 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC ZINC000000673235 551520091 /nfs/dbraw/zinc/52/00/91/551520091.db2.gz MRCJHRJWKAXLPW-RBTNQOKQSA-N 0 0 539.632 5.416 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1OC ZINC000000673257 551520107 /nfs/dbraw/zinc/52/01/07/551520107.db2.gz MRCJHRJWKAXLPW-LYZGTLIUSA-N 0 0 539.632 5.416 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000000673642 551520115 /nfs/dbraw/zinc/52/01/15/551520115.db2.gz ILWJCJRFISEYSK-AREMUKBSSA-N 0 0 510.030 6.095 50 30 KKEARN CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000679298 551523445 /nfs/dbraw/zinc/52/34/45/551523445.db2.gz CUHYOTCAGAVFTN-HHHXNRCGSA-N 0 0 553.537 5.476 50 30 KKEARN COc1ccc(C(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000000680199 551523831 /nfs/dbraw/zinc/52/38/31/551523831.db2.gz QSCYQFULVMHIMI-IXCJQBJRSA-N 0 0 505.570 5.957 50 30 KKEARN CCOc1ccccc1[C@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(OC)cc2)C1 ZINC000000681859 551524673 /nfs/dbraw/zinc/52/46/73/551524673.db2.gz RHXKCELLJHEEHF-GDJIYFAZSA-N 0 0 536.550 6.557 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000000685672 551525795 /nfs/dbraw/zinc/52/57/95/551525795.db2.gz NRRUCRVGVRPCRQ-IANOAQMISA-N 0 0 523.677 6.852 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000000688422 551526410 /nfs/dbraw/zinc/52/64/10/551526410.db2.gz DIZJJGHBOJZVGJ-LJQANCHMSA-N 0 0 507.215 5.758 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000000688873 551526459 /nfs/dbraw/zinc/52/64/59/551526459.db2.gz DEKUMLRAIHHSIT-WJOKGBTCSA-N 0 0 548.639 6.673 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000689076 551526720 /nfs/dbraw/zinc/52/67/20/551526720.db2.gz FFXQAOYDWOTTMC-VKGTZQKMSA-N 0 0 574.475 5.862 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1 ZINC000000689064 551526722 /nfs/dbraw/zinc/52/67/22/551526722.db2.gz ZUIMNYSBHCXTHU-NDEPHWFRSA-N 0 0 544.051 6.238 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000000702998 551530285 /nfs/dbraw/zinc/53/02/85/551530285.db2.gz RJGNBVHKSRZWFX-GDLZYMKVSA-N 0 0 535.552 6.392 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703142 551530623 /nfs/dbraw/zinc/53/06/23/551530623.db2.gz YVWZJIHBSZULEM-SANMLTNESA-N 0 0 556.596 6.241 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000703176 551530641 /nfs/dbraw/zinc/53/06/41/551530641.db2.gz ONWOSAATKMDHDT-BGOLNKOXSA-N 0 0 562.622 5.771 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000000703173 551530749 /nfs/dbraw/zinc/53/07/49/551530749.db2.gz BCLDSGAKQICUID-DFXYEROKSA-N 0 0 532.596 5.763 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000000707859 551531865 /nfs/dbraw/zinc/53/18/65/551531865.db2.gz FJZSFPXLVUJBAO-KPURRNSFSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708074 551532169 /nfs/dbraw/zinc/53/21/69/551532169.db2.gz NKGFUFPEMNDYQE-DNOBIOAJSA-N 0 0 524.013 5.638 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000709738 551532903 /nfs/dbraw/zinc/53/29/03/551532903.db2.gz NMRUPRKQZFLKFN-OLRZCDJHSA-N 0 0 515.522 5.320 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000709739 551532927 /nfs/dbraw/zinc/53/29/27/551532927.db2.gz NMRUPRKQZFLKFN-HJWYETAXSA-N 0 0 515.522 5.320 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Br)cc2)cc1OC ZINC000000710608 551533085 /nfs/dbraw/zinc/53/30/85/551533085.db2.gz BRUZQMHBHJZKLJ-MYUZEXMDSA-N 0 0 505.412 6.446 50 30 KKEARN Cn1ccnc1Sc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000714683 551534060 /nfs/dbraw/zinc/53/40/60/551534060.db2.gz SUSIEWGTEPTQLL-MHZLTWQESA-N 0 0 510.619 6.942 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000714659 551534093 /nfs/dbraw/zinc/53/40/93/551534093.db2.gz OAEPBKKFUZHZKL-NRFANRHFSA-N 0 0 514.500 5.024 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000715994 551534258 /nfs/dbraw/zinc/53/42/58/551534258.db2.gz DROPSORQYIJUKU-XMMPIXPASA-N 0 0 501.501 5.434 50 30 KKEARN COc1cc(OC)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000000717701 551534791 /nfs/dbraw/zinc/53/47/91/551534791.db2.gz OZXOHCXXZLFYIA-CBZJRKILSA-N 0 0 523.651 5.621 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000000717738 551534835 /nfs/dbraw/zinc/53/48/35/551534835.db2.gz LJUZQRQBCIVPKN-VOIUYBSRSA-N 0 0 512.400 5.001 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(=O)C3[C@H]2c2cccnc2)cc(OC)c1OC ZINC000000718115 551534980 /nfs/dbraw/zinc/53/49/80/551534980.db2.gz PCEKRTASLDKZSE-GJBXTBEHSA-N 0 0 575.665 6.630 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000000718272 551535253 /nfs/dbraw/zinc/53/52/53/551535253.db2.gz CLXOGWXCTKHVCL-DLLPINGYSA-N 0 0 508.618 6.420 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc(OC)c1OC ZINC000000719128 551535695 /nfs/dbraw/zinc/53/56/95/551535695.db2.gz NGYLIUDTLREWFV-RXAIFQJESA-N 0 0 508.977 6.484 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc(OC)c1OC ZINC000000719125 551535827 /nfs/dbraw/zinc/53/58/27/551535827.db2.gz NGYLIUDTLREWFV-KUNJGFBQSA-N 0 0 508.977 6.484 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1O ZINC000000720664 551537184 /nfs/dbraw/zinc/53/71/84/551537184.db2.gz IQQYFMUEUBWVGS-BSEYFRJRSA-N 0 0 511.441 6.594 50 30 biogenic,in-vitro KKEARN C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000723898 551538089 /nfs/dbraw/zinc/53/80/89/551538089.db2.gz QIMQHZUSOAZRAA-UHFFFAOYSA-N 0 0 502.415 5.397 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000000801125 551543339 /nfs/dbraw/zinc/54/33/39/551543339.db2.gz QCLBTILWSZSRMP-DLLPINGYSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000000801122 551543369 /nfs/dbraw/zinc/54/33/69/551543369.db2.gz QCLBTILWSZSRMP-WBBHLRKXSA-N 0 0 523.629 5.851 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000861355 551551245 /nfs/dbraw/zinc/55/12/45/551551245.db2.gz OKKSRFULAWPCKJ-PBBNMVCDSA-N 0 0 550.051 6.121 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000861291 551551247 /nfs/dbraw/zinc/55/12/47/551551247.db2.gz FVKCASZTZHJZDS-QNLPTKCRSA-N 0 0 553.655 5.860 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000861356 551551315 /nfs/dbraw/zinc/55/13/15/551551315.db2.gz OKKSRFULAWPCKJ-KCWXNJEJSA-N 0 0 550.051 6.121 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863364 551551879 /nfs/dbraw/zinc/55/18/79/551551879.db2.gz IFDPCQIRWDNVNR-ONOMSOESSA-N 0 0 546.620 5.850 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000000863404 551551897 /nfs/dbraw/zinc/55/18/97/551551897.db2.gz LMOVYNIAHXAJTM-WGDIFIGCSA-N 0 0 530.448 6.324 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000863456 551551990 /nfs/dbraw/zinc/55/19/90/551551990.db2.gz DTPBUWPSMBVQCP-QYBDOPJKSA-N 0 0 530.448 6.324 50 30 KKEARN COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000864954 551552315 /nfs/dbraw/zinc/55/23/15/551552315.db2.gz GHRJUASHBDWKLY-NDEPHWFRSA-N 0 0 512.606 6.165 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(-c3ccccc3)c2c1=O ZINC000000947670 551588415 /nfs/dbraw/zinc/58/84/15/551588415.db2.gz ZAUFRANFDGHGGM-UHFFFAOYSA-N 0 0 557.701 5.148 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccccc1Cl ZINC000000949835 551588774 /nfs/dbraw/zinc/58/87/74/551588774.db2.gz ORYIEDWHYWDUMJ-UHFFFAOYSA-N 0 0 500.024 5.702 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000949841 551588898 /nfs/dbraw/zinc/58/88/98/551588898.db2.gz NWEWEPSQACDJFE-UHFFFAOYSA-N 0 0 542.086 5.580 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)c1 ZINC000000959830 551590051 /nfs/dbraw/zinc/59/00/51/551590051.db2.gz GAUUCAOCMOUXDF-NRFANRHFSA-N 0 0 510.015 5.297 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959779 551590124 /nfs/dbraw/zinc/59/01/24/551590124.db2.gz LVSBXNOLPKGQDM-JOCHJYFZSA-N 0 0 503.624 5.280 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000986567 551593088 /nfs/dbraw/zinc/59/30/88/551593088.db2.gz JQCXXEPNSXRKKH-SLGOVJDISA-N 0 0 552.627 5.801 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000000986544 551593132 /nfs/dbraw/zinc/59/31/32/551593132.db2.gz DYGSCRGUUAAMON-DLLPINGYSA-N 0 0 501.586 6.305 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000996173 551594599 /nfs/dbraw/zinc/59/45/99/551594599.db2.gz RYMSTUNCJRLXHF-PMERELPUSA-N 0 0 532.596 6.385 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000000998679 551595052 /nfs/dbraw/zinc/59/50/52/551595052.db2.gz QVPHYQXVHPFHMT-RBBQXQBVSA-N 0 0 523.677 6.852 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001003445 551596007 /nfs/dbraw/zinc/59/60/07/551596007.db2.gz WKKKBWRMORZDQH-HMILPKGGSA-N 0 0 501.970 6.559 50 30 KKEARN COc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000001007524 551596174 /nfs/dbraw/zinc/59/61/74/551596174.db2.gz WMBXZCCGKFOLAG-MTJSOVHGSA-N 0 0 511.397 5.296 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001008208 551596471 /nfs/dbraw/zinc/59/64/71/551596471.db2.gz NADLVAYZGYUUNA-ZEBKITEQSA-N 0 0 537.645 5.214 50 30 KKEARN NC(=O)Cn1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000001015436 551596998 /nfs/dbraw/zinc/59/69/98/551596998.db2.gz VKQAGSIFFMPLAK-BYRLOFTLSA-N 0 0 559.489 5.562 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001035429 551598549 /nfs/dbraw/zinc/59/85/49/551598549.db2.gz CSCWVRGQKLMHMC-NRFANRHFSA-N 0 0 508.043 5.925 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1OC ZINC000001074592 551603473 /nfs/dbraw/zinc/60/34/73/551603473.db2.gz UKSMJHBMHGVBEQ-WRONEBCDSA-N 0 0 517.622 5.560 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001074653 551603888 /nfs/dbraw/zinc/60/38/88/551603888.db2.gz GMCHOUSGMQMIQM-CCLHPLFOSA-N 0 0 503.595 6.001 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000001077482 551604846 /nfs/dbraw/zinc/60/48/46/551604846.db2.gz RFVPDVZUURHAPJ-UULLZXFKSA-N 0 0 565.464 6.550 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000001077478 551604865 /nfs/dbraw/zinc/60/48/65/551604865.db2.gz RFVPDVZUURHAPJ-HPGBDJQBSA-N 0 0 565.464 6.550 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccccc3C#N)n2)cc1 ZINC000001084789 551606136 /nfs/dbraw/zinc/60/61/36/551606136.db2.gz CXAKKRPYCVNLDV-UHFFFAOYSA-N 0 0 506.587 5.907 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(Br)cc1OC ZINC000001089466 551607074 /nfs/dbraw/zinc/60/70/74/551607074.db2.gz MSQOICRCMLBJKB-DMZKTXOQSA-N 0 0 518.429 5.062 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1 ZINC000001101410 551608638 /nfs/dbraw/zinc/60/86/38/551608638.db2.gz NGSOPYVISQTIBE-XOFWUJAUSA-N 0 0 511.962 5.368 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001111144 551611290 /nfs/dbraw/zinc/61/12/90/551611290.db2.gz BYNGKQIGCKRECE-JIYROHSKSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001111156 551611367 /nfs/dbraw/zinc/61/13/67/551611367.db2.gz IFQPSCALQUNFFU-UGDMGKLASA-N 0 0 583.641 5.929 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@@H](C)NC(=O)c1cccs1 ZINC000001123277 551613505 /nfs/dbraw/zinc/61/35/05/551613505.db2.gz CEVUFJUDHZNKDT-GFCCVEGCSA-N 0 0 529.997 5.420 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001123837 551613760 /nfs/dbraw/zinc/61/37/60/551613760.db2.gz LQFNVGRJLJSFHW-SMSORMJASA-N 0 0 553.615 5.921 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000001123850 551613789 /nfs/dbraw/zinc/61/37/89/551613789.db2.gz HAANTQCRBOPHAB-AWEZNQCLSA-N 0 0 550.429 5.035 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000001132802 551616348 /nfs/dbraw/zinc/61/63/48/551616348.db2.gz RNAXQDLMVGWBAM-DLLPINGYSA-N 0 0 554.643 5.230 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000001136919 551616548 /nfs/dbraw/zinc/61/65/48/551616548.db2.gz IMETWJJBANOZMC-HXUWFJFHSA-N 0 0 514.397 5.046 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001199022 551623058 /nfs/dbraw/zinc/62/30/58/551623058.db2.gz BTEAKCNBQBUOTB-JOCHJYFZSA-N 0 0 507.340 5.178 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001201747 551623514 /nfs/dbraw/zinc/62/35/14/551623514.db2.gz IGNYOIWVTNDFDY-UPCLLVRISA-N 0 0 542.426 5.097 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000001202535 551623860 /nfs/dbraw/zinc/62/38/60/551623860.db2.gz LIHYXEHTTMJYSB-YUDQIZAISA-N 0 0 544.047 6.202 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000001202376 551623867 /nfs/dbraw/zinc/62/38/67/551623867.db2.gz KWLSNHUQYAMMOH-JHOBJCJYSA-N 0 0 509.602 5.809 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000001202605 551623868 /nfs/dbraw/zinc/62/38/68/551623868.db2.gz LQIXZGMQNMHKER-QAZDYGKNSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000001202323 551623879 /nfs/dbraw/zinc/62/38/79/551623879.db2.gz UITAWITTWBGPEA-NJHZRGNWSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000001213255 551625633 /nfs/dbraw/zinc/62/56/33/551625633.db2.gz PEFOWGYDADZLGA-PMERELPUSA-N 0 0 509.602 5.986 50 30 KKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000001237858 551629991 /nfs/dbraw/zinc/62/99/91/551629991.db2.gz REIARYNNAKRYTP-HZYJKNPPSA-N 0 0 527.387 5.456 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000001246294 551631714 /nfs/dbraw/zinc/63/17/14/551631714.db2.gz RODHTOQVGHOHOG-QLXKLKPCSA-N 0 0 526.942 6.812 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2cccs2)cc(OC)c1OC ZINC000001249973 551632227 /nfs/dbraw/zinc/63/22/27/551632227.db2.gz RDRFTBIJDMJKOY-PKHCJMHPSA-N 0 0 584.669 7.127 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc(Br)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000001257684 551633246 /nfs/dbraw/zinc/63/32/46/551633246.db2.gz ISKHHOQNLQZLOT-LYZGTLIUSA-N 0 0 501.424 6.678 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CSc5nc6ccccc6s5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001271903 551635010 /nfs/dbraw/zinc/63/50/10/551635010.db2.gz CMHMWCNZZBUXSO-HSZRJFAPSA-N 0 0 555.685 6.202 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CSc5nc6ccccc6o5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001277552 551635964 /nfs/dbraw/zinc/63/59/64/551635964.db2.gz SAQBUHDNGZXZCG-DEOSSOPVSA-N 0 0 569.643 5.743 50 30 KKEARN COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000001283852 551636759 /nfs/dbraw/zinc/63/67/59/551636759.db2.gz XBDDVOMIBMRMRC-HSZRJFAPSA-N 0 0 541.073 5.908 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001308590 551639633 /nfs/dbraw/zinc/63/96/33/551639633.db2.gz QXIONYISBBJWBJ-KWMCUTETSA-N 0 0 582.575 6.184 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001411043 551664781 /nfs/dbraw/zinc/66/47/81/551664781.db2.gz DUEUSMJXDJPBIS-NDEPHWFRSA-N 0 0 526.589 5.405 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001413290 551665199 /nfs/dbraw/zinc/66/51/99/551665199.db2.gz DRGWDKIKUPJICH-RUZDIDTESA-N 0 0 552.421 5.296 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000001413286 551665221 /nfs/dbraw/zinc/66/52/21/551665221.db2.gz BCGHZHBVGDRKEW-RUZDIDTESA-N 0 0 536.422 5.596 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413402 551665467 /nfs/dbraw/zinc/66/54/67/551665467.db2.gz OTWUBZZULRYWKJ-QFIPXVFZSA-N 0 0 506.967 5.750 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413431 551665497 /nfs/dbraw/zinc/66/54/97/551665497.db2.gz NQSMLHNNPDUBIM-RUZDIDTESA-N 0 0 547.405 5.466 50 30 KKEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1 ZINC000001413451 551665722 /nfs/dbraw/zinc/66/57/22/551665722.db2.gz HPKZYPKLYZRKMQ-XMMPIXPASA-N 0 0 519.370 5.891 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000001413458 551665743 /nfs/dbraw/zinc/66/57/43/551665743.db2.gz AGAHUZXGOMUBTM-DEOSSOPVSA-N 0 0 509.364 6.435 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413480 551665801 /nfs/dbraw/zinc/66/58/01/551665801.db2.gz JLJQKSVRYSBYDQ-VWLOTQADSA-N 0 0 514.965 5.429 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413479 551665848 /nfs/dbraw/zinc/66/58/48/551665848.db2.gz PQJBXOUHDPELIS-AREMUKBSSA-N 0 0 516.981 5.660 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413482 551665856 /nfs/dbraw/zinc/66/58/56/551665856.db2.gz WQYZZCNLGWPAQF-SANMLTNESA-N 0 0 500.982 6.041 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413520 551666005 /nfs/dbraw/zinc/66/60/05/551666005.db2.gz VUYKZUPLIVQULV-MHZLTWQESA-N 0 0 512.562 5.102 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000001413518 551666052 /nfs/dbraw/zinc/66/60/52/551666052.db2.gz ITSLMYJDXCBSGL-VWLOTQADSA-N 0 0 521.400 6.304 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1cccs1 ZINC000001421897 551668507 /nfs/dbraw/zinc/66/85/07/551668507.db2.gz BOOPHPZJMPSMOB-HNNXBMFYSA-N 0 0 516.113 6.709 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000001422759 551668763 /nfs/dbraw/zinc/66/87/63/551668763.db2.gz FPXVCADOXPZNIF-CTUHWIOQSA-N 0 0 523.651 5.251 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(OC)c2OC)sc2c1CCCC2 ZINC000001423167 551669028 /nfs/dbraw/zinc/66/90/28/551669028.db2.gz BHIIEZJKBGWWIV-XMMPIXPASA-N 0 0 550.677 5.427 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000001424261 551669088 /nfs/dbraw/zinc/66/90/88/551669088.db2.gz YYGWCTJLVMLMAB-RUZDIDTESA-N 0 0 562.688 5.775 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cc(OC)ccc2OC)sc2c1CCCC2 ZINC000001424592 551669264 /nfs/dbraw/zinc/66/92/64/551669264.db2.gz CBTPHPNJSNEIBQ-VWLOTQADSA-N 0 0 550.677 5.427 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001426920 551669475 /nfs/dbraw/zinc/66/94/75/551669475.db2.gz HURGMZSYIWUCRO-WGDIFIGCSA-N 0 0 502.567 5.616 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001431213 551669939 /nfs/dbraw/zinc/66/99/39/551669939.db2.gz IZCWNIKIIAQBDA-ZBLYBZFDSA-N 0 0 514.603 5.804 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001431210 551669955 /nfs/dbraw/zinc/66/99/55/551669955.db2.gz ZFCZCTGBUSFSJC-RXFWQSSRSA-N 0 0 500.576 5.761 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001434628 551670619 /nfs/dbraw/zinc/67/06/19/551670619.db2.gz KREKJOJEBLKKAI-NPMXOYFQSA-N 0 0 518.448 6.211 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001434620 551670642 /nfs/dbraw/zinc/67/06/42/551670642.db2.gz SGSCAYVKOAPVHE-AFJIDDCJSA-N 0 0 575.683 5.888 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001434726 551671030 /nfs/dbraw/zinc/67/10/30/551671030.db2.gz PJOAFEBZPSBEJN-PWECECGKSA-N 0 0 511.441 6.507 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(Br)c2)cc1OC ZINC000001434762 551671048 /nfs/dbraw/zinc/67/10/48/551671048.db2.gz 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551673297 /nfs/dbraw/zinc/67/32/97/551673297.db2.gz WDKDRQPLRDTEJR-LJQANCHMSA-N 0 0 556.040 5.223 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445965 551674015 /nfs/dbraw/zinc/67/40/15/551674015.db2.gz WQXBWAFFWRXLDP-INIZCTEOSA-N 0 0 521.611 6.438 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445841 551674073 /nfs/dbraw/zinc/67/40/73/551674073.db2.gz AEUYFQRYTJMXIZ-INIZCTEOSA-N 0 0 516.475 6.665 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000001448316 551674601 /nfs/dbraw/zinc/67/46/01/551674601.db2.gz FHSHCXMWULHETA-UHFFFAOYSA-N 0 0 529.677 6.911 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000001450343 551675335 /nfs/dbraw/zinc/67/53/35/551675335.db2.gz FBHAFASLLPZZCC-RUZDIDTESA-N 0 0 530.602 5.804 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451413 551676006 /nfs/dbraw/zinc/67/60/06/551676006.db2.gz MRYWHYXUMWLBHH-AREMUKBSSA-N 0 0 544.629 6.058 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451428 551676019 /nfs/dbraw/zinc/67/60/19/551676019.db2.gz OOPCMSBZBKIBSG-VWLOTQADSA-N 0 0 544.629 5.976 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000001451419 551676071 /nfs/dbraw/zinc/67/60/71/551676071.db2.gz QHMZDNVKJXCZKS-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000001451984 551676376 /nfs/dbraw/zinc/67/63/76/551676376.db2.gz JCCUGDCWQJOWOU-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000001453812 551676526 /nfs/dbraw/zinc/67/65/26/551676526.db2.gz FHAAAGBQBBZVLT-GFJKYASSSA-N 0 0 596.705 6.997 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccccc1O[C@@H](C)CC 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COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001460805 551678534 /nfs/dbraw/zinc/67/85/34/551678534.db2.gz OQKDXTVNJAMENF-UKPGIYTDSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2F)cc1 ZINC000001460830 551678713 /nfs/dbraw/zinc/67/87/13/551678713.db2.gz UBKOFWFITLNTNA-WENCNXQZSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000001460843 551678743 /nfs/dbraw/zinc/67/87/43/551678743.db2.gz NWEYUORBMKDAQU-UDNBHOFDSA-N 0 0 567.686 5.779 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460983 551679028 /nfs/dbraw/zinc/67/90/28/551679028.db2.gz XHXOHOMMJSDUDH-NLGDKJDOSA-N 0 0 536.672 6.575 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(C)ccc2C)cc1OC ZINC000001461000 551679030 /nfs/dbraw/zinc/67/90/30/551679030.db2.gz 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6.325 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906399 551732082 /nfs/dbraw/zinc/73/20/82/551732082.db2.gz IJVWULPKXSILTM-UHFFFAOYSA-N 0 0 527.031 5.471 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccc(C)cc1 ZINC000001906451 551732087 /nfs/dbraw/zinc/73/20/87/551732087.db2.gz NKYJGWZSWOJMOM-UHFFFAOYSA-N 0 0 530.506 6.524 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001906609 551732277 /nfs/dbraw/zinc/73/22/77/551732277.db2.gz AHVPRFNKYJYJFH-UHFFFAOYSA-N 0 0 530.506 6.140 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1cccc2ccccc21 ZINC000001906629 551732506 /nfs/dbraw/zinc/73/25/06/551732506.db2.gz IKQZVULSJSEKQH-UHFFFAOYSA-N 0 0 532.094 6.716 50 30 KKEARN Brc1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)c1 ZINC000001922391 551734490 /nfs/dbraw/zinc/73/44/90/551734490.db2.gz XEOUHPAQPTXTND-FGZXAJGVSA-N 0 0 529.175 7.278 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000001955127 551735769 /nfs/dbraw/zinc/73/57/69/551735769.db2.gz CHNGAIJQEPNVTJ-RPPGKUMJSA-N 0 0 530.216 7.183 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1O ZINC000001955167 551735803 /nfs/dbraw/zinc/73/58/03/551735803.db2.gz CHBMDTRNUOGXFE-KBKYJPHKSA-N 0 0 550.634 7.528 50 30 KKEARN CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001997854 551736157 /nfs/dbraw/zinc/73/61/57/551736157.db2.gz OWZREIFADZCYQD-QWFCFKBJSA-N 0 0 505.206 6.490 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(I)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002024281 551736451 /nfs/dbraw/zinc/73/64/51/551736451.db2.gz IOUOXCTVEMOIEJ-HSZRJFAPSA-N 0 0 527.402 5.639 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002026097 551736458 /nfs/dbraw/zinc/73/64/58/551736458.db2.gz SHTHKAMHJXRPQD-CAQRMWTPSA-N 0 0 518.613 7.994 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002030047 551736784 /nfs/dbraw/zinc/73/67/84/551736784.db2.gz XKEMUEYVDIOLCB-JXSYCYSGSA-N 0 0 516.685 8.152 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002030083 551736786 /nfs/dbraw/zinc/73/67/86/551736786.db2.gz KWRXYIZHROWWHE-YQPGIBNTSA-N 0 0 533.668 8.103 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(Br)c1OCC ZINC000002053923 551739239 /nfs/dbraw/zinc/73/92/39/551739239.db2.gz PALADLXIJQVTKU-JUPUPRTNSA-N 0 0 505.434 5.497 50 30 KKEARN O=C(Nc1cccc(C#C/C=C/c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000002056026 551739894 /nfs/dbraw/zinc/73/98/94/551739894.db2.gz SMGJYCOEAVUKQA-LREOWRDNSA-N 0 0 532.512 6.073 50 30 KKEARN C=C(C)COc1c(Br)cc(/C=C2/N=C(c3cccc(I)c3)OC2=O)cc1OC ZINC000002061393 551742706 /nfs/dbraw/zinc/74/27/06/551742706.db2.gz XJIDMCATKKQFIJ-CAOOACKPSA-N 0 0 554.178 5.362 50 30 KKEARN C=C(C)COc1c(Br)cc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1OC ZINC000002061394 551742735 /nfs/dbraw/zinc/74/27/35/551742735.db2.gz XJIDMCATKKQFIJ-IUXPMGMMSA-N 0 0 554.178 5.362 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002061983 551742915 /nfs/dbraw/zinc/74/29/15/551742915.db2.gz RHGXARMWCLVIED-MNNSJKJDSA-N 0 0 516.012 6.627 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002061988 551742947 /nfs/dbraw/zinc/74/29/47/551742947.db2.gz RIXJYSLSUUMODO-MHECFPHRSA-N 0 0 514.847 6.417 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000002062036 551743130 /nfs/dbraw/zinc/74/31/30/551743130.db2.gz YPKRIIQTVRPBLZ-XMMPIXPASA-N 0 0 556.453 5.390 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000002062037 551743133 /nfs/dbraw/zinc/74/31/33/551743133.db2.gz YPKRIIQTVRPBLZ-DEOSSOPVSA-N 0 0 556.453 5.390 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)c(Br)c1O ZINC000002062488 551743514 /nfs/dbraw/zinc/74/35/14/551743514.db2.gz UGSRYMZZXIZZJP-XMMPIXPASA-N 0 0 557.282 7.389 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)c(Br)c1O ZINC000002062489 551743549 /nfs/dbraw/zinc/74/35/49/551743549.db2.gz UGSRYMZZXIZZJP-DEOSSOPVSA-N 0 0 557.282 7.389 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002063170 551744133 /nfs/dbraw/zinc/74/41/33/551744133.db2.gz AFFLKLJYCFCCEF-XYFQYJLHSA-N 0 0 537.656 6.587 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063224 551744414 /nfs/dbraw/zinc/74/44/14/551744414.db2.gz JIJGVAKBMFLSFY-MUAVYFROSA-N 0 0 514.021 6.324 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000002063271 551744419 /nfs/dbraw/zinc/74/44/19/551744419.db2.gz GUMYVKCPABEUPT-JHOBJCJYSA-N 0 0 544.047 6.332 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000002064021 551744850 /nfs/dbraw/zinc/74/48/50/551744850.db2.gz HZNDZGZGYNZCAF-UHFFFAOYSA-N 0 0 549.574 7.054 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2I)C2=C(CC(C)(C)CC2=O)N1 ZINC000002066353 551745211 /nfs/dbraw/zinc/74/52/11/551745211.db2.gz MUSBNDGAKWCFSP-HSZRJFAPSA-N 0 0 527.402 5.639 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000002066435 551745218 /nfs/dbraw/zinc/74/52/18/551745218.db2.gz ZGRCGTNOIROAAS-SANMLTNESA-N 0 0 543.582 6.460 50 30 KKEARN Cc1ccc(S(=O)(=O)NC2(Nc3ccc(Cl)cc3)C(Cl)=C(Cl)C(=O)C(Cl)=C2Cl)cc1 ZINC000002066162 551745221 /nfs/dbraw/zinc/74/52/21/551745221.db2.gz MVUVCZNDXYRBHV-UHFFFAOYSA-N 0 0 526.656 5.696 50 30 KKEARN COc1ccc(Cn2c(NC(=O)Cc3cccs3)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002072965 551748036 /nfs/dbraw/zinc/74/80/36/551748036.db2.gz VTLUXFIOEPJOOC-UHFFFAOYSA-N 0 0 503.627 6.993 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C(C)(C)C)cc(-c3ccccc3)c1C#N)CCCC2 ZINC000002074119 551748655 /nfs/dbraw/zinc/74/86/55/551748655.db2.gz HQGSZFJZWHLGDS-UHFFFAOYSA-N 0 0 533.719 6.766 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002074179 551748881 /nfs/dbraw/zinc/74/88/81/551748881.db2.gz DIDKRQQYBTYTJH-ONOMSOESSA-N 0 0 535.637 5.513 50 30 KKEARN COc1ccc(NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccc(OC)cc2)cc1 ZINC000002074490 551749565 /nfs/dbraw/zinc/74/95/65/551749565.db2.gz PJPDTPRGYSACSB-UHFFFAOYSA-N 0 0 560.705 5.439 50 30 KKEARN CC(C)N=C1N(C(C)C)C(=O)[C@@]1(C(=O)C(C)(C)C)[C@]1(C(C)(C)C)OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 ZINC000002077752 551750321 /nfs/dbraw/zinc/75/03/21/551750321.db2.gz YBWZIPXMMDIXFE-VBGSMBLQSA-N 0 0 546.749 5.877 50 30 KKEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000002080633 551751282 /nfs/dbraw/zinc/75/12/82/551751282.db2.gz XZVBBIKWWCKRPC-FSJBWODESA-N 0 0 550.390 6.044 50 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CCOc1cc(Br)cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000002086971 551756591 /nfs/dbraw/zinc/75/65/91/551756591.db2.gz ZPGYHMNTDRSLAA-PYDPJRFUSA-N 0 0 551.506 7.596 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000002087651 551757036 /nfs/dbraw/zinc/75/70/36/551757036.db2.gz AOFXLASKOAMQPN-UHFFFAOYSA-N 0 0 519.475 6.927 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)nc2sc(-c3ccccc3)cc2c1=O ZINC000002087883 551757287 /nfs/dbraw/zinc/75/72/87/551757287.db2.gz BKLQCTCRGNGUTM-UHFFFAOYSA-N 0 0 541.698 6.702 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000002092463 551759350 /nfs/dbraw/zinc/75/93/50/551759350.db2.gz JURAWTDBHDVTHP-DUPRQXJUSA-N 0 0 529.459 8.135 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C2/c3cc(C)cc(Br)c3N(C)C2=O)C(=O)N1c1ccccc1CC ZINC000002093253 551759754 /nfs/dbraw/zinc/75/97/54/551759754.db2.gz MYQKMPAOBVGDFJ-XAAXOCNFSA-N 0 0 560.517 7.038 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000002105677 551763252 /nfs/dbraw/zinc/76/32/52/551763252.db2.gz GEEMMAFOQCFWSG-HHHXNRCGSA-N 0 0 574.519 6.528 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2scc(-c3cccs3)c2c1=O ZINC000002106548 551764358 /nfs/dbraw/zinc/76/43/58/551764358.db2.gz PBNCKKLLIMFBJW-UHFFFAOYSA-N 0 0 557.744 5.830 50 30 KKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4c5cc(OC)ccc5oc4-c4ccccc4)ccc3C2=O)cc1 ZINC000002108038 551765144 /nfs/dbraw/zinc/76/51/44/551765144.db2.gz YDUZBEZHZVGKPK-NTFVMDSBSA-N 0 0 518.521 6.952 50 30 biogenic KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108408 551765863 /nfs/dbraw/zinc/76/58/63/551765863.db2.gz RBDPIRSPAIFZCO-SANMLTNESA-N 0 0 588.926 6.857 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000002112032 551767879 /nfs/dbraw/zinc/76/78/79/551767879.db2.gz QEXYECYBHWJWMS-HHHXNRCGSA-N 0 0 524.126 7.416 50 30 KKEARN N#Cc1c(NC(=O)c2ccc(COc3ccccc3Cl)cc2)sc2c1CCCCCCCCCC2 ZINC000002112456 551768262 /nfs/dbraw/zinc/76/82/62/551768262.db2.gz QAXNEGULWNIBGD-UHFFFAOYSA-N 0 0 507.099 8.324 50 30 KKEARN N#Cc1c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)sc2c1CCCCCCCCCC2 ZINC000002113167 551768491 /nfs/dbraw/zinc/76/84/91/551768491.db2.gz INKIWPBHVPORSM-UHFFFAOYSA-N 0 0 551.550 8.433 50 30 KKEARN COc1cc(Cl)c(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002114318 551768866 /nfs/dbraw/zinc/76/88/66/551768866.db2.gz UDQDGSWZBUPLLZ-UHFFFAOYSA-N 0 0 534.096 7.556 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c(OCC)c(OC)c1)N(C(=O)CC)c1ccccc1-2 ZINC000002114391 551769017 /nfs/dbraw/zinc/76/90/17/551769017.db2.gz WOZCVMSXJSCZGZ-DEOSSOPVSA-N 0 0 557.470 5.821 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000002123283 551771305 /nfs/dbraw/zinc/77/13/05/551771305.db2.gz HNGRKTUEGBNKSQ-DEDYPNTBSA-N 0 0 535.430 5.661 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c(Br)c(Br)c1O ZINC000002141866 551774940 /nfs/dbraw/zinc/77/49/40/551774940.db2.gz SJANIYDDBNTBRM-LQHOMPMXSA-N 0 0 556.276 5.566 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccc4)cc(C(F)(F)F)n3)sc2C1 ZINC000002143481 551775625 /nfs/dbraw/zinc/77/56/25/551775625.db2.gz KXEOPRNZUPVGRD-INIZCTEOSA-N 0 0 530.641 6.977 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)cc1 ZINC000002151428 551778384 /nfs/dbraw/zinc/77/83/84/551778384.db2.gz FQFBZIDMLHCLOU-HHHXNRCGSA-N 0 0 513.037 6.630 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151443 551778393 /nfs/dbraw/zinc/77/83/93/551778393.db2.gz IAEYLPZUGORRJB-HHHXNRCGSA-N 0 0 587.514 6.767 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccccc3C(F)(F)F)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152013 551779007 /nfs/dbraw/zinc/77/90/07/551779007.db2.gz KUPDCIMIJSVIAB-MHZLTWQESA-N 0 0 590.598 6.743 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3C(F)(F)F)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152003 551779013 /nfs/dbraw/zinc/77/90/13/551779013.db2.gz OIUBQNKTKOUDDT-AREMUKBSSA-N 0 0 546.545 6.407 50 30 KKEARN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c2ccccc21 ZINC000002173580 551782522 /nfs/dbraw/zinc/78/25/22/551782522.db2.gz LUVIJJKWSJQESP-XNENXQGPSA-N 0 0 585.729 5.647 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000002181685 551785403 /nfs/dbraw/zinc/78/54/03/551785403.db2.gz BDKFGUDGGMRTSC-JFLMPSFJSA-N 0 0 504.637 6.811 50 30 KKEARN CCOc1nc2sc3c(nnnc3N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c(-c2ccccc2)c1C#N ZINC000002182867 551785855 /nfs/dbraw/zinc/78/58/55/551785855.db2.gz XVXDGOZIDDJHHF-UHFFFAOYSA-N 0 0 561.593 5.917 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002185566 551786566 /nfs/dbraw/zinc/78/65/66/551786566.db2.gz RTAJDTNBBMIRIQ-JHOBJCJYSA-N 0 0 588.498 6.442 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000002185603 551786776 /nfs/dbraw/zinc/78/67/76/551786776.db2.gz RHLUIVIWLFASGJ-ROTAYESASA-N 0 0 588.056 6.061 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185670 551786777 /nfs/dbraw/zinc/78/67/77/551786777.db2.gz LWQKHZXICMJDJJ-QUGAMOGWSA-N 0 0 509.986 5.392 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000002185687 551786778 /nfs/dbraw/zinc/78/67/78/551786778.db2.gz KBCFUUIYAJMKDO-SLQAJWMNSA-N 0 0 594.502 6.424 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000002185606 551786789 /nfs/dbraw/zinc/78/67/89/551786789.db2.gz RHLUIVIWLFASGJ-BGOLNKOXSA-N 0 0 588.056 6.061 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000002185686 551786795 /nfs/dbraw/zinc/78/67/95/551786795.db2.gz KBCFUUIYAJMKDO-ADXZGYQBSA-N 0 0 594.502 6.424 50 30 KKEARN O=C1SC(c2cc(I)ccc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002187727 551788160 /nfs/dbraw/zinc/78/81/60/551788160.db2.gz WHLPQWCBSBLFPN-CIAFOILYSA-N 0 0 531.802 6.585 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000002190013 551789486 /nfs/dbraw/zinc/78/94/86/551789486.db2.gz WBOZUYUKZSZPMJ-MGBGTMOVSA-N 0 0 568.069 8.119 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000002190014 551789488 /nfs/dbraw/zinc/78/94/88/551789488.db2.gz WBOZUYUKZSZPMJ-XIFFEERXSA-N 0 0 568.069 8.119 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000002190954 551789891 /nfs/dbraw/zinc/78/98/91/551789891.db2.gz FTRQOONAHHINIM-IQMFZBJNSA-N 0 0 550.515 6.308 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191788 551790267 /nfs/dbraw/zinc/79/02/67/551790267.db2.gz OYCIWYKVZVMBSR-SHACYNPGSA-N 0 0 523.577 5.053 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191785 551790294 /nfs/dbraw/zinc/79/02/94/551790294.db2.gz BHSHQFHLRUBLPQ-IZHWHUGBSA-N 0 0 523.577 5.053 50 30 KKEARN COc1c(Cl)cc(Cl)cc1/C=N/N1C(=O)c2ccc([N+](=O)[O-])cc2N[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000002192754 551791138 /nfs/dbraw/zinc/79/11/38/551791138.db2.gz DSPBPEGWQSYELX-NYSBMRNASA-N 0 0 570.216 6.826 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002192995 551791299 /nfs/dbraw/zinc/79/12/99/551791299.db2.gz XJOHLEBQIZJWPC-MUUNZHRXSA-N 0 0 502.010 6.947 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CO/N=C/c4ccccc4Cl)nc3c1[C@H]2c1ccccc1 ZINC000002199338 551792448 /nfs/dbraw/zinc/79/24/48/551792448.db2.gz WVCWTGJJONNZLV-MIABILBPSA-N 0 0 513.985 5.496 50 30 KKEARN CCOc1cc(C=C2C(=O)OC(c3ccc(SC)cc3)OC2=O)ccc1OCc1ccccc1C#N ZINC000002213454 551794617 /nfs/dbraw/zinc/79/46/17/551794617.db2.gz BVZUVOSGZBFSSM-UHFFFAOYSA-N 0 0 501.560 5.440 50 30 KKEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002233231 551797960 /nfs/dbraw/zinc/79/79/60/551797960.db2.gz MGTFOTQNYRMOEH-UHFFFAOYSA-N 0 0 538.749 5.909 50 30 KKEARN COc1ccccc1C=CC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(Cl)cc2)N1 ZINC000002256710 551803038 /nfs/dbraw/zinc/80/30/38/551803038.db2.gz RXPNRYHXKYJZTN-VOCPSOEZSA-N 0 0 518.404 6.300 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000002259401 551803761 /nfs/dbraw/zinc/80/37/61/551803761.db2.gz MKUNYHIAHIKVBM-JBOQNHBVSA-N 0 0 528.649 6.486 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)c1cccc(Br)c1 ZINC000002278615 551805724 /nfs/dbraw/zinc/80/57/24/551805724.db2.gz UJSRBLNPAWEWKI-UHFFFAOYSA-N 0 0 521.415 6.132 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCC ZINC000002298930 551807429 /nfs/dbraw/zinc/80/74/29/551807429.db2.gz 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5.476 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000002281510 552086943 /nfs/dbraw/zinc/08/69/43/552086943.db2.gz KKPPBHAHYDKKNR-XODNFHPESA-N 0 0 524.436 7.436 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000002306537 552090338 /nfs/dbraw/zinc/09/03/38/552090338.db2.gz GZEBOWCQPFDVMC-MTDXEUNCSA-N 0 0 526.500 6.525 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002312452 552091175 /nfs/dbraw/zinc/09/11/75/552091175.db2.gz MTAOSBBBFODGKF-UHFFFAOYSA-N 0 0 536.657 6.537 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000002341791 552098108 /nfs/dbraw/zinc/09/81/08/552098108.db2.gz ALANMRZWSACBCF-UHFFFAOYSA-N 0 0 521.527 5.949 50 30 KKEARN N#Cc1cc(Sc2ccc(Br)cc2)c(Sc2ccc(Br)cc2)cc1C#N ZINC000002378269 552107211 /nfs/dbraw/zinc/10/72/11/552107211.db2.gz LHRSUNRUYPTVIV-UHFFFAOYSA-N 0 0 502.256 7.257 50 30 KKEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2C1=O 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COc1cc(/C=C2/N=C(c3cc(I)ccc3Cl)SC2=O)cc(OC)c1OC ZINC000002771272 552184544 /nfs/dbraw/zinc/18/45/44/552184544.db2.gz YGDKWTMBTIWIBV-MKMNVTDBSA-N 0 0 515.756 5.032 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002771764 552184552 /nfs/dbraw/zinc/18/45/52/552184552.db2.gz IZBJYMSIRNXXOS-UQBPGWFLSA-N 0 0 527.042 5.906 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002771986 552184976 /nfs/dbraw/zinc/18/49/76/552184976.db2.gz HRTXCNQQVJLUSI-JIPXPUAJSA-N 0 0 535.662 5.140 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002772168 552185272 /nfs/dbraw/zinc/18/52/72/552185272.db2.gz DPWXGVCVRALMIA-XHCCPWGMSA-N 0 0 503.595 5.871 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002774624 552186190 /nfs/dbraw/zinc/18/61/90/552186190.db2.gz XQNJTGVIKZTDHF-DWXRJYCRSA-N 0 0 554.437 5.119 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000002774621 552186191 /nfs/dbraw/zinc/18/61/91/552186191.db2.gz PZVNRLFAXIEVKY-FQRUVTKNSA-N 0 0 512.071 6.007 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000002774619 552186196 /nfs/dbraw/zinc/18/61/96/552186196.db2.gz PZVNRLFAXIEVKY-RXFWQSSRSA-N 0 0 512.071 6.007 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002775262 552186474 /nfs/dbraw/zinc/18/64/74/552186474.db2.gz PZLLNCFVZNIKIW-OOWIMERYSA-N 0 0 523.629 6.199 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Br)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002775902 552186957 /nfs/dbraw/zinc/18/69/57/552186957.db2.gz OEKLECLGOFBCOF-CJAUYULYSA-N 0 0 528.874 6.663 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775863 552186984 /nfs/dbraw/zinc/18/69/84/552186984.db2.gz HVHJXJOPCWBFIH-FQRUVTKNSA-N 0 0 522.623 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KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002886857 552209511 /nfs/dbraw/zinc/20/95/11/552209511.db2.gz VYVJWDDIHRFVES-UHFFFAOYSA-N 0 0 515.660 6.595 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000002888969 552210267 /nfs/dbraw/zinc/21/02/67/552210267.db2.gz RFDLZWVLFMVMGN-UHFFFAOYSA-N 0 0 564.107 7.486 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1nsc(-c2ccccc2)n1 ZINC000002890693 552211208 /nfs/dbraw/zinc/21/12/08/552211208.db2.gz BZBDFOJXFDQUAY-UHFFFAOYSA-N 0 0 517.661 5.560 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000002890688 552211257 /nfs/dbraw/zinc/21/12/57/552211257.db2.gz SAYGKFCSDPWCKU-UHFFFAOYSA-N 0 0 596.759 7.327 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3nsc(-c4ccc(Cl)cc4)n3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002890801 552211477 /nfs/dbraw/zinc/21/14/77/552211477.db2.gz KQXMBZUOVYULIH-UHFFFAOYSA-N 0 0 590.130 6.687 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002924202 552222372 /nfs/dbraw/zinc/22/23/72/552222372.db2.gz AOTWQGYATWFGEY-RNWIMVQKSA-N 0 0 558.472 6.433 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002925323 552222789 /nfs/dbraw/zinc/22/27/89/552222789.db2.gz UURWFLLNHCITPQ-DFBJGRDBSA-N 0 0 510.974 5.190 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925452 552223256 /nfs/dbraw/zinc/22/32/56/552223256.db2.gz OHCIXQKIBLKSTK-KPURRNSFSA-N 0 0 543.019 6.396 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926107 552223964 /nfs/dbraw/zinc/22/39/64/552223964.db2.gz NHOYONUDLMVMLP-MNNSJKJDSA-N 0 0 548.466 6.977 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926103 552223972 /nfs/dbraw/zinc/22/39/72/552223972.db2.gz 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Cc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000003044232 552275129 /nfs/dbraw/zinc/27/51/29/552275129.db2.gz JVSNMJJRTDIUES-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC(Sc2ccc(Cl)cc2)=C1CS(=O)(=O)c1ccccc1 ZINC000003048758 552276607 /nfs/dbraw/zinc/27/66/07/552276607.db2.gz YWBQUFQHTAKQQB-SFHVURJKSA-N 0 0 503.472 6.960 50 30 KKEARN Cc1cc(I)c(O)c(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 ZINC000003050803 552277114 /nfs/dbraw/zinc/27/71/14/552277114.db2.gz AOFGVFYJNGEMTI-BHGWPJFGSA-N 0 0 533.163 6.627 50 30 KKEARN COC(=O)c1ccccc1Sc1c(/C=N/OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1C ZINC000003052491 552278794 /nfs/dbraw/zinc/27/87/94/552278794.db2.gz DPNGURWZMNKWFM-YPXUMCKCSA-N 0 0 518.344 6.234 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000003066654 552284990 /nfs/dbraw/zinc/28/49/90/552284990.db2.gz RIHWMXVECDDRBW-JQAMDZJQSA-N 0 0 571.052 7.791 50 30 KKEARN N#Cc1c(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000003066909 552284997 /nfs/dbraw/zinc/28/49/97/552284997.db2.gz RPUQUYISZWORHI-KRWDZBQOSA-N 0 0 507.668 5.799 50 30 KKEARN COc1cc(Br)c(OC)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000003073692 552285339 /nfs/dbraw/zinc/28/53/39/552285339.db2.gz MCGSYAHIKRKUBB-HSZRJFAPSA-N 0 0 532.475 5.946 50 30 KKEARN COc1cccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5)c(OC)c4)ccc3o2)c1 ZINC000003079765 552285584 /nfs/dbraw/zinc/28/55/84/552285584.db2.gz BKBIXXCOPLNNLT-KBVAKVRCSA-N 0 0 512.949 7.135 50 30 KKEARN Clc1cccc(Cl)c1/C=N/c1ccc(Oc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2)cc1 ZINC000003083717 552285812 /nfs/dbraw/zinc/28/58/12/552285812.db2.gz KHXAWWQXGLTTGI-IHXWQEJPSA-N 0 0 514.239 9.594 50 30 KKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3o2)cc1C ZINC000003083632 552285817 /nfs/dbraw/zinc/28/58/17/552285817.db2.gz NNTQNCJHZMGXHO-KBVAKVRCSA-N 0 0 525.402 7.844 50 30 KKEARN O=C(Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003087893 552286383 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Cc1cc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003347678 552365670 /nfs/dbraw/zinc/36/56/70/552365670.db2.gz IOTFJHXPOBTYQZ-UHFFFAOYSA-N 0 0 534.559 7.176 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4sc5c(c4c(=O)n3CC(C)C)CCCC5)sc2C1 ZINC000003354239 552368155 /nfs/dbraw/zinc/36/81/55/552368155.db2.gz AJQIRUZXHITYKX-GOSISDBHSA-N 0 0 582.861 7.198 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003356876 552369312 /nfs/dbraw/zinc/36/93/12/552369312.db2.gz WSVHYFXMPGMOGX-UHFFFAOYSA-N 0 0 512.974 7.149 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)COc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003357995 552369796 /nfs/dbraw/zinc/36/97/96/552369796.db2.gz CFQYGEIKSNTQSC-UHFFFAOYSA-N 0 0 512.518 5.063 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000003366601 552373643 /nfs/dbraw/zinc/37/36/43/552373643.db2.gz VRZHBHVRPVUHOR-UHFFFAOYSA-N 0 0 538.021 5.802 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3oc4ccccc4c3COc3ccccc3)sc2C1 ZINC000003375996 552376357 /nfs/dbraw/zinc/37/63/57/552376357.db2.gz QCYGEEUVKUYYPU-QGZVFWFLSA-N 0 0 500.576 5.865 50 30 KKEARN Cc1ccc(-n2c(SCCC(=O)Nc3sc4c(c3C#N)CCCCC4)nnc2-c2ccccc2)cc1C ZINC000003384247 552378686 /nfs/dbraw/zinc/37/86/86/552378686.db2.gz NLZQXFLCSATICB-UHFFFAOYSA-N 0 0 527.719 6.874 50 30 KKEARN COc1ccc(Cl)cc1-n1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003412994 552382374 /nfs/dbraw/zinc/38/23/74/552382374.db2.gz YNTUAXOVVBGUQT-WZQKQDCOSA-N 0 0 545.130 5.381 50 30 KKEARN COc1ccc(Cl)cc1-n1c(SCC(=O)N[C@](C)(C#N)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003412997 552382403 /nfs/dbraw/zinc/38/24/03/552382403.db2.gz YNTUAXOVVBGUQT-QWXGXRTQSA-N 0 0 545.130 5.381 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)cc3n2)cc1 ZINC000003629502 552396298 /nfs/dbraw/zinc/39/62/98/552396298.db2.gz XIPSFBQKNBHORV-QGZVFWFLSA-N 0 0 537.611 7.060 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)cc3n2)cc1 ZINC000003629500 552396322 /nfs/dbraw/zinc/39/63/22/552396322.db2.gz XIPSFBQKNBHORV-KRWDZBQOSA-N 0 0 537.611 7.060 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1coc2ccccc2c1=O ZINC000003639464 552399293 /nfs/dbraw/zinc/39/92/93/552399293.db2.gz BDGMDICTFAUOEB-OLILMLBXSA-N 0 0 543.616 5.131 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000003639572 552399644 /nfs/dbraw/zinc/39/96/44/552399644.db2.gz LSANRHLWZKUHEJ-AFMDSPMNSA-N 0 0 511.640 5.095 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000003639531 552399656 /nfs/dbraw/zinc/39/96/56/552399656.db2.gz YHYZKPNLLJMPCY-MHECFPHRSA-N 0 0 512.653 5.623 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OCC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000003640090 552399841 /nfs/dbraw/zinc/39/98/41/552399841.db2.gz SWCOVLVYMYQXDW-WINIVTDRSA-N 0 0 511.640 5.097 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OCCC)c2)nc1C ZINC000003643620 552400859 /nfs/dbraw/zinc/40/08/59/552400859.db2.gz KBDNOABFTCWNOQ-JOCHJYFZSA-N 0 0 516.575 5.439 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000003643642 552401138 /nfs/dbraw/zinc/40/11/38/552401138.db2.gz SHROAPUULDTGIQ-QHCPKHFHSA-N 0 0 546.601 5.448 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C=Nc3ccc(C)cc3C)c3ccccc3C2c2ccccc21 ZINC000003663700 552408040 /nfs/dbraw/zinc/40/80/40/552408040.db2.gz WEHRXEJTYQXHOW-VKECNIGMSA-N 0 0 526.636 6.655 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C=Nc3ccc(CC)cc3)c3ccccc3C2c2ccccc21 ZINC000003663851 552408101 /nfs/dbraw/zinc/40/81/01/552408101.db2.gz RTEUEDCLLRKRJV-CRMQRMCISA-N 0 0 526.636 6.601 50 30 KKEARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3s2)cc1 ZINC000003664095 552408305 /nfs/dbraw/zinc/40/83/05/552408305.db2.gz WYOYUQLSYXJNIP-WKULSOCRSA-N 0 0 527.627 6.423 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1)NCCOc1ccccc1 ZINC000003668668 552410228 /nfs/dbraw/zinc/41/02/28/552410228.db2.gz MIJJHOREEGXHKX-CCVNUDIWSA-N 0 0 500.020 6.127 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1)Nc1ccccc1C(F)(F)F ZINC000003669047 552410432 /nfs/dbraw/zinc/41/04/32/552410432.db2.gz PJPRUBPDEXTIRS-XAZZYMPDSA-N 0 0 537.588 7.655 50 30 KKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Br)ccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000003669375 552410708 /nfs/dbraw/zinc/41/07/08/552410708.db2.gz WNMOWXUNPHUDNW-DEOSSOPVSA-N 0 0 525.443 7.169 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1csc2c1CCCC2 ZINC000003764234 552413779 /nfs/dbraw/zinc/41/37/79/552413779.db2.gz IXQXCVADJNDXDV-UHFFFAOYSA-N 0 0 576.600 7.156 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000004045011 552430575 /nfs/dbraw/zinc/43/05/75/552430575.db2.gz VIOKYNNTFSNGNX-PPFNPFNJSA-N 0 0 527.676 6.982 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004048135 552431594 /nfs/dbraw/zinc/43/15/94/552431594.db2.gz GJVIAGAUPRGYFR-DXPJPUQTSA-N 0 0 509.831 7.091 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000004048124 552431645 /nfs/dbraw/zinc/43/16/45/552431645.db2.gz XSUGNGIGPDBRCD-OGVWKLGRSA-N 0 0 502.614 7.254 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004048133 552431700 /nfs/dbraw/zinc/43/17/00/552431700.db2.gz GJVIAGAUPRGYFR-QMTYFTJSSA-N 0 0 509.831 7.091 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1N2 ZINC000004065519 552432186 /nfs/dbraw/zinc/43/21/86/552432186.db2.gz GPOOWCWUFJXPOT-QNLPTKCRSA-N 0 0 507.033 7.899 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000004065668 552432416 /nfs/dbraw/zinc/43/24/16/552432416.db2.gz OZYKUQUTYANVDW-DLLPINGYSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004065781 552432465 /nfs/dbraw/zinc/43/24/65/552432465.db2.gz KRTVRUGUIIJDLW-NJHZRGNWSA-N 0 0 523.629 6.199 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000004067544 552433002 /nfs/dbraw/zinc/43/30/02/552433002.db2.gz GQAOCDIPWHYEFI-OOWIMERYSA-N 0 0 523.629 5.938 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000004067943 552433200 /nfs/dbraw/zinc/43/32/00/552433200.db2.gz AABDQTZCKRRKBI-RBTNQOKQSA-N 0 0 524.057 6.308 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(OC)cc3)C4)ccc21 ZINC000004080229 552433393 /nfs/dbraw/zinc/43/33/93/552433393.db2.gz ZFRYDJVSUQJSSM-GRMGDBHTSA-N 0 0 513.641 7.803 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000004081990 552433624 /nfs/dbraw/zinc/43/36/24/552433624.db2.gz NYBVZQLZJCWAEK-JWIGPWBQSA-N 0 0 533.411 7.088 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000004080876 552433674 /nfs/dbraw/zinc/43/36/74/552433674.db2.gz LOASNIOZBWYJBS-GZGVDWRWSA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000004081994 552433816 /nfs/dbraw/zinc/43/38/16/552433816.db2.gz NYBVZQLZJCWAEK-RKOGDMNLSA-N 0 0 533.411 7.088 50 30 biogenic KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc3ccccc3c2)N(CCc2ccccc2)C1=O ZINC000004089415 552434703 /nfs/dbraw/zinc/43/47/03/552434703.db2.gz FKLKOZWLQOERSU-HEOGJXGISA-N 0 0 528.102 7.710 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1cccs1 ZINC000004090235 552434944 /nfs/dbraw/zinc/43/49/44/552434944.db2.gz RTKPHBOTEQFODK-RDRPBHBLSA-N 0 0 537.605 6.094 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc(C(F)(F)F)c2)N(CCc2ccccc2)C1=O ZINC000004091123 552435121 /nfs/dbraw/zinc/43/51/21/552435121.db2.gz NBXMESLHVPVZPC-FAQKXUDXSA-N 0 0 546.039 7.576 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc3ncccc23)N(CCc2ccccc2)C1=O ZINC000004091128 552435189 /nfs/dbraw/zinc/43/51/89/552435189.db2.gz SGJSECWRJNFPOS-OIVRPFDISA-N 0 0 529.090 7.105 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc3ncccc3c2)N(CCc2ccccc2)C1=O ZINC000004091130 552435211 /nfs/dbraw/zinc/43/52/11/552435211.db2.gz OXFOTVDKZFWSRM-OIVRPFDISA-N 0 0 529.090 7.105 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)c(C)c1 ZINC000004091146 552435374 /nfs/dbraw/zinc/43/53/74/552435374.db2.gz KFZCRTHFHBDASM-KIFPJBGMSA-N 0 0 563.192 7.711 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)S2)cc1 ZINC000004106896 552437124 /nfs/dbraw/zinc/43/71/24/552437124.db2.gz LHTHVAOCUDQZFS-OGLMXYFKSA-N 0 0 544.076 7.227 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc3ccccc32)N(C2CCCCC2)C1=O ZINC000004108272 552437169 /nfs/dbraw/zinc/43/71/69/552437169.db2.gz UUVYEBCVERYPTL-NPGLLJSBSA-N 0 0 506.096 7.800 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cn(Cc3ccc(F)cc3)c3ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000004108731 552437357 /nfs/dbraw/zinc/43/73/57/552437357.db2.gz WRFBAGZQSXHSSS-MYOXROBESA-N 0 0 525.583 6.055 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(N(C)C)cc2)CC[C@H](C)C3)c(OC)c1OC ZINC000004108824 552437393 /nfs/dbraw/zinc/43/73/93/552437393.db2.gz WSXCWDAFXWMKLO-VBICMNQQSA-N 0 0 507.656 5.968 50 30 KKEARN Clc1cc(Cl)c([N-][NH+]=Cc2ccc(C=NNc3c(Cl)cc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000004109146 552437422 /nfs/dbraw/zinc/43/74/22/552437422.db2.gz VAKBJVMCHQMWIF-YEBYOEETSA-N 0 0 521.062 8.499 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004111984 552438199 /nfs/dbraw/zinc/43/81/99/552438199.db2.gz NVUMFIZZQFIAQW-JHOBJCJYSA-N 0 0 544.047 6.549 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000004112740 552438366 /nfs/dbraw/zinc/43/83/66/552438366.db2.gz CKZDZDODDIJRTB-QYBDOPJKSA-N 0 0 576.542 6.756 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004112016 552438372 /nfs/dbraw/zinc/43/83/72/552438372.db2.gz WVUNPFLTSNCLQZ-AYWVHJORSA-N 0 0 528.048 6.844 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000004118863 552438887 /nfs/dbraw/zinc/43/88/87/552438887.db2.gz GHWFOOWEBSNKDG-YOIUXKKVSA-N 0 0 590.120 8.356 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000004181255 552446601 /nfs/dbraw/zinc/44/66/01/552446601.db2.gz XMDDOMMTLUXGFS-RPPGKUMJSA-N 0 0 511.325 6.168 50 30 KKEARN N#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)c(C#N)c5)cc4)c4ccccc4-c4ccccc43)cc2)cc1C#N ZINC000004577177 552468458 /nfs/dbraw/zinc/46/84/58/552468458.db2.gz SITDRIYEPDWSPJ-UHFFFAOYSA-N 0 0 602.653 9.121 50 30 KKEARN CS/C(=N\N=C\c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000004622424 552469169 /nfs/dbraw/zinc/46/91/69/552469169.db2.gz RDSFDYOHURXXCS-CCVNUDIWSA-N 0 0 584.070 6.304 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004635182 552469490 /nfs/dbraw/zinc/46/94/90/552469490.db2.gz KPRKSUUYBNLQDV-DEOSSOPVSA-N 0 0 525.819 6.949 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004636615 552469836 /nfs/dbraw/zinc/46/98/36/552469836.db2.gz PTJFSOIDZBPRGK-PIIWDFAUSA-N 0 0 516.613 6.687 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004637358 552469861 /nfs/dbraw/zinc/46/98/61/552469861.db2.gz JUSDOPZAJKQOQS-WTYVLRPYSA-N 0 0 500.545 5.974 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000004681414 552471431 /nfs/dbraw/zinc/47/14/31/552471431.db2.gz RUSPVENDJMIUQV-XCZPVHLTSA-N 0 0 525.626 5.805 50 30 KKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793391 552485310 /nfs/dbraw/zinc/48/53/10/552485310.db2.gz UXTDAJMTQZXKME-NRFANRHFSA-N 0 0 510.034 6.364 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2ccccc2F)c2ccccc12 ZINC000005225833 552495858 /nfs/dbraw/zinc/49/58/58/552495858.db2.gz JNZZBOFJGCKAMM-MGBGTMOVSA-N 0 0 500.617 8.291 50 30 biogenic KKEARN Cc1c(C#N)c2nc3ccccc3n2c(NN(Cc2ccc(Cl)cc2Cl)Cc2ccc(Cl)cc2Cl)c1Cc1ccccc1 ZINC000005296155 552496798 /nfs/dbraw/zinc/49/67/98/552496798.db2.gz RHMCIDDRKBEVFX-UHFFFAOYSA-N 0 0 645.421 9.901 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=NNc2ccccc2)c2cc(S(=O)(=O)Nc4ccc(C)cc4)ccc2-3)cc1 ZINC000005345052 552497879 /nfs/dbraw/zinc/49/78/79/552497879.db2.gz YJFWHQAMIYPGLL-UHFFFAOYSA-N 0 0 608.745 6.750 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005355340 552498670 /nfs/dbraw/zinc/49/86/70/552498670.db2.gz BGRHDNBMPHXXDE-VWLOTQADSA-N 0 0 562.688 6.632 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355969 552499022 /nfs/dbraw/zinc/49/90/22/552499022.db2.gz RGVSBILKJOAWPU-QHCPKHFHSA-N 0 0 534.634 5.898 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357212 552499181 /nfs/dbraw/zinc/49/91/81/552499181.db2.gz BTNBEKOMQNTTSR-QHCPKHFHSA-N 0 0 532.618 5.593 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357069 552499320 /nfs/dbraw/zinc/49/93/20/552499320.db2.gz LOLVDACRJBULKH-RUZDIDTESA-N 0 0 560.672 6.408 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357188 552499405 /nfs/dbraw/zinc/49/94/05/552499405.db2.gz DRMWHLXMODOXMZ-QFIPXVFZSA-N 0 0 518.591 5.203 50 30 KKEARN CCN(CC)c1nc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000005596976 552505497 /nfs/dbraw/zinc/50/54/97/552505497.db2.gz SZTBBMVJWMCASD-AABVJFSESA-N 0 0 607.977 8.179 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005918594 552511709 /nfs/dbraw/zinc/51/17/09/552511709.db2.gz ZBZNHZLOUCVENJ-NGOKVRLYSA-N 0 0 512.606 5.753 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927762 552513107 /nfs/dbraw/zinc/51/31/07/552513107.db2.gz JJCWGDOGMGWAOV-DEOSSOPVSA-N 0 0 548.661 6.242 50 30 KKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005946717 552515533 /nfs/dbraw/zinc/51/55/33/552515533.db2.gz LDVRSCVKOXAOLH-PVAZPRTOSA-N 0 0 554.750 8.910 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000005950078 552516377 /nfs/dbraw/zinc/51/63/77/552516377.db2.gz DCEWQILGIJZSJN-HRFSGMKKSA-N 0 0 529.731 6.818 50 30 KKEARN Cc1c(O)c(C)c(Cl)c(/N=C(/NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1Cl ZINC000006023503 552520235 /nfs/dbraw/zinc/52/02/35/552520235.db2.gz WXBCHPPCNNYIDL-UHFFFAOYSA-N 0 0 528.255 6.135 50 30 KKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3O)n2)cc1 ZINC000006041170 552520968 /nfs/dbraw/zinc/52/09/68/552520968.db2.gz BWQUGYLUPIKCQY-RDRPBHBLSA-N 0 0 517.427 6.904 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 ZINC000006077181 552528510 /nfs/dbraw/zinc/52/85/10/552528510.db2.gz KIJQWXOZLHENIS-JGCGQSQUSA-N 0 0 568.674 5.731 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000006077122 552528519 /nfs/dbraw/zinc/52/85/19/552528519.db2.gz OWAHOZWZWWNJAL-HKBQPEDESA-N 0 0 512.024 8.521 50 30 KKEARN COc1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccc(Cl)cc1Cl ZINC000006077133 552528547 /nfs/dbraw/zinc/52/85/47/552528547.db2.gz IKRUEPWKIWXHJR-HKBQPEDESA-N 0 0 558.505 9.044 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006135392 552539464 /nfs/dbraw/zinc/53/94/64/552539464.db2.gz SHOGZKLVWDHVIY-UHFFFAOYSA-N 0 0 528.077 7.551 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(F)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000006136407 552541720 /nfs/dbraw/zinc/54/17/20/552541720.db2.gz FNRIGPZGAQNUSX-UHFFFAOYSA-N 0 0 575.665 7.745 50 30 KKEARN COc1ccc(C(=O)CSc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c2C#N)CCCC3)cc1 ZINC000006136561 552542134 /nfs/dbraw/zinc/54/21/34/552542134.db2.gz UOJAHRMPPARGJE-UHFFFAOYSA-N 0 0 520.654 7.062 50 30 KKEARN O=C1N=C(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000006142428 552543514 /nfs/dbraw/zinc/54/35/14/552543514.db2.gz CSBFAOUFRCUMCL-JDLKFOHLSA-N 0 0 511.447 6.148 50 30 KKEARN CCOC(=O)c1sc(N=NC(C(=O)Nc2ccc(C)cc2C)C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000006142316 552543587 /nfs/dbraw/zinc/54/35/87/552543587.db2.gz ATQMFDWFJNDJFB-SWKFRHMKSA-N 0 0 580.619 5.224 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000006143550 552545143 /nfs/dbraw/zinc/54/51/43/552545143.db2.gz LBPOFPJNLJDILH-VWLOTQADSA-N 0 0 576.627 5.512 50 30 KKEARN N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Br)cc1 ZINC000006144192 552545848 /nfs/dbraw/zinc/54/58/48/552545848.db2.gz SFKDAWJEBBZDPP-UHFFFAOYSA-N 0 0 526.286 8.649 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 ZINC000006156983 552552686 /nfs/dbraw/zinc/55/26/86/552552686.db2.gz SSSAJGIRACWMAL-INJOXJOKSA-N 0 0 502.614 7.254 50 30 KKEARN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006157030 552552687 /nfs/dbraw/zinc/55/26/87/552552687.db2.gz UPSUJOHDZRKXOM-UHFFFAOYSA-N 0 0 544.032 6.467 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000006157010 552552689 /nfs/dbraw/zinc/55/26/89/552552689.db2.gz IRUOOBUIKRBEMM-UHFFFAOYSA-N 0 0 571.127 7.492 50 30 KKEARN Cc1ccc(S(=O)(=O)NC2=C(N3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000006161716 552554375 /nfs/dbraw/zinc/55/43/75/552554375.db2.gz BOZSPICTCYFKCV-GXVXDJONSA-N 0 0 577.706 5.655 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162101 552555175 /nfs/dbraw/zinc/55/51/75/552555175.db2.gz ZISUGDMAELGVMF-SMSORMJASA-N 0 0 533.665 6.196 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162104 552555198 /nfs/dbraw/zinc/55/51/98/552555198.db2.gz ZCLGIQHUEBVUQB-SMSORMJASA-N 0 0 533.665 6.198 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000006162501 552555204 /nfs/dbraw/zinc/55/52/04/552555204.db2.gz HLTQVEBCAIVRDO-KCWXNJEJSA-N 0 0 535.637 5.426 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006191020 552564534 /nfs/dbraw/zinc/56/45/34/552564534.db2.gz LGVZKSZWRRFOFJ-UHFFFAOYSA-N 0 0 585.575 7.815 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006191021 552564554 /nfs/dbraw/zinc/56/45/54/552564554.db2.gz HIHZOCBGKKKIBK-UHFFFAOYSA-N 0 0 525.472 7.973 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2C#N)cc1OC ZINC000006195286 552567335 /nfs/dbraw/zinc/56/73/35/552567335.db2.gz WLEVTFUTGBGCNH-UHFFFAOYSA-N 0 0 544.076 7.306 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006195949 552568191 /nfs/dbraw/zinc/56/81/91/552568191.db2.gz JVDAOYWXPIQZNT-LGGPFLRQSA-N 0 0 535.637 5.369 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000006197163 552569325 /nfs/dbraw/zinc/56/93/25/552569325.db2.gz DWDQIMUPALQBTA-WTYVLRPYSA-N 0 0 506.042 6.586 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C)cc3)c2C#N)cc1OC ZINC000006245222 552573896 /nfs/dbraw/zinc/57/38/96/552573896.db2.gz HGQUAFODRSOXAH-FQEVSTJZSA-N 0 0 509.631 6.732 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000006245218 552573969 /nfs/dbraw/zinc/57/39/69/552573969.db2.gz OGWLBLFHRGCYJT-IBGZPJMESA-N 0 0 514.050 7.377 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000006245512 552574182 /nfs/dbraw/zinc/57/41/82/552574182.db2.gz NQSPTKLTBPDRJT-ZCTHSVRISA-N 0 0 572.511 6.297 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N ZINC000006245874 552574328 /nfs/dbraw/zinc/57/43/28/552574328.db2.gz OADIUXJDRQXOIK-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c1C#N ZINC000006245745 552574352 /nfs/dbraw/zinc/57/43/52/552574352.db2.gz HMSJBAOHFXTCQG-UHFFFAOYSA-N 0 0 571.727 8.526 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2cccc(Cl)c2C)c1C#N ZINC000006245959 552574565 /nfs/dbraw/zinc/57/45/65/552574565.db2.gz NEBNZQNIYUAXOW-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(C)c2)cc1OC ZINC000006442986 552585339 /nfs/dbraw/zinc/58/53/39/552585339.db2.gz DBDUBILUJKEQGK-KPURRNSFSA-N 0 0 501.623 5.860 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2C)cc1OC ZINC000006444569 552586914 /nfs/dbraw/zinc/58/69/14/552586914.db2.gz SGXOIXXTZKTVFB-RCRUUEGKSA-N 0 0 515.650 6.250 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2C)cc1OC ZINC000006444567 552586936 /nfs/dbraw/zinc/58/69/36/552586936.db2.gz HRPGRRLIXRNFAN-PBBNMVCDSA-N 0 0 501.623 5.860 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000006444412 552586980 /nfs/dbraw/zinc/58/69/80/552586980.db2.gz TZYRZARQKZOTGP-QHCPKHFHSA-N 0 0 525.443 5.714 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000006446320 552588835 /nfs/dbraw/zinc/58/88/35/552588835.db2.gz MBCXHLYLPIQIFU-UHFFFAOYSA-N 0 0 572.774 9.101 50 30 KKEARN Ic1cccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)c(-c3ccc(C#Cc4ccccc4)cc3)[nH]2)c1 ZINC000006446362 552589088 /nfs/dbraw/zinc/58/90/88/552589088.db2.gz FVNBGISRYAVUEW-UHFFFAOYSA-N 0 0 622.509 8.815 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000006472061 552592025 /nfs/dbraw/zinc/59/20/25/552592025.db2.gz WEKPXPWMSHVEGM-IAPNLXIXSA-N 0 0 550.124 7.460 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCS(=O)(=O)c3nc4ccccc4s3)n2)cc1 ZINC000006485701 552594385 /nfs/dbraw/zinc/59/43/85/552594385.db2.gz CDWAJZSALHNZBJ-UHFFFAOYSA-N 0 0 527.696 6.771 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000006793268 552972428 /nfs/dbraw/zinc/97/24/28/552972428.db2.gz KRJCAEGTKWPYPW-HWBMXIPRSA-N 0 0 577.060 5.079 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000008383730 552987429 /nfs/dbraw/zinc/98/74/29/552987429.db2.gz CJCDTGJIXYSXPQ-YKGWIAGDSA-N 0 0 554.643 5.103 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383857 552987684 /nfs/dbraw/zinc/98/76/84/552987684.db2.gz URSLAVQSKAELDS-AFJIDDCJSA-N 0 0 543.616 5.212 50 30 KKEARN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000008384277 552989150 /nfs/dbraw/zinc/98/91/50/552989150.db2.gz FDQQCVHVWPYNSH-VCHYOVAHSA-N 0 0 532.213 5.332 50 30 KKEARN Cc1ccc(/N=C(\Nc2ccc(C)cc2)n2nc(Nc3ccc(C)cc3)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000008385107 552990615 /nfs/dbraw/zinc/99/06/15/552990615.db2.gz UUYBKWPXJRFYNM-UHFFFAOYSA-N 0 0 502.622 6.659 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@@H](CC(=O)Nc4cc(Cl)ccc4C)C(=O)N3CC)ccc21 ZINC000008385181 552990648 /nfs/dbraw/zinc/99/06/48/552990648.db2.gz LGFVGNAQZTZZHA-AGZANAATSA-N 0 0 519.070 6.756 50 30 KKEARN CCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000008385709 552991078 /nfs/dbraw/zinc/99/10/78/552991078.db2.gz VXFRTHCNYFFLOY-LRHLLKFHSA-N 0 0 633.807 7.313 50 30 KKEARN CCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000008385721 552991095 /nfs/dbraw/zinc/99/10/95/552991095.db2.gz VXFRTHCNYFFLOY-VLZNPVHKSA-N 0 0 633.807 7.313 50 30 KKEARN 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8.154 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000008430948 553022238 /nfs/dbraw/zinc/02/22/38/553022238.db2.gz AXBFOEIDWXCFGK-PMERELPUSA-N 0 0 511.641 7.129 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2C)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1C ZINC000008431140 553022414 /nfs/dbraw/zinc/02/24/14/553022414.db2.gz JFLNVJYZFUGLFX-HVHRWFTHSA-N 0 0 626.580 8.341 50 30 KKEARN C#CCOc1ccc(Br)c([C@@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccc(OCC=C)cc2)c1 ZINC000008431973 553024690 /nfs/dbraw/zinc/02/46/90/553024690.db2.gz PMNRHKOLQFXVEP-RUZDIDTESA-N 0 0 658.290 5.542 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008432050 553024907 /nfs/dbraw/zinc/02/49/07/553024907.db2.gz SDWHJFGRBQYUTC-JGCGQSQUSA-N 0 0 547.611 7.241 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000008432224 553025464 /nfs/dbraw/zinc/02/54/64/553025464.db2.gz OCQLSHCTMIIOPS-UHFFFAOYSA-N 0 0 605.738 5.479 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008432778 553027153 /nfs/dbraw/zinc/02/71/53/553027153.db2.gz QFAMGRNVYIOMRZ-UVDDSOTQSA-N 0 0 546.633 8.314 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008433086 553028003 /nfs/dbraw/zinc/02/80/03/553028003.db2.gz MLBISLNNBTVRAL-WXTAPIANSA-N 0 0 560.494 7.177 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000008433426 553028829 /nfs/dbraw/zinc/02/88/29/553028829.db2.gz QPCWALGPIUTLKE-UMSFTDKQSA-N 0 0 582.656 7.540 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008433428 553028899 /nfs/dbraw/zinc/02/88/99/553028899.db2.gz XUOOPKKUYXYYJF-NDEPHWFRSA-N 0 0 532.681 5.158 50 30 KKEARN O=C1SC(c2cc(I)ccc2Cl)=N/C1=C\c1cc2c(cc1Br)OCO2 ZINC000008435239 553030161 /nfs/dbraw/zinc/03/01/61/553030161.db2.gz ZKZYCIBPPPGCCA-DXNYSGJVSA-N 0 0 548.583 5.497 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2nc3ccccc3o2)cc1 ZINC000008437034 553031139 /nfs/dbraw/zinc/03/11/39/553031139.db2.gz KWWQVBAWBQJMBQ-MOHJPFBDSA-N 0 0 532.423 8.997 50 30 KKEARN C#CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1I ZINC000008439246 553035396 /nfs/dbraw/zinc/03/53/96/553035396.db2.gz OWTIGCNVMURLJL-WQRHYEAKSA-N 0 0 615.230 5.453 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1OCc1ccccc1 ZINC000008439255 553035720 /nfs/dbraw/zinc/03/57/20/553035720.db2.gz KOVHAMRDJDRMSK-MYYYXRDXSA-N 0 0 524.013 7.032 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000008440116 553036729 /nfs/dbraw/zinc/03/67/29/553036729.db2.gz SEDHYIFVHXUKLC-SSOJOUAXSA-N 0 0 590.898 5.758 50 30 biogenic,in-vitro KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000008440253 553037013 /nfs/dbraw/zinc/03/70/13/553037013.db2.gz JKLLWSGFDNBPBK-JEVIFJNESA-N 0 0 585.653 5.581 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1C(N)=O ZINC000008440327 553037239 /nfs/dbraw/zinc/03/72/39/553037239.db2.gz AXMLRBMDBCHSSQ-LJAQVGFWSA-N 0 0 566.658 5.011 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000008440337 553037256 /nfs/dbraw/zinc/03/72/56/553037256.db2.gz VKRBJIKHEWHXMH-RWIFEVTBSA-N 0 0 562.666 6.045 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000008440305 553037263 /nfs/dbraw/zinc/03/72/63/553037263.db2.gz FFXQAOYDWOTTMC-GDJIYFAZSA-N 0 0 574.475 5.862 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000008440355 553037415 /nfs/dbraw/zinc/03/74/15/553037415.db2.gz VKRBJIKHEWHXMH-PKKYCPKDSA-N 0 0 562.666 6.045 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000008440431 553037716 /nfs/dbraw/zinc/03/77/16/553037716.db2.gz CZJPLLGGDUWVIZ-CCLHPLFOSA-N 0 0 517.551 6.409 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1ccc(C#N)cc1 ZINC000008440491 553037726 /nfs/dbraw/zinc/03/77/26/553037726.db2.gz ARFCYWWTTNMIKS-JCVFDAPQSA-N 0 0 596.687 6.541 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008440645 553038234 /nfs/dbraw/zinc/03/82/34/553038234.db2.gz PRDNVQXFLDZIEX-HHHXNRCGSA-N 0 0 535.568 5.037 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1CSc1ccc(C)cc1 ZINC000008440689 553038341 /nfs/dbraw/zinc/03/83/41/553038341.db2.gz ADJQZQGQGNFJRU-LJAQVGFWSA-N 0 0 539.701 6.606 50 30 KKEARN C=CCOc1c(I)cc(I)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000008440855 553038704 /nfs/dbraw/zinc/03/87/04/553038704.db2.gz WODMBRJUZIDGNM-AREMUKBSSA-N 0 0 661.321 7.923 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)cc1 ZINC000008441099 553039501 /nfs/dbraw/zinc/03/95/01/553039501.db2.gz LIJMNXCHADHNKC-UHFFFAOYSA-N 0 0 541.676 8.061 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008441342 553040412 /nfs/dbraw/zinc/04/04/12/553040412.db2.gz AHGJDPOOGNXGGN-UHFFFAOYSA-N 0 0 587.723 6.890 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000008441580 553041193 /nfs/dbraw/zinc/04/11/93/553041193.db2.gz IAMBDTDXHPMRQZ-HHHXNRCGSA-N 0 0 533.577 5.263 50 30 KKEARN COc1cc(Cc2ccc(NC=CC(=O)c3ccc4c(c3)OCO4)c(OC)c2)ccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000008441578 553041230 /nfs/dbraw/zinc/04/12/30/553041230.db2.gz MQIBVBIUPZZVTK-XSYHWHKQSA-N 0 0 606.631 6.369 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441664 553041398 /nfs/dbraw/zinc/04/13/98/553041398.db2.gz YTYYDEOZFSETIP-LJAQVGFWSA-N 0 0 558.615 7.926 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000008441721 553041768 /nfs/dbraw/zinc/04/17/68/553041768.db2.gz GOMVGANOABEUSP-JGCGQSQUSA-N 0 0 616.695 8.030 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441709 553041796 /nfs/dbraw/zinc/04/17/96/553041796.db2.gz WTSQRMUIKCLZEM-HHHXNRCGSA-N 0 0 536.609 7.007 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000008441700 553041841 /nfs/dbraw/zinc/04/18/41/553041841.db2.gz KAJBSQFTYJWIMR-PMERELPUSA-N 0 0 572.642 8.235 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008441765 553042205 /nfs/dbraw/zinc/04/22/05/553042205.db2.gz OVMYEZKEGRYSKD-PMERELPUSA-N 0 0 515.565 6.790 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000008441761 553042216 /nfs/dbraw/zinc/04/22/16/553042216.db2.gz SDYOEFBQBPQBQH-GDLZYMKVSA-N 0 0 525.601 6.789 50 30 KKEARN CCc1sc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl ZINC000008441792 553042310 /nfs/dbraw/zinc/04/23/10/553042310.db2.gz GIXMLWUWXJFJOW-RUZDIDTESA-N 0 0 500.060 6.320 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441794 553042324 /nfs/dbraw/zinc/04/23/24/553042324.db2.gz FRORCDZKYOITND-PMERELPUSA-N 0 0 617.752 8.636 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)s1 ZINC000008441827 553042709 /nfs/dbraw/zinc/04/27/09/553042709.db2.gz STQBYUIZASCOSA-DEOSSOPVSA-N 0 0 502.101 6.779 50 30 KKEARN Cc1c(/N=C\c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000008442575 553043918 /nfs/dbraw/zinc/04/39/18/553043918.db2.gz HBOWWFLQADPJPJ-WGARJPEWSA-N 0 0 546.590 5.812 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@H]1c1cccs1 ZINC000008443272 553045843 /nfs/dbraw/zinc/04/58/43/553045843.db2.gz BLWNPMFUVICTHA-GORIGYSASA-N 0 0 712.647 6.219 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000008443833 553048014 /nfs/dbraw/zinc/04/80/14/553048014.db2.gz ADYVTBUUPUCTGB-UMSFTDKQSA-N 0 0 558.678 7.731 50 30 KKEARN CCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444114 553049281 /nfs/dbraw/zinc/04/92/81/553049281.db2.gz HWUCENKIUWAWJC-GZGVDWRWSA-N 0 0 544.651 7.308 50 30 KKEARN CCCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444109 553049305 /nfs/dbraw/zinc/04/93/05/553049305.db2.gz MUBHCCUBTAOKDO-JXSYCYSGSA-N 0 0 558.678 7.698 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(OCCCC)cc1 ZINC000008444119 553049347 /nfs/dbraw/zinc/04/93/47/553049347.db2.gz OFOHPAPSTLYCEX-URNDWHGUSA-N 0 0 536.716 8.346 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008444534 553050629 /nfs/dbraw/zinc/05/06/29/553050629.db2.gz XUHHBDMKAPSNPI-ZXIHIIQKSA-N 0 0 526.009 6.569 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3c(F)c(F)c(F)c(F)c3F)n2)cc1OC ZINC000008444966 553052754 /nfs/dbraw/zinc/05/27/54/553052754.db2.gz MPXJYTFXEACIJG-KLPHOBTLSA-N 0 0 500.427 5.969 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000008445027 553052852 /nfs/dbraw/zinc/05/28/52/553052852.db2.gz NLRQTCDMNVYRMV-BNHRFMORSA-N 0 0 523.633 7.384 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008445094 553053148 /nfs/dbraw/zinc/05/31/48/553053148.db2.gz IZHPNAAMOQKYMH-WMELESEDSA-N 0 0 565.758 8.022 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008445093 553053169 /nfs/dbraw/zinc/05/31/69/553053169.db2.gz IZHPNAAMOQKYMH-CXNHSUMOSA-N 0 0 565.758 8.022 50 30 KKEARN Fc1nc(F)c(F)c(Oc2cc(Br)c(Br)cc2Oc2c(F)c(F)nc(F)c2F)c1F ZINC000008445589 553054745 /nfs/dbraw/zinc/05/47/45/553054745.db2.gz GUFAVKXOJCQTQO-UHFFFAOYSA-N 0 0 565.996 6.699 50 30 KKEARN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)c1 ZINC000008446003 553055337 /nfs/dbraw/zinc/05/53/37/553055337.db2.gz VVONLRABHLZOOM-UHFFFAOYSA-N 0 0 512.034 7.183 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000008446014 553055340 /nfs/dbraw/zinc/05/53/40/553055340.db2.gz VLICLEACNWBLOS-UHFFFAOYSA-N 0 0 528.077 7.605 50 30 KKEARN CCCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000008449015 553056980 /nfs/dbraw/zinc/05/69/80/553056980.db2.gz IPDMDQRDUQQSDB-HHHXNRCGSA-N 0 0 546.664 5.802 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)CCCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000008449001 553056985 /nfs/dbraw/zinc/05/69/85/553056985.db2.gz UGOTYCFUOGCZFG-UHFFFAOYSA-N 0 0 609.462 10.091 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000008450324 553058056 /nfs/dbraw/zinc/05/80/56/553058056.db2.gz WTGIIJJQAMZKGT-KMRXNPHXSA-N 0 0 661.627 7.365 50 30 KKEARN CCOc1ccc(/N=C2/S/C(=C\c3cn(Cc4ccccc4)c4ccc(Br)cc34)C(=O)N2C2CCCCC2)cc1 ZINC000008450506 553058539 /nfs/dbraw/zinc/05/85/39/553058539.db2.gz NPURKHRYDQWAKJ-LKXSPGLLSA-N 0 0 614.609 8.788 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C2=N)S1 ZINC000008450605 553058798 /nfs/dbraw/zinc/05/87/98/553058798.db2.gz QVOKIFFKJYHCRT-SVKSMTGDSA-N 0 0 513.667 6.700 50 30 KKEARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008450872 553059468 /nfs/dbraw/zinc/05/94/68/553059468.db2.gz OJUGQFDYCMQVNT-ZDZYTSRMSA-N 0 0 650.704 5.303 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008450878 553059491 /nfs/dbraw/zinc/05/94/91/553059491.db2.gz ZREZDRVSQVMIAQ-DLJDGCESSA-N 0 0 694.757 5.702 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008450882 553059747 /nfs/dbraw/zinc/05/97/47/553059747.db2.gz REVFOXQLTLUDTN-SZYVSPPHSA-N 0 0 676.767 5.621 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(C(F)(F)F)c1C#N)CCCC2 ZINC000008451000 553060096 /nfs/dbraw/zinc/06/00/96/553060096.db2.gz AONAOWKUWHWFNL-UHFFFAOYSA-N 0 0 551.637 6.548 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)c(C#N)c1C ZINC000008451012 553060128 /nfs/dbraw/zinc/06/01/28/553060128.db2.gz CFWUWQVOJWNYEK-UHFFFAOYSA-N 0 0 544.683 6.498 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(-c3ccc(OC)cc3)c1C#N)CCC2 ZINC000008451135 553060347 /nfs/dbraw/zinc/06/03/47/553060347.db2.gz XJRVCKJZWUDXAF-UHFFFAOYSA-N 0 0 575.737 6.815 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4ccc(OC)cc4)c2C#N)CCC3)c(C#N)c1C ZINC000008451145 553060359 /nfs/dbraw/zinc/06/03/59/553060359.db2.gz KWWJRRGDVCYPRZ-UHFFFAOYSA-N 0 0 532.647 5.267 50 30 KKEARN COc1cc2c(cc1OC)CN(C(=O)CSc1nc(-c3cccs3)cc(-c3ccsc3)c1C#N)CC2 ZINC000008451152 553060387 /nfs/dbraw/zinc/06/03/87/553060387.db2.gz PTTZGUISJVXSFL-UHFFFAOYSA-N 0 0 533.700 6.104 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1CCOc1ccc(C)cc1C ZINC000008451375 553060938 /nfs/dbraw/zinc/06/09/38/553060938.db2.gz GFWIGGQQQUODNA-RUMWWMSVSA-N 0 0 538.700 5.477 50 30 KKEARN COc1cccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c1 ZINC000008451380 553060975 /nfs/dbraw/zinc/06/09/75/553060975.db2.gz OUJOHOWZZDIQMM-WEMUVCOSSA-N 0 0 554.699 5.341 50 30 KKEARN COc1cccc(/C=C2/S/C(=N/c3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000008451723 553062022 /nfs/dbraw/zinc/06/20/22/553062022.db2.gz MIBNLKTXCVUKTN-GHMCYCOMSA-N 0 0 573.671 5.820 50 30 KKEARN COc1cc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc(I)c1OCc1ccccc1C#N ZINC000008452992 553065457 /nfs/dbraw/zinc/06/54/57/553065457.db2.gz JQZABSHOOVKEAA-SLVRWIAASA-N 0 0 585.427 5.026 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1cc(C(C)C)c(OC)cc1C ZINC000008453538 553066213 /nfs/dbraw/zinc/06/62/13/553066213.db2.gz UUKYSSAAXFBLGU-YFJBBWGOSA-N 0 0 720.895 7.559 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=N)S1 ZINC000008453486 553066229 /nfs/dbraw/zinc/06/62/29/553066229.db2.gz IYXLCBKLCXQJIT-JZUBHEMNSA-N 0 0 518.086 7.323 50 30 KKEARN Cc1c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000008453557 553066573 /nfs/dbraw/zinc/06/65/73/553066573.db2.gz AGYNVEABFUBIAD-UPZMMJCBSA-N 0 0 509.650 7.684 50 30 KKEARN CC(C)C[C@@H](C#N)COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCC[C@@H](C#N)C(C)C)cc3)cc2)cc1 ZINC000008453730 553066696 /nfs/dbraw/zinc/06/66/96/553066696.db2.gz PMYCITYZKQZJTA-UKJJDJLKSA-N 0 0 536.672 7.706 50 30 KKEARN CCOC(=O)c1c2cc(Oc3nccc(Nc4ccccc4)c3C#N)ccc2n(-c2ccc(C)cc2)c1CN1CCOCC1 ZINC000008453907 553067191 /nfs/dbraw/zinc/06/71/91/553067191.db2.gz SARUPPPZFSROOW-UHFFFAOYSA-N 0 0 587.680 6.750 50 30 KKEARN CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)sc2c1CC[C@H](C)C2 ZINC000008454776 553069804 /nfs/dbraw/zinc/06/98/04/553069804.db2.gz NVPNELLFLKVHNL-ZETCQYMHSA-N 0 0 567.392 6.430 50 30 KKEARN NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)scc1-c1ccc(Cl)cc1 ZINC000008454796 553069814 /nfs/dbraw/zinc/06/98/14/553069814.db2.gz SGJVDETWMTZAPF-UHFFFAOYSA-N 0 0 680.792 8.468 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455757 553073374 /nfs/dbraw/zinc/07/33/74/553073374.db2.gz SSCXLQJNPOIRID-SIBVEZHUSA-N 0 0 510.943 7.111 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455741 553073409 /nfs/dbraw/zinc/07/34/09/553073409.db2.gz ONDJKFDKJMMEOH-WXTAPIANSA-N 0 0 510.943 7.111 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008455839 553073882 /nfs/dbraw/zinc/07/38/82/553073882.db2.gz IZLLPMLNHRTFFU-PNPHSEOMSA-N 0 0 612.541 7.704 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N3)CCCC2 ZINC000008455844 553073973 /nfs/dbraw/zinc/07/39/73/553073973.db2.gz QVDFWTFBSCISHF-QFBILLFUSA-N 0 0 550.404 6.370 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3ccc(Br)cc3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008455898 553074285 /nfs/dbraw/zinc/07/42/85/553074285.db2.gz ZDLQNFCZVZXXHR-QMIHWGKISA-N 0 0 640.957 8.296 50 30 KKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)C2=C1CC(C)(C)CC2=O ZINC000008461820 553075464 /nfs/dbraw/zinc/07/54/64/553075464.db2.gz JTUJNLWPLAHRNE-UHFFFAOYSA-N 0 0 633.627 7.871 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OCC ZINC000008494528 553076617 /nfs/dbraw/zinc/07/66/17/553076617.db2.gz NRDNURYAZGMKQQ-PQVGAIMESA-N 0 0 582.682 5.970 50 30 KKEARN CC(C)CNS(=O)(=O)c1cccc2c(NC(=O)[C@H](CCCCNOC(=O)Cc3ccccc3)NC(=O)OC(C)(C)C)cccc21 ZINC000008497442 553077333 /nfs/dbraw/zinc/07/73/33/553077333.db2.gz KDLPSTSHBGRMGQ-NDEPHWFRSA-N 0 0 640.803 5.067 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000008589844 553081552 /nfs/dbraw/zinc/08/15/52/553081552.db2.gz HBDZXHVNBHWKJB-UHFFFAOYSA-N 0 0 557.075 6.964 50 30 KKEARN O=C(/C=C/c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccc(Br)cc1 ZINC000008611821 553101732 /nfs/dbraw/zinc/10/17/32/553101732.db2.gz XQTFGHNPRBTIRM-RBZOQEBVSA-N 0 0 501.424 5.724 50 30 aggregator KKEARN CCCc1c(C(=O)ONC(=N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 ZINC000008618095 553102790 /nfs/dbraw/zinc/10/27/90/553102790.db2.gz LATYRCZTECDPAC-UHFFFAOYSA-N 0 0 518.845 5.993 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C/c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000008687238 553116657 /nfs/dbraw/zinc/11/66/57/553116657.db2.gz BFVVIKQZORUZPC-FPQJKWOGSA-N 0 0 513.557 6.123 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(/C)c5ccc(OC)c(OC)c5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000008694344 553119302 /nfs/dbraw/zinc/11/93/02/553119302.db2.gz FNGUDGKZSBZOKH-WBIBEUCMSA-N 0 0 579.613 6.180 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000008694734 553120411 /nfs/dbraw/zinc/12/04/11/553120411.db2.gz PPGMBRPJNLHIKW-NDZAJKAJSA-N 0 0 514.033 6.284 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008694798 553120629 /nfs/dbraw/zinc/12/06/29/553120629.db2.gz BXEBATSEMIPGPB-JGCGQSQUSA-N 0 0 582.056 7.894 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000008694759 553120633 /nfs/dbraw/zinc/12/06/33/553120633.db2.gz SWVWXGOUEQFUGO-KCSSXMTESA-N 0 0 600.908 7.800 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008694793 553120663 /nfs/dbraw/zinc/12/06/63/553120663.db2.gz PPBDJMXXPNSKTN-JGCGQSQUSA-N 0 0 547.611 7.241 50 30 KKEARN COc1ccc2[nH]cc(CCNC(c3ccc(F)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695168 553121158 /nfs/dbraw/zinc/12/11/58/553121158.db2.gz LZEBLLVHSIGXMY-WWIWEHRJSA-N 0 0 574.612 6.164 50 30 KKEARN COc1ccc2[nH]c(C)c(CCNC(c3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695165 553121173 /nfs/dbraw/zinc/12/11/73/553121173.db2.gz PFHDZTIQGZEISH-FTTXPQLCSA-N 0 0 605.094 6.986 50 30 KKEARN COc1ccc(C(NCCc2c[nH]c3ccc(OC)cc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695173 553121177 /nfs/dbraw/zinc/12/11/77/553121177.db2.gz VDENVKHPGXXMOR-HIELXXDYSA-N 0 0 586.648 6.033 50 30 KKEARN CCOc1ccc(CN=Nc2nc(N=NCc3ccc(OCC)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008715924 553128789 /nfs/dbraw/zinc/12/87/89/553128789.db2.gz FUPLMNXUFBDODK-OBZMNYCPSA-N 0 0 572.673 7.031 50 30 KKEARN CCOc1cc(/C=C2\C(=O)N=C3SC(C4CCCCC4)=NN3C2=N)ccc1OCc1ccccc1C#N ZINC000008721915 553129671 /nfs/dbraw/zinc/12/96/71/553129671.db2.gz UWKJURHMZWRKMN-UHSBVEPQSA-N 0 0 513.623 5.735 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008740601 553132135 /nfs/dbraw/zinc/13/21/35/553132135.db2.gz RIMNAEXJUSJPHX-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN COc1cc(C=CC(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc(OC)c1OC ZINC000008758720 553137212 /nfs/dbraw/zinc/13/72/12/553137212.db2.gz BEDSFGJSZLADRJ-RMKNXTFCSA-N 0 0 563.058 5.094 50 30 KKEARN CCCOc1ccc(/C=N/Nc2cnn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2Cl)cc1 ZINC000008763846 553137745 /nfs/dbraw/zinc/13/77/45/553137745.db2.gz MRGRTDQQEPVACG-NSKAYECMSA-N 0 0 500.213 6.140 50 30 KKEARN O=C(/C=C\c1ccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1)c1ccccc1 ZINC000008781919 553144669 /nfs/dbraw/zinc/14/46/69/553144669.db2.gz SAQSMVVSIJQSNS-FLIBITNWSA-N 0 0 515.963 5.851 50 30 KKEARN CSc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000008809794 553148259 /nfs/dbraw/zinc/14/82/59/553148259.db2.gz HYUURDHZLXYBMM-WYXXNOKNSA-N 0 0 505.687 6.595 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008817146 553152547 /nfs/dbraw/zinc/15/25/47/553152547.db2.gz RMICVHCEBFYRHH-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000008834446 553161065 /nfs/dbraw/zinc/16/10/65/553161065.db2.gz XWKRMHHCKCOCLK-QFIPXVFZSA-N 0 0 503.647 5.020 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008836689 553163144 /nfs/dbraw/zinc/16/31/44/553163144.db2.gz IRPBKNOLTRJWQR-HSZRJFAPSA-N 0 0 500.576 5.713 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000008837202 553163777 /nfs/dbraw/zinc/16/37/77/553163777.db2.gz PLULSVUPLGHWDT-YIXXDRMTSA-N 0 0 511.405 6.818 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008837136 553163795 /nfs/dbraw/zinc/16/37/95/553163795.db2.gz CNEMXBFCHMHMFC-HSZRJFAPSA-N 0 0 502.592 6.368 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000008837253 553163834 /nfs/dbraw/zinc/16/38/34/553163834.db2.gz OZOVWOBRVBXTKP-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008837992 553164721 /nfs/dbraw/zinc/16/47/21/553164721.db2.gz HUJFKUPOBCZULD-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845497 553165706 /nfs/dbraw/zinc/16/57/06/553165706.db2.gz UNEZYMDYIBPFIT-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000008846370 553166146 /nfs/dbraw/zinc/16/61/46/553166146.db2.gz MYJZJKXHUWCNIY-XHFRACSQSA-N 0 0 507.868 5.463 50 30 KKEARN CCN(CC)c1nc(N=NCc2c[nH]nc2-c2ccc(F)cc2)nc(Nc2cc(Cl)ccc2OC)n1 ZINC000008846478 553166228 /nfs/dbraw/zinc/16/62/28/553166228.db2.gz AKHWWMWYJIGXNV-CCVNUDIWSA-N 0 0 509.977 5.099 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000008846425 553166306 /nfs/dbraw/zinc/16/63/06/553166306.db2.gz XIIRRDXZDGADIA-AVRWGWEMSA-N 0 0 513.681 5.510 50 30 KKEARN Cc1ccc(CO/N=C/[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H](/C=N\OCc3ccc(C)cc3)C2=O)cc1 ZINC000008857391 553168047 /nfs/dbraw/zinc/16/80/47/553168047.db2.gz ZCEWUNRDMDCCAA-MJWUEBQISA-N 0 0 514.582 5.238 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccccc3C)c(OCC)c2)SC1=S ZINC000008872428 553173328 /nfs/dbraw/zinc/17/33/28/553173328.db2.gz KGYDAZNGOYCTLK-QNGOZBTKSA-N 0 0 581.497 5.843 50 30 KKEARN O=[N+]([O-])c1cc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCC4)n3)o2)ccc1Cl ZINC000008872394 553173361 /nfs/dbraw/zinc/17/33/61/553173361.db2.gz UKDYGVWVXJLELG-CVKSISIWSA-N 0 0 504.938 5.483 50 30 KKEARN CCOc1ccc(CN=Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)c(OCC)c1 ZINC000008872715 553173758 /nfs/dbraw/zinc/17/37/58/553173758.db2.gz QHILNBDCTCKMMR-OGLMXYFKSA-N 0 0 544.572 5.519 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872795 553174054 /nfs/dbraw/zinc/17/40/54/553174054.db2.gz NAKOXQOHOBIFNB-MWLSYYOVSA-N 0 0 540.515 6.121 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872875 553174279 /nfs/dbraw/zinc/17/42/79/553174279.db2.gz WVUULWGYNHKCFB-FDVSRXAVSA-N 0 0 561.389 7.280 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cccc(I)c3)nc(Nc3ccccc3)n2)cc1 ZINC000008872850 553174314 /nfs/dbraw/zinc/17/43/14/553174314.db2.gz KKEITZJCHGINIR-MFKUBSTISA-N 0 0 537.365 5.418 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(I)ccc3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872835 553174348 /nfs/dbraw/zinc/17/43/48/553174348.db2.gz AKJWDEMTRQRMSP-LGJNPRDNSA-N 0 0 596.389 5.640 50 30 KKEARN COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(NC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000008873003 553174646 /nfs/dbraw/zinc/17/46/46/553174646.db2.gz SYJBKCMHKKZISI-XODNFHPESA-N 0 0 514.800 7.045 50 30 KKEARN Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000008872985 553174671 /nfs/dbraw/zinc/17/46/71/553174671.db2.gz RDPZBXOELAOBTF-PPOKSSTKSA-N 0 0 588.672 6.997 50 30 KKEARN CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2F)cc1 ZINC000008892457 553176741 /nfs/dbraw/zinc/17/67/41/553176741.db2.gz OFPQCFFONIGVDK-SSEXGKCCSA-N 0 0 512.625 7.461 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894394 553177561 /nfs/dbraw/zinc/17/75/61/553177561.db2.gz NBIKPDOTFBJAAK-DEOSSOPVSA-N 0 0 502.567 6.179 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894640 553177742 /nfs/dbraw/zinc/17/77/42/553177742.db2.gz HSOIHDZHDGSRHU-QHCPKHFHSA-N 0 0 504.633 6.492 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000008894963 553178091 /nfs/dbraw/zinc/17/80/91/553178091.db2.gz BXFUDEQXPIFYEQ-XMMPIXPASA-N 0 0 519.022 6.666 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008896603 553178721 /nfs/dbraw/zinc/17/87/21/553178721.db2.gz CSVUHMVZSFLHKW-SANMLTNESA-N 0 0 526.658 6.948 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008896752 553178851 /nfs/dbraw/zinc/17/88/51/553178851.db2.gz XEBMCTFQOJZCQP-XMMPIXPASA-N 0 0 519.022 6.694 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008900228 553181296 /nfs/dbraw/zinc/18/12/96/553181296.db2.gz JEKDLRUPIOMMKS-HSZRJFAPSA-N 0 0 502.548 5.105 50 30 KKEARN CC(C)Oc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000008916778 553186745 /nfs/dbraw/zinc/18/67/45/553186745.db2.gz FEBMZPZUJDRZHV-MNDCEMCOSA-N 0 0 517.673 6.661 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)C(=O)c1ccc(OC)cc1 ZINC000008917901 553187307 /nfs/dbraw/zinc/18/73/07/553187307.db2.gz MOVBUDQPVJFVRW-FJXGDJEOSA-N 0 0 507.671 6.445 50 30 biogenic KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008973662 553195420 /nfs/dbraw/zinc/19/54/20/553195420.db2.gz QGKBCFKTGJLZLV-DEOSSOPVSA-N 0 0 503.023 7.164 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973930 553195424 /nfs/dbraw/zinc/19/54/24/553195424.db2.gz KZHWNGBDEQQNSW-SANMLTNESA-N 0 0 510.659 7.302 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008974087 553195744 /nfs/dbraw/zinc/19/57/44/553195744.db2.gz GYOGLCMTOVCNGK-NRFANRHFSA-N 0 0 504.589 5.544 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000008984856 553196409 /nfs/dbraw/zinc/19/64/09/553196409.db2.gz KVVRYFBNEFHCHB-PIIWDFAUSA-N 0 0 522.041 6.292 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996548 553197431 /nfs/dbraw/zinc/19/74/31/553197431.db2.gz CCLXWDFYKXNOKF-OAQYLSRUSA-N 0 0 506.580 5.153 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008996998 553197776 /nfs/dbraw/zinc/19/77/76/553197776.db2.gz XQTJXEPWLYSALG-VWLOTQADSA-N 0 0 514.603 6.022 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000009019944 553201092 /nfs/dbraw/zinc/20/10/92/553201092.db2.gz GUBSBQRJOMKBQO-VWLOTQADSA-N 0 0 501.539 5.112 50 30 KKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009019791 553201183 /nfs/dbraw/zinc/20/11/83/553201183.db2.gz JEEOLPCIPRAOGJ-JOCHJYFZSA-N 0 0 511.803 5.951 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009019619 553201231 /nfs/dbraw/zinc/20/12/31/553201231.db2.gz GEGPSIUWYSXOFF-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000009020087 553201316 /nfs/dbraw/zinc/20/13/16/553201316.db2.gz ZNLDHJXOJKZDER-MUUNZHRXSA-N 0 0 512.650 6.501 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2nc3ccccc3o2)cc1 ZINC000009030816 553201619 /nfs/dbraw/zinc/20/16/19/553201619.db2.gz UBPWTAOBCSHLAY-PLRJNAJWSA-N 0 0 508.530 7.598 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009033813 553201758 /nfs/dbraw/zinc/20/17/58/553201758.db2.gz QFTXLRGTPGDWAW-ROTAYESASA-N 0 0 512.606 6.023 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000009041186 553202250 /nfs/dbraw/zinc/20/22/50/553202250.db2.gz BBCQSHKNVAHLDY-HOFKKMOUSA-N 0 0 521.411 6.273 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1 ZINC000009043440 553202915 /nfs/dbraw/zinc/20/29/15/553202915.db2.gz LXGHNPOMJXIZJG-KCWXNJEJSA-N 0 0 505.530 6.402 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009043876 553203145 /nfs/dbraw/zinc/20/31/45/553203145.db2.gz KUBMEDBKZZHLLB-JOCHJYFZSA-N 0 0 506.605 5.775 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009046490 553204042 /nfs/dbraw/zinc/20/40/42/553204042.db2.gz VWRWGNYJIZUHBG-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000009057677 553204636 /nfs/dbraw/zinc/20/46/36/553204636.db2.gz BKECNLSMRLESTE-SANMLTNESA-N 0 0 524.488 8.386 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009068474 553206619 /nfs/dbraw/zinc/20/66/19/553206619.db2.gz DQVXNIACAZIPAP-JOCHJYFZSA-N 0 0 511.043 6.502 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)C2)c1 ZINC000009068328 553206634 /nfs/dbraw/zinc/20/66/34/553206634.db2.gz ONQFSNCEYQZHNT-BNHRFMORSA-N 0 0 518.588 7.049 50 30 KKEARN COC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000009075466 553207318 /nfs/dbraw/zinc/20/73/18/553207318.db2.gz QQEBSAJJSSNGIK-SZXQPVLSSA-N 0 0 508.401 5.388 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000009086203 553208303 /nfs/dbraw/zinc/20/83/03/553208303.db2.gz ZHKKDMWXGICBHY-VWLOTQADSA-N 0 0 501.539 5.256 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000009096054 553209514 /nfs/dbraw/zinc/20/95/14/553209514.db2.gz WYUVXUSAPYGHIL-GFCCVEGCSA-N 0 0 504.435 5.524 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)c4ccc([N+](=O)[O-])cc4)nnc3c2CO1 ZINC000009108878 553209684 /nfs/dbraw/zinc/20/96/84/553209684.db2.gz PGMMWILYXRHFSC-UHFFFAOYSA-N 0 0 514.567 5.079 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000009109148 553209954 /nfs/dbraw/zinc/20/99/54/553209954.db2.gz PAVOYJYOSFLOFV-GZGVDWRWSA-N 0 0 538.707 8.604 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2I)cc1 ZINC000009113745 553210759 /nfs/dbraw/zinc/21/07/59/553210759.db2.gz IHVIXZSGKOQBPH-WXTAPIANSA-N 0 0 506.387 6.579 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009123665 553212259 /nfs/dbraw/zinc/21/22/59/553212259.db2.gz DZWFIZNDZVXJIR-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124464 553212909 /nfs/dbraw/zinc/21/29/09/553212909.db2.gz CQGJLYZALSCQQT-PUAOIOHZSA-N 0 0 512.587 5.725 50 30 KKEARN CCCCCOc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OCCCCC)cc2)=N\O)cc1 ZINC000009144811 553213776 /nfs/dbraw/zinc/21/37/76/553213776.db2.gz YDTTVJRNEGSUNL-UOALMSBLSA-N 0 0 510.719 8.612 50 30 KKEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000009144850 553214015 /nfs/dbraw/zinc/21/40/15/553214015.db2.gz ZAHAAEUVMNDVSU-RZWSOBKFSA-N 0 0 508.585 6.116 50 30 KKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)c(OC)c1OC ZINC000009158451 553215144 /nfs/dbraw/zinc/21/51/44/553215144.db2.gz FPZMWLAPSIFPNO-MTJSOVHGSA-N 0 0 511.324 5.310 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000009169520 553215926 /nfs/dbraw/zinc/21/59/26/553215926.db2.gz TYKNMOGNKINVKL-ITYLOYPMSA-N 0 0 509.656 6.506 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009177306 553216369 /nfs/dbraw/zinc/21/63/69/553216369.db2.gz YNIPIOWWCKEKPT-HSZRJFAPSA-N 0 0 515.547 5.695 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009177310 553216428 /nfs/dbraw/zinc/21/64/28/553216428.db2.gz YNIPIOWWCKEKPT-QHCPKHFHSA-N 0 0 515.547 5.695 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009184929 553216975 /nfs/dbraw/zinc/21/69/75/553216975.db2.gz XFHPMUWCWMYEJP-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009186827 553217794 /nfs/dbraw/zinc/21/77/94/553217794.db2.gz NAVZWLUXJDWMFL-DEOSSOPVSA-N 0 0 519.022 6.748 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186761 553217827 /nfs/dbraw/zinc/21/78/27/553217827.db2.gz NJSZSVZTLMEWNY-RUZDIDTESA-N 0 0 512.587 5.961 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009187427 553218073 /nfs/dbraw/zinc/21/80/73/553218073.db2.gz NVNHBNVFVLLXMA-MHZLTWQESA-N 0 0 514.578 5.200 50 30 KKEARN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000009232794 553223993 /nfs/dbraw/zinc/22/39/93/553223993.db2.gz JDBAYONSZDHECK-ZMOGYAJESA-N 0 0 501.520 5.291 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009234361 553224918 /nfs/dbraw/zinc/22/49/18/553224918.db2.gz LXSIVJTXJCVAKC-DEOSSOPVSA-N 0 0 512.587 5.791 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009236964 553225880 /nfs/dbraw/zinc/22/58/80/553225880.db2.gz DBVWEXUIMFBCIN-QHCPKHFHSA-N 0 0 516.575 5.413 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009241521 553226369 /nfs/dbraw/zinc/22/63/69/553226369.db2.gz DZQXUKULKMGASS-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009243705 553226812 /nfs/dbraw/zinc/22/68/12/553226812.db2.gz BYTKEMAZOVDQJD-BXKMTCNYSA-N 0 0 504.608 5.818 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)[C@@H]3c2ccccc2)cc1 ZINC000009243369 553226926 /nfs/dbraw/zinc/22/69/26/553226926.db2.gz MJHZOVCVBPPUHF-ULPIOCOXSA-N 0 0 505.614 7.033 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009246703 553227307 /nfs/dbraw/zinc/22/73/07/553227307.db2.gz WGVUHSVAFYEZBA-XJFCNFDWSA-N 0 0 515.569 6.809 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Br)cc3Br)cc2)nc1 ZINC000009259257 553227993 /nfs/dbraw/zinc/22/79/93/553227993.db2.gz FIKGZIGKSIUNGZ-AUEPDCJTSA-N 0 0 506.154 5.540 50 30 KKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000009264237 553228774 /nfs/dbraw/zinc/22/87/74/553228774.db2.gz BWNCZNJVTNJNID-IIMAJNMQSA-N 0 0 515.440 8.161 50 30 KKEARN Cc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009264251 553228788 /nfs/dbraw/zinc/22/87/88/553228788.db2.gz MYPYBFFKDKTOND-URAOTHONSA-N 0 0 524.020 7.848 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2)cc1 ZINC000009264300 553228793 /nfs/dbraw/zinc/22/87/93/553228793.db2.gz OCEUFAHDPQBDNG-DFXYEROKSA-N 0 0 505.574 6.894 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009264295 553228821 /nfs/dbraw/zinc/22/88/21/553228821.db2.gz QECPNXYRADXHTH-OLILMLBXSA-N 0 0 509.993 7.539 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NCc1ccco1 ZINC000009264345 553229066 /nfs/dbraw/zinc/22/90/66/553229066.db2.gz YRAUWFPXWWNXML-XBBWARJSSA-N 0 0 509.562 6.165 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264336 553229124 /nfs/dbraw/zinc/22/91/24/553229124.db2.gz INDBITLVUBZOOY-PRAQEBQASA-N 0 0 505.574 6.894 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009266112 553229871 /nfs/dbraw/zinc/22/98/71/553229871.db2.gz PUZXRQRUDJOUFK-GFTMIHTRSA-N 0 0 503.522 5.048 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009270757 553230411 /nfs/dbraw/zinc/23/04/11/553230411.db2.gz YXDUAQVINJQSLQ-NDEPHWFRSA-N 0 0 513.634 6.096 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009271051 553230476 /nfs/dbraw/zinc/23/04/76/553230476.db2.gz UGFLKIPJLLOYOF-XMMPIXPASA-N 0 0 500.595 6.824 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009271606 553231007 /nfs/dbraw/zinc/23/10/07/553231007.db2.gz WXKSVKWPYOLADP-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000009271593 553231028 /nfs/dbraw/zinc/23/10/28/553231028.db2.gz HBEGLPPVCPUDJL-QHCPKHFHSA-N 0 0 514.559 5.265 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271658 553231290 /nfs/dbraw/zinc/23/12/90/553231290.db2.gz NKVABEBMAXXKPF-JOCHJYFZSA-N 0 0 520.563 5.315 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009272237 553231534 /nfs/dbraw/zinc/23/15/34/553231534.db2.gz LCFGVDMOACGLMI-SSEXGKCCSA-N 0 0 518.613 6.310 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000009272897 553232058 /nfs/dbraw/zinc/23/20/58/553232058.db2.gz HLXOIFJREAYXOJ-HHHXNRCGSA-N 0 0 500.595 5.746 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009273053 553232085 /nfs/dbraw/zinc/23/20/85/553232085.db2.gz AHEMWIXKWGLZNO-WXTAPIANSA-N 0 0 510.487 6.297 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1)c1cccs1 ZINC000009281349 553233190 /nfs/dbraw/zinc/23/31/90/553233190.db2.gz BRVLVQLLYVYOMZ-RUTNCJFZSA-N 0 0 503.587 6.566 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000009290667 553234447 /nfs/dbraw/zinc/23/44/47/553234447.db2.gz OUTUAEUVFBLWMM-NGOKVRLYSA-N 0 0 537.653 5.448 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009291422 553234584 /nfs/dbraw/zinc/23/45/84/553234584.db2.gz KBFQKSHIIIIFQA-PIIWDFAUSA-N 0 0 512.606 5.753 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009292775 553235107 /nfs/dbraw/zinc/23/51/07/553235107.db2.gz PJAAOLIYZNVFIQ-DEOSSOPVSA-N 0 0 508.018 5.511 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009292441 553235121 /nfs/dbraw/zinc/23/51/21/553235121.db2.gz YMLUIJLESPLTOD-GDLZYMKVSA-N 0 0 522.601 6.012 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292830 553235289 /nfs/dbraw/zinc/23/52/89/553235289.db2.gz PXDNLJQCWHHTAZ-WHLCRQNOSA-N 0 0 526.589 5.147 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000009295703 553235701 /nfs/dbraw/zinc/23/57/01/553235701.db2.gz PVCJNVNUTPODQW-UNOMPAQXSA-N 0 0 508.821 6.303 50 30 KKEARN C=CCn1cc(OC(=O)c2ccc(Cl)cc2)c2c3nc4ccccc4n3c(-c3ccc(Cl)cc3)nc21 ZINC000009309314 553238247 /nfs/dbraw/zinc/23/82/47/553238247.db2.gz AUUHYMRIQGFHHM-UHFFFAOYSA-N 0 0 513.384 7.216 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312167 553240129 /nfs/dbraw/zinc/24/01/29/553240129.db2.gz DKGHHUOLVGCPKQ-KCWXNJEJSA-N 0 0 511.618 6.358 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009312552 553240428 /nfs/dbraw/zinc/24/04/28/553240428.db2.gz KZRRNYMPRMYZMZ-KCWXNJEJSA-N 0 0 511.618 6.010 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccc1OCc1ccccc1 ZINC000009329636 553242471 /nfs/dbraw/zinc/24/24/71/553242471.db2.gz KLZYCTNVAPWYRW-MGBGTMOVSA-N 0 0 528.652 7.722 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009334406 553243120 /nfs/dbraw/zinc/24/31/20/553243120.db2.gz OPRBUZSDBFDUJD-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009339447 553243465 /nfs/dbraw/zinc/24/34/65/553243465.db2.gz VRGDQEYRBDUDDF-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OCCCC)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009334991 553243484 /nfs/dbraw/zinc/24/34/84/553243484.db2.gz UHMLUOLMMPLJDD-UXCMTWRGSA-N 0 0 536.716 8.346 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009339997 553243888 /nfs/dbraw/zinc/24/38/88/553243888.db2.gz NYALOXHUKYPVFO-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009350027 553245029 /nfs/dbraw/zinc/24/50/29/553245029.db2.gz GBNOKNXWHVKBOG-OYLFLEFRSA-N 0 0 517.006 6.364 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009353300 553245290 /nfs/dbraw/zinc/24/52/90/553245290.db2.gz GXRGFWPMAYLTMM-RUZDIDTESA-N 0 0 514.603 6.185 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009350935 553245293 /nfs/dbraw/zinc/24/52/93/553245293.db2.gz ASLVZURQKFEGQK-QKFKETGDSA-N 0 0 502.979 6.056 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000009354189 553245723 /nfs/dbraw/zinc/24/57/23/553245723.db2.gz GFLDJKGHCIPUFS-TXTDGAROSA-N 0 0 514.622 5.043 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009354475 553246012 /nfs/dbraw/zinc/24/60/12/553246012.db2.gz WKVXBMVLYYIAKU-CLYVBNDRSA-N 0 0 515.562 5.345 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009356576 553246585 /nfs/dbraw/zinc/24/65/85/553246585.db2.gz WITAMLLUPQRFHI-NDEPHWFRSA-N 0 0 529.589 5.076 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000009357211 553246907 /nfs/dbraw/zinc/24/69/07/553246907.db2.gz PXFLDFFHZYJPMO-UKJJDJLKSA-N 0 0 502.589 7.349 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009357584 553246978 /nfs/dbraw/zinc/24/69/78/553246978.db2.gz NABRQUAGHFVATO-OWJWWREXSA-N 0 0 500.551 5.850 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009357660 553247020 /nfs/dbraw/zinc/24/70/20/553247020.db2.gz UPNKLMYBXKPODX-JRPXNJEYSA-N 0 0 524.617 6.023 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358900 553247721 /nfs/dbraw/zinc/24/77/21/553247721.db2.gz HXNHKWPZMVCTRT-OWJWWREXSA-N 0 0 500.551 5.850 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009359973 553248245 /nfs/dbraw/zinc/24/82/45/553248245.db2.gz RFPRMVCLFHDUFW-KMRXNPHXSA-N 0 0 529.637 5.300 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009360257 553248295 /nfs/dbraw/zinc/24/82/95/553248295.db2.gz JXKZOSBVCOHYIA-HSZRJFAPSA-N 0 0 507.384 5.410 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360406 553248392 /nfs/dbraw/zinc/24/83/92/553248392.db2.gz ADQQJGZKEYCQAD-IVCQMTBJSA-N 0 0 512.587 5.720 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360827 553248614 /nfs/dbraw/zinc/24/86/14/553248614.db2.gz MFJVWRHSOJOOPA-ZAMGYDSWSA-N 0 0 518.978 5.762 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009370854 553250068 /nfs/dbraw/zinc/25/00/68/553250068.db2.gz HLJFWCUZZDAZEI-AREMUKBSSA-N 0 0 502.567 5.060 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009373818 553250735 /nfs/dbraw/zinc/25/07/35/553250735.db2.gz ZLMADZVKLURLTD-OWJWWREXSA-N 0 0 500.551 5.850 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000009379813 553251594 /nfs/dbraw/zinc/25/15/94/553251594.db2.gz JVWGYHAAWVAVLB-HSZRJFAPSA-N 0 0 516.432 5.407 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000009380031 553251601 /nfs/dbraw/zinc/25/16/01/553251601.db2.gz AIVMBCMRMFQMRC-CAOVUWFBSA-N 0 0 500.598 7.202 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000009380746 553251937 /nfs/dbraw/zinc/25/19/37/553251937.db2.gz NQMJUFKEYGJLAL-PMERELPUSA-N 0 0 504.671 7.207 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009425251 553259302 /nfs/dbraw/zinc/25/93/02/553259302.db2.gz IMVRCQFPFSAJEJ-QHCPKHFHSA-N 0 0 518.591 5.332 50 30 KKEARN Cc1ccc(C(=O)NC(C2=C(Nc3ccc(C)c(C)c3)CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000009425314 553259305 /nfs/dbraw/zinc/25/93/05/553259305.db2.gz YTVGGPOMAZLGGS-UHFFFAOYSA-N 0 0 526.521 6.960 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425162 553259333 /nfs/dbraw/zinc/25/93/33/553259333.db2.gz UIQKXSZJTDGOCE-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 ZINC000009425209 553259348 /nfs/dbraw/zinc/25/93/48/553259348.db2.gz WTKBTVNZDPIQOY-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1O ZINC000009425457 553259467 /nfs/dbraw/zinc/25/94/67/553259467.db2.gz HQJFBCDDPTVFGU-BHGWPJFGSA-N 0 0 504.711 6.218 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc(F)c(Oc3ccccc3)c1)N2 ZINC000009435190 553264128 /nfs/dbraw/zinc/26/41/28/553264128.db2.gz FABFMDSWQYJSTL-WJOKGBTCSA-N 0 0 504.561 7.435 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009451666 553265975 /nfs/dbraw/zinc/26/59/75/553265975.db2.gz YAEWTGQQPAONDQ-QHCPKHFHSA-N 0 0 508.368 5.639 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccncc1 ZINC000009451906 553265990 /nfs/dbraw/zinc/26/59/90/553265990.db2.gz SQSIWWYVUHKRLQ-JQJBXXCASA-N 0 0 521.705 7.860 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009453785 553266093 /nfs/dbraw/zinc/26/60/93/553266093.db2.gz YXILWLUQUMWMQM-GDLZYMKVSA-N 0 0 527.617 5.848 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009455081 553266320 /nfs/dbraw/zinc/26/63/20/553266320.db2.gz UVJMEZNUZULDEJ-CPJLOUKISA-N 0 0 508.401 6.138 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009457941 553266543 /nfs/dbraw/zinc/26/65/43/553266543.db2.gz CKKRNRARBDYHMZ-MUUNZHRXSA-N 0 0 529.589 5.424 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000009459482 553266683 /nfs/dbraw/zinc/26/66/83/553266683.db2.gz CEDWHZRMMVNNTQ-CPJLOUKISA-N 0 0 514.906 6.942 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009460968 553267190 /nfs/dbraw/zinc/26/71/90/553267190.db2.gz SRTUZWUEFBEBRJ-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009461062 553267205 /nfs/dbraw/zinc/26/72/05/553267205.db2.gz FJNBUUKUKWDOLS-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009461199 553267417 /nfs/dbraw/zinc/26/74/17/553267417.db2.gz YWENFGXLLXQRLF-GDLZYMKVSA-N 0 0 523.585 6.344 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009462596 553268509 /nfs/dbraw/zinc/26/85/09/553268509.db2.gz LGTYRLXELYRZFH-SANMLTNESA-N 0 0 510.615 6.376 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009462964 553268702 /nfs/dbraw/zinc/26/87/02/553268702.db2.gz PMCBPPVJFSTHOA-BNHRFMORSA-N 0 0 512.625 7.315 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463448 553268867 /nfs/dbraw/zinc/26/88/67/553268867.db2.gz PHJKDSHAOSSRPR-NDEPHWFRSA-N 0 0 525.580 5.578 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009463380 553268912 /nfs/dbraw/zinc/26/89/12/553268912.db2.gz GGKSODFHCKOUPZ-RUZDIDTESA-N 0 0 512.587 5.776 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000009463227 553268954 /nfs/dbraw/zinc/26/89/54/553268954.db2.gz BQUSZPUTVOPIQK-VWLOTQADSA-N 0 0 511.603 5.825 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463525 553269139 /nfs/dbraw/zinc/26/91/39/553269139.db2.gz OIIYWLPSTBOIBJ-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009463723 553269142 /nfs/dbraw/zinc/26/91/42/553269142.db2.gz YDMCTSPCXNQGIE-NDEPHWFRSA-N 0 0 527.573 5.200 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009470982 553269783 /nfs/dbraw/zinc/26/97/83/553269783.db2.gz CMBBNRODGYNAHE-HHHXNRCGSA-N 0 0 515.562 5.034 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009470814 553269809 /nfs/dbraw/zinc/26/98/09/553269809.db2.gz RZFFOAIMZSGWDT-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009471251 553269824 /nfs/dbraw/zinc/26/98/24/553269824.db2.gz GCKLBINBJNVHKW-DEOSSOPVSA-N 0 0 516.550 5.606 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009471270 553269828 /nfs/dbraw/zinc/26/98/28/553269828.db2.gz ACWIKVNBVZBESP-HSZRJFAPSA-N 0 0 518.978 5.812 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009477408 553272398 /nfs/dbraw/zinc/27/23/98/553272398.db2.gz HQPFCDMDTZXJNC-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1C ZINC000009477417 553272488 /nfs/dbraw/zinc/27/24/88/553272488.db2.gz SMNCKCJOJDFMFB-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000009507505 553275945 /nfs/dbraw/zinc/27/59/45/553275945.db2.gz HJEHZEHFXRQBEF-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000009508036 553275993 /nfs/dbraw/zinc/27/59/93/553275993.db2.gz YBXGDPWFRBTFPY-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000009508035 553276034 /nfs/dbraw/zinc/27/60/34/553276034.db2.gz YBXGDPWFRBTFPY-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2F)cc1OC ZINC000009598279 553284322 /nfs/dbraw/zinc/28/43/22/553284322.db2.gz IDNHKNAFDYRKSA-URAOTHONSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(C)c2)cc1OC ZINC000009598295 553284335 /nfs/dbraw/zinc/28/43/35/553284335.db2.gz MTVWEYWXOQBVCU-QXNWPYRLSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(C)s2)cc1OC ZINC000009598331 553284474 /nfs/dbraw/zinc/28/44/74/553284474.db2.gz BDHVEPWHTQRKKY-IIMAJNMQSA-N 0 0 528.674 6.382 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000009600684 553286100 /nfs/dbraw/zinc/28/61/00/553286100.db2.gz ZGWJWCBZEVBXQB-VNHZXFAYSA-N 0 0 503.639 6.187 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009600692 553286110 /nfs/dbraw/zinc/28/61/10/553286110.db2.gz DUWXINULTZKLJP-DWACAAAGSA-N 0 0 505.680 6.133 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009601059 553286486 /nfs/dbraw/zinc/28/64/86/553286486.db2.gz NUKCMKGVBWNHIV-QFIPXVFZSA-N 0 0 506.967 5.750 50 30 KKEARN Cc1ccccc1Cn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21 ZINC000009635910 553291917 /nfs/dbraw/zinc/29/19/17/553291917.db2.gz CPWSWOIDWTVEFC-AJBULDERSA-N 0 0 508.674 5.610 50 30 KKEARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C2=O)cc1 ZINC000009720702 553300681 /nfs/dbraw/zinc/30/06/81/553300681.db2.gz PECNDPPYAQXBIR-VULFUBBASA-N 0 0 506.587 5.545 50 30 KKEARN COCCN1C(=O)/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)S/C1=N\c1ccccc1 ZINC000009721031 553300898 /nfs/dbraw/zinc/30/08/98/553300898.db2.gz OFXFEHNLZAUEDN-LLTUXPTFSA-N 0 0 506.631 6.120 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000009731338 553302652 /nfs/dbraw/zinc/30/26/52/553302652.db2.gz QKPYAGUEVSUGGM-UHFFFAOYSA-N 0 0 502.449 5.487 50 30 KKEARN Cc1ccc(CN2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009775642 553304454 /nfs/dbraw/zinc/30/44/54/553304454.db2.gz NWPRMRLFHKJTIM-UHFFFAOYSA-N 0 0 532.522 7.643 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775665 553304455 /nfs/dbraw/zinc/30/44/55/553304455.db2.gz GLLXMZGJGDRSON-UHFFFAOYSA-N 0 0 524.488 7.892 50 30 KKEARN COc1ccc(Br)cc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009805298 553308631 /nfs/dbraw/zinc/30/86/31/553308631.db2.gz SPDWXCZEXRCRRP-RBSBEOHCSA-N 0 0 511.419 7.073 50 30 KKEARN CN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009846443 553311820 /nfs/dbraw/zinc/31/18/20/553311820.db2.gz HAPBUHUVSPRCDB-AUPCYSHFSA-N 0 0 510.752 6.256 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000009969622 553322211 /nfs/dbraw/zinc/32/22/11/553322211.db2.gz QJSNJPMCOWNIJN-RUZDIDTESA-N 0 0 509.587 6.200 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccc(C)c(Cl)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000009982759 553323448 /nfs/dbraw/zinc/32/34/48/553323448.db2.gz ABOBMAUYONLBRA-QHCPKHFHSA-N 0 0 501.117 6.991 50 30 KKEARN CC(C)(C)c1ccc([S@](=O)C[C@H](O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000009993159 553323724 /nfs/dbraw/zinc/32/37/24/553323724.db2.gz MXBZKEJWZVZWEX-WRAWZCCESA-N 0 0 526.727 6.846 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)CNc3ccc(Cl)cc3)n2)cc1 ZINC000009993206 553323733 /nfs/dbraw/zinc/32/37/33/553323733.db2.gz OUCHJVISJHLGLW-QHCPKHFHSA-N 0 0 502.039 6.514 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993059 553323764 /nfs/dbraw/zinc/32/37/64/553323764.db2.gz CSEKWHLQLUXGGF-UMSFTDKQSA-N 0 0 503.092 7.290 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000009994090 553324430 /nfs/dbraw/zinc/32/44/30/553324430.db2.gz KUXHZVGZUWOTPU-QFIPXVFZSA-N 0 0 518.591 5.203 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994300 553324600 /nfs/dbraw/zinc/32/46/00/553324600.db2.gz KVIZZCAOKQSNHJ-NDEPHWFRSA-N 0 0 520.670 5.208 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009994537 553324846 /nfs/dbraw/zinc/32/48/46/553324846.db2.gz PRCZXUPWFWUYGJ-DEOSSOPVSA-N 0 0 519.395 5.496 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000010007701 553325482 /nfs/dbraw/zinc/32/54/82/553325482.db2.gz FIZMNUCSKDOFNO-XRHLQHRESA-N 0 0 515.631 6.010 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000010013552 553326079 /nfs/dbraw/zinc/32/60/79/553326079.db2.gz UQSYHAASEFULNB-XHCCPWGMSA-N 0 0 504.964 6.619 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013582 553326095 /nfs/dbraw/zinc/32/60/95/553326095.db2.gz NSOKTZRQSJAWKR-UZTOHYMASA-N 0 0 504.964 6.619 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000010013634 553326220 /nfs/dbraw/zinc/32/62/20/553326220.db2.gz RCRXMDKEEATDLY-WTYVLRPYSA-N 0 0 512.581 5.843 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000012193708 553353918 /nfs/dbraw/zinc/35/39/18/553353918.db2.gz SWTJVHRUCKREOH-VPUSJEBWSA-N 0 0 505.412 6.655 50 30 KKEARN Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1 ZINC000012285397 553356599 /nfs/dbraw/zinc/35/65/99/553356599.db2.gz XWGGOJSMMXIXOG-UHFFFAOYSA-N 0 0 529.640 7.784 50 30 KKEARN C/C(=N/OCc1ccc(Cl)cc1Cl)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1 ZINC000012350234 553359118 /nfs/dbraw/zinc/35/91/18/553359118.db2.gz JAPWPUTWCRNFET-DBSPGSINSA-N 0 0 561.553 8.657 50 30 KKEARN Cc1c(NC(=O)ONC(=N)c2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000012369844 553360177 /nfs/dbraw/zinc/36/01/77/553360177.db2.gz NGQABKMDDPRKEE-UHFFFAOYSA-N 0 0 510.885 5.187 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccc(-c4ccccc4)cc3)c2C#N)cc1 ZINC000012370996 553360234 /nfs/dbraw/zinc/36/02/34/553360234.db2.gz ACJFUOZPLWXBOJ-UHFFFAOYSA-N 0 0 512.634 7.938 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(Br)s1 ZINC000012384438 553362432 /nfs/dbraw/zinc/36/24/32/553362432.db2.gz KQQBRDRELLYQJW-SANMLTNESA-N 0 0 521.480 6.896 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2CC(C)C)cc1 ZINC000012401467 553362457 /nfs/dbraw/zinc/36/24/57/553362457.db2.gz FOBLHNRSESQCLT-OHMGWRBWSA-N 0 0 511.978 5.479 50 30 KKEARN CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012402191 553362797 /nfs/dbraw/zinc/36/27/97/553362797.db2.gz IWCZNNMKKBENEU-NDEPHWFRSA-N 0 0 512.572 5.701 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(Cl)c1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000012402187 553362798 /nfs/dbraw/zinc/36/27/98/553362798.db2.gz QJLSRDXWKMYLOM-XMMPIXPASA-N 0 0 508.899 5.196 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000012413072 553364283 /nfs/dbraw/zinc/36/42/83/553364283.db2.gz WWWRZGSZZCSVQG-VKIDHGPPSA-N 0 0 519.594 5.606 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@H]2c1cccc(Cl)c1 ZINC000012413051 553364311 /nfs/dbraw/zinc/36/43/11/553364311.db2.gz HEEVFTSCLNCCOL-UZINWLIJSA-N 0 0 506.023 6.112 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000012416324 553364857 /nfs/dbraw/zinc/36/48/57/553364857.db2.gz FVQNLOMMHFJLMS-QLXKLKPCSA-N 0 0 502.567 5.616 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000012416284 553364900 /nfs/dbraw/zinc/36/49/00/553364900.db2.gz VEMVMQGEMHQTFH-DNOBIOAJSA-N 0 0 500.620 5.766 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000012529622 553385768 /nfs/dbraw/zinc/38/57/68/553385768.db2.gz OQZTUBCBNGSZGG-UHFFFAOYSA-N 0 0 504.530 5.025 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000012563092 553395352 /nfs/dbraw/zinc/39/53/52/553395352.db2.gz JHDGWMDJPKASRG-ACCUITESSA-N 0 0 500.551 5.478 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N=NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012563621 553395778 /nfs/dbraw/zinc/39/57/78/553395778.db2.gz VEMIOFQGKZEPSJ-UHFFFAOYSA-N 0 0 514.007 5.113 50 30 KKEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012569047 553397937 /nfs/dbraw/zinc/39/79/37/553397937.db2.gz DJSQBRYBHMCKIH-UHFFFAOYSA-N 0 0 521.733 5.946 50 30 KKEARN O=C(CSc1cccc2cccc(Cl)c21)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000012619328 553403365 /nfs/dbraw/zinc/40/33/65/553403365.db2.gz IYUUEOZCXVYONP-UHFFFAOYSA-N 0 0 502.061 5.475 50 30 KKEARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)C3=C4SC=C(c5ccccc5)N4CCCC3)c2)C1 ZINC000012624136 553404525 /nfs/dbraw/zinc/40/45/25/553404525.db2.gz NSQFBEZWURSTRK-OYRHEFFESA-N 0 0 508.709 5.979 50 30 KKEARN C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000012631173 553405659 /nfs/dbraw/zinc/40/56/59/553405659.db2.gz KUKUOYJVQWWUOI-XYGWBWBKSA-N 0 0 513.575 5.071 50 30 KKEARN O=C(C1CCCCC1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652263 553409732 /nfs/dbraw/zinc/40/97/32/553409732.db2.gz HVSKWFHAESDUSP-LGGPFLRQSA-N 0 0 501.026 7.414 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5oncc5C[C@@]34C)[C@@H]2C1 ZINC000012859163 553422617 /nfs/dbraw/zinc/42/26/17/553422617.db2.gz YKCYCQSFKWWXPA-COCIYFACSA-N 0 0 507.715 6.842 50 30 biogenic KKEARN C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000012954091 553429182 /nfs/dbraw/zinc/42/91/82/553429182.db2.gz GJFJVCQZKKFCQG-UHFFFAOYSA-N 0 0 551.929 6.319 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2cc(C)cc(C)c2)=C3Sc2ccc(C)cc2)cc1 ZINC000012955083 553429358 /nfs/dbraw/zinc/42/93/58/553429358.db2.gz GLVQXGBRHJALPT-RQXXSLPSSA-N 0 0 554.759 9.930 50 30 KKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(Cl)cc2Cl)c1Sc1ccc(Br)cc1 ZINC000012955725 553429519 /nfs/dbraw/zinc/42/95/19/553429519.db2.gz UXNYBJXJFKDVEI-CCVNUDIWSA-N 0 0 547.305 7.858 50 30 KKEARN O=C(/C=C\c1cccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1)c1ccc(Cl)cc1 ZINC000012957029 553429793 /nfs/dbraw/zinc/42/97/93/553429793.db2.gz TYVNGUOQFJUDPZ-WTKPLQERSA-N 0 0 550.408 6.504 50 30 KKEARN O=C1[C@@H](/C=N/OCc2ccc(Cl)cc2)CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1/C=N\OCc1ccc(Cl)cc1 ZINC000012957727 553429865 /nfs/dbraw/zinc/42/98/65/553429865.db2.gz XQFUTZSIYAKFMJ-ZRMQTIBYSA-N 0 0 555.418 5.928 50 30 KKEARN N#Cc1cc(C#N)c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc1NC=NOCc1ccc(Cl)cc1 ZINC000012957794 553430152 /nfs/dbraw/zinc/43/01/52/553430152.db2.gz XNIZFPCCLBQUNK-UHFFFAOYSA-N 0 0 575.382 5.253 50 30 KKEARN C=CCN(C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013098628 553447303 /nfs/dbraw/zinc/44/73/03/553447303.db2.gz DMNNSXNWWDNBKK-DEOSSOPVSA-N 0 0 502.039 6.544 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000013470847 553459705 /nfs/dbraw/zinc/45/97/05/553459705.db2.gz QEYZTSBBFRRISY-PBKAENSPSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc(CCNc2nc(N3CCCCC3)c(C#N)c3c2CN(Cc2ccccc2)CC3)cc1OC ZINC000013510640 553467299 /nfs/dbraw/zinc/46/72/99/553467299.db2.gz RURAPAXMHVNTPP-UHFFFAOYSA-N 0 0 511.670 5.174 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(Br)cc1OC ZINC000013540838 553469762 /nfs/dbraw/zinc/46/97/62/553469762.db2.gz BIUMIEMXEKPGRH-VCICBFQVSA-N 0 0 515.473 6.793 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000013548585 553469913 /nfs/dbraw/zinc/46/99/13/553469913.db2.gz KGYOAFFMLAKHEC-XMMPIXPASA-N 0 0 500.620 6.841 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013548359 553470033 /nfs/dbraw/zinc/47/00/33/553470033.db2.gz XZEZXDRNFVFCSB-LJAQVGFWSA-N 0 0 513.634 6.312 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551190 553470417 /nfs/dbraw/zinc/47/04/17/553470417.db2.gz RKJDATURHJCIHD-RUZDIDTESA-N 0 0 514.578 6.346 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551188 553470463 /nfs/dbraw/zinc/47/04/63/553470463.db2.gz RKJDATURHJCIHD-VWLOTQADSA-N 0 0 514.578 6.346 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552746 553470974 /nfs/dbraw/zinc/47/09/74/553470974.db2.gz RXTPMPGAMCKMKM-HSZRJFAPSA-N 0 0 518.566 5.798 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000013571556 553473870 /nfs/dbraw/zinc/47/38/70/553473870.db2.gz UMRQLEOYDDRIDF-SANMLTNESA-N 0 0 505.998 5.842 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000013571433 553473880 /nfs/dbraw/zinc/47/38/80/553473880.db2.gz PFNTXYADKVOKBK-GDLZYMKVSA-N 0 0 521.617 5.748 50 30 KKEARN O=C(C=Cc1ccco1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000013575179 553474871 /nfs/dbraw/zinc/47/48/71/553474871.db2.gz UGMLPBMDOYRMGF-VAWYXSNFSA-N 0 0 510.340 5.083 50 30 KKEARN CCOc1cc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)ccc1OC(F)F ZINC000013591264 553477052 /nfs/dbraw/zinc/47/70/52/553477052.db2.gz BFHGTAUYSITZLU-FQEVSTJZSA-N 0 0 525.592 6.344 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000013662045 553480909 /nfs/dbraw/zinc/48/09/09/553480909.db2.gz MQKYTSIRVHTJEH-FJOMVMCCSA-N 0 0 524.042 5.908 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1)c1ccc(C)cc1 ZINC000013776278 553489932 /nfs/dbraw/zinc/48/99/32/553489932.db2.gz VELWFECXWZWBFV-WLRJZGMVSA-N 0 0 507.594 5.541 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCc1ccccc1 ZINC000013778466 553490227 /nfs/dbraw/zinc/49/02/27/553490227.db2.gz GGUYKMRKLVJBSS-YKPJJRJESA-N 0 0 509.591 5.065 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1F ZINC000013880296 553493881 /nfs/dbraw/zinc/49/38/81/553493881.db2.gz KVWPWVCWNRMONJ-UHFFFAOYSA-N 0 0 532.608 6.844 50 30 KKEARN O=C1/C(=C\c2cc(Br)c(Br)o2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000013880931 553493949 /nfs/dbraw/zinc/49/39/49/553493949.db2.gz NLEQBOBHANEZST-RZPAUPBHSA-N 0 0 504.203 6.613 50 30 KKEARN C=CCc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c(OC)c1 ZINC000013940272 553496217 /nfs/dbraw/zinc/49/62/17/553496217.db2.gz FYYHODVGDIOMRL-DIBXZPPDSA-N 0 0 517.672 6.283 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000013944058 553497326 /nfs/dbraw/zinc/49/73/26/553497326.db2.gz GWLFVUPSVAWNKV-VULFUBBASA-N 0 0 504.392 5.890 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000014129453 553501437 /nfs/dbraw/zinc/50/14/37/553501437.db2.gz YUSOQLUTCCXTEE-UHFFFAOYSA-N 0 0 500.555 5.246 50 30 KKEARN N#CC1(c2ccccc2)C/C(=C\c2cccc(C(F)(F)F)c2)C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C1 ZINC000014356931 553512164 /nfs/dbraw/zinc/51/21/64/553512164.db2.gz GBRMWHNUIUOPJQ-ADYPVIEZSA-N 0 0 511.465 8.016 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nc3ccccc3n1CCC#N)CC2 ZINC000014357875 553512664 /nfs/dbraw/zinc/51/26/64/553512664.db2.gz SEZBFZYBSJLFGJ-NDEPHWFRSA-N 0 0 512.635 5.234 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccccc1OC ZINC000014944947 553521921 /nfs/dbraw/zinc/52/19/21/553521921.db2.gz SNZRSYCQYKRFIZ-RYTUXRKISA-N 0 0 519.594 5.606 50 30 KKEARN C=CCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OCC=C)cc3)nc(-c3ccc(OCC=C)cc3)n2)cc1 ZINC000015015804 553525941 /nfs/dbraw/zinc/52/59/41/553525941.db2.gz CHFLPLIJWWXJLB-BGPOSVGRSA-N 0 0 528.652 8.179 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3/c4cc(Br)ccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000015016678 553526291 /nfs/dbraw/zinc/52/62/91/553526291.db2.gz FUVPLGBSKYLFGS-CAIPHDRASA-N 0 0 518.436 6.221 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(/C=N\Cc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133573 553528021 /nfs/dbraw/zinc/52/80/21/553528021.db2.gz LNZXHJMDUKPAMO-PIKZKSESSA-N 0 0 518.616 6.662 50 30 KKEARN CC(C=Cc1ccc(N(C)C)cc1)=NNC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000015162863 553528475 /nfs/dbraw/zinc/52/84/75/553528475.db2.gz LYEFLPDXMONOOS-OWJCUTBNSA-N 0 0 504.443 5.038 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C=Nc2ccc(CC)cc2)c2ccccc21 ZINC000015162778 553528483 /nfs/dbraw/zinc/52/84/83/553528483.db2.gz RTEUEDCLLRKRJV-UEOZCJFVSA-N 0 0 526.636 6.601 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C=Nc3ccc(CC)cc3)c3ccccc3C2c2ccccc21 ZINC000015162781 553528487 /nfs/dbraw/zinc/52/84/87/553528487.db2.gz RTEUEDCLLRKRJV-RRGMHWAFSA-N 0 0 526.636 6.601 50 30 KKEARN COc1ccc(-c2c3c(nc(SCC(=O)Nc4ccc(Cl)cc4)c2C#N)C(=O)c2ccccc2-3)cc1 ZINC000015231126 553530083 /nfs/dbraw/zinc/53/00/83/553530083.db2.gz OJXTYRSCHNBPHL-UHFFFAOYSA-N 0 0 511.990 6.224 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OC ZINC000015240759 553530282 /nfs/dbraw/zinc/53/02/82/553530282.db2.gz JLSGHSHBDFRSDS-NJIOILOSSA-N 0 0 504.612 5.157 50 30 KKEARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000015722569 553534949 /nfs/dbraw/zinc/53/49/49/553534949.db2.gz MMKPBHYDMMSDLH-DHGZJRMGSA-N 0 0 508.855 6.032 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000015930408 553542430 /nfs/dbraw/zinc/54/24/30/553542430.db2.gz ASQFOYSHGKKDDM-SANMLTNESA-N 0 0 522.501 8.007 50 30 KKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@H](C)C3)cc1 ZINC000015945896 553544158 /nfs/dbraw/zinc/54/41/58/553544158.db2.gz GFCCRGPRCDZWBV-ZAEIUWHCSA-N 0 0 522.623 5.688 50 30 KKEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc(Br)cc2Br)C1=O ZINC000015946398 553544428 /nfs/dbraw/zinc/54/44/28/553544428.db2.gz VWKQWQVUAPTPKI-RAXLEYEMSA-N 0 0 505.162 5.511 50 30 KKEARN CCc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)ccc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000015946488 553544438 /nfs/dbraw/zinc/54/44/38/553544438.db2.gz DLCBGBZCGCTVDD-KLHGDHNKSA-N 0 0 504.696 7.482 50 30 KKEARN COc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1OC ZINC000016037270 553552355 /nfs/dbraw/zinc/55/23/55/553552355.db2.gz GMRFUVVWFGGPMV-WJFVJYPDSA-N 0 0 519.645 6.016 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccc4ccccc4c3)o2)c(Br)c1 ZINC000016157888 553555534 /nfs/dbraw/zinc/55/55/34/553555534.db2.gz ZHNAJVGRMSXLRK-YDZHTSKRSA-N 0 0 500.330 5.083 50 30 KKEARN COc1cc(C=NNc2nc3ccccc3s2)cc(I)c1OCc1ccccc1 ZINC000016195738 553556668 /nfs/dbraw/zinc/55/66/68/553556668.db2.gz IZTAPZSEAABGJJ-ZMOGYAJESA-N 0 0 515.376 5.935 50 30 KKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000016478237 553565842 /nfs/dbraw/zinc/56/58/42/553565842.db2.gz XNQHANOJPICOGL-GJBXTBEHSA-N 0 0 510.593 7.647 50 30 KKEARN O=C1/C(=N/c2cc(C(F)(F)F)ccc2Cl)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000016478852 553565847 /nfs/dbraw/zinc/56/58/47/553565847.db2.gz MEMBKLXAZYXHJW-MHTZHOPKSA-N 0 0 511.975 6.738 50 30 KKEARN N#Cc1c(N[C@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000016699609 553574113 /nfs/dbraw/zinc/57/41/13/553574113.db2.gz NREIMMKTKRQEDT-KRWDZBQOSA-N 0 0 507.668 5.799 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016713691 553575159 /nfs/dbraw/zinc/57/51/59/553575159.db2.gz TXWFSXIKYSCGOS-KDYMBEQYSA-N 0 0 503.649 5.484 50 30 KKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000016728924 553575345 /nfs/dbraw/zinc/57/53/45/553575345.db2.gz MDPQSPZDXAJGGT-UHFFFAOYSA-N 0 0 505.949 6.812 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729897 553576069 /nfs/dbraw/zinc/57/60/69/553576069.db2.gz UCDSTHJBBOJQSA-UFHPHHKVSA-N 0 0 537.653 5.666 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016730027 553576323 /nfs/dbraw/zinc/57/63/23/553576323.db2.gz IALZFGZBKJIVTJ-NDEPHWFRSA-N 0 0 533.621 6.425 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccncc2)c(F)c1 ZINC000016731164 553577045 /nfs/dbraw/zinc/57/70/45/553577045.db2.gz UZUCVTPIRFDUJY-SANMLTNESA-N 0 0 522.548 5.716 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccncc2)c(F)c1 ZINC000016731167 553577087 /nfs/dbraw/zinc/57/70/87/553577087.db2.gz UZUCVTPIRFDUJY-AREMUKBSSA-N 0 0 522.548 5.716 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000016731638 553577108 /nfs/dbraw/zinc/57/71/08/553577108.db2.gz BQGDFUPTILNBGQ-LJAQVGFWSA-N 0 0 529.633 5.978 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731440 553577117 /nfs/dbraw/zinc/57/71/17/553577117.db2.gz BICNSWQYZTYQEQ-NDEPHWFRSA-N 0 0 525.580 5.578 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731211 553577140 /nfs/dbraw/zinc/57/71/40/553577140.db2.gz AXAAQKKDUDQNFA-NDEPHWFRSA-N 0 0 524.548 5.587 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000016733559 553578088 /nfs/dbraw/zinc/57/80/88/553578088.db2.gz AGTIGILBFLCACG-MHZLTWQESA-N 0 0 511.599 6.114 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccc(Br)c1 ZINC000016735627 553578885 /nfs/dbraw/zinc/57/88/85/553578885.db2.gz ONPUGIMANQMEJW-UHFFFAOYSA-N 0 0 510.310 6.271 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016737054 553579086 /nfs/dbraw/zinc/57/90/86/553579086.db2.gz ZQLBQJKNOWZSMY-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000016737066 553579087 /nfs/dbraw/zinc/57/90/87/553579087.db2.gz OQCPEXGMTOOZTD-MUUNZHRXSA-N 0 0 525.557 5.654 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000016737249 553579228 /nfs/dbraw/zinc/57/92/28/553579228.db2.gz HLMXQXXTTFJPJX-NDEPHWFRSA-N 0 0 530.621 5.836 50 30 KKEARN CC(C)(C)c1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000016741562 553579792 /nfs/dbraw/zinc/57/97/92/553579792.db2.gz DPUDFKKBCUKBGR-OKCVXOCRSA-N 0 0 507.034 7.598 50 30 KKEARN COc1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000016741712 553580002 /nfs/dbraw/zinc/58/00/02/553580002.db2.gz AQHLYNRXUFOMFG-CCVNUDIWSA-N 0 0 510.978 6.318 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753396 553580911 /nfs/dbraw/zinc/58/09/11/553580911.db2.gz ZQJGTTAANTVJTR-HSZRJFAPSA-N 0 0 520.632 6.328 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1COc1ccc(F)cc1 ZINC000016946050 553584555 /nfs/dbraw/zinc/58/45/55/553584555.db2.gz CWVZIDPAWPDPDX-SSEXGKCCSA-N 0 0 514.597 6.576 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccccc3)N4)sc2C1 ZINC000017130616 553588453 /nfs/dbraw/zinc/58/84/53/553588453.db2.gz GMIFYSKWKPIXRO-WVBUVRCRSA-N 0 0 527.616 6.880 50 30 KKEARN COC(=O)[C@@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)C(=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C3)C2 ZINC000017185176 553590100 /nfs/dbraw/zinc/59/01/00/553590100.db2.gz DNRXLIQRMGPRKP-LFXZIRCYSA-N 0 0 512.563 5.346 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242305 553590896 /nfs/dbraw/zinc/59/08/96/553590896.db2.gz QXZKXWGZLWRWCS-NRFANRHFSA-N 0 0 518.595 5.592 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242430 553590911 /nfs/dbraw/zinc/59/09/11/553590911.db2.gz YFLXKOLPSHNDSI-JOCHJYFZSA-N 0 0 521.614 5.419 50 30 KKEARN O=C(Nc1ccc(F)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575371 553591237 /nfs/dbraw/zinc/59/12/37/553591237.db2.gz BNNQVCGYIKNELI-UHFFFAOYSA-N 0 0 591.620 7.427 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000020134305 553592509 /nfs/dbraw/zinc/59/25/09/553592509.db2.gz FHTNXEQYNMFTAO-NRFANRHFSA-N 0 0 521.614 5.419 50 30 KKEARN CCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000070665851 553597167 /nfs/dbraw/zinc/59/71/67/553597167.db2.gz BVMVRPVYRJQROP-GXYQFVLDSA-N 0 0 556.872 9.095 50 30 biogenic KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070665969 553597383 /nfs/dbraw/zinc/59/73/83/553597383.db2.gz XBKPWPUIOKMUSY-LWULPYQPSA-N 0 0 525.217 10.195 50 30 biogenic KKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1 ZINC000017527707 553597477 /nfs/dbraw/zinc/59/74/77/553597477.db2.gz FILYVGLNOCJALY-UHFFFAOYSA-N 0 0 521.933 5.734 50 30 KKEARN CCCCCCCCCCCCCCCCSC[C@H](COC)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000017654916 553599027 /nfs/dbraw/zinc/59/90/27/553599027.db2.gz ODEDPKNSRBCSDO-AREMUKBSSA-O 0 0 526.785 7.303 50 30 in-man KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000020158582 553600209 /nfs/dbraw/zinc/60/02/09/553600209.db2.gz MJQRJTLMGGYIQK-DWXRJYCRSA-N 0 0 519.619 5.104 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000017921406 553600614 /nfs/dbraw/zinc/60/06/14/553600614.db2.gz IIXHLGRTVALNLX-PCLIKHOPSA-N 0 0 508.590 6.782 50 30 KKEARN N#Cc1c(NC(=O)CCSCCC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2 ZINC000020160675 553600712 /nfs/dbraw/zinc/60/07/12/553600712.db2.gz ZAPGPZVIAQYURH-UHFFFAOYSA-N 0 0 526.753 6.181 50 30 KKEARN CCCCOc1ccc(Br)cc1/C=C1/S/C(=N\c2ccccc2)N(Cc2cccnc2)C1=O ZINC000018036834 553601827 /nfs/dbraw/zinc/60/18/27/553601827.db2.gz VTBHVEBVKDOFPZ-JTUAQWGLSA-N 0 0 522.468 6.827 50 30 KKEARN O=C(Nc1ccc(/N=C\c2ccc(Cl)cc2)cc1Cl)c1ccc(/N=C\c2ccc(Cl)cc2)cc1 ZINC000018042297 553602202 /nfs/dbraw/zinc/60/22/02/553602202.db2.gz PTQUEGJYEQODAW-GMMGGFQHSA-N 0 0 506.820 8.400 50 30 KKEARN COc1ccc(OCc2cc([C@H]3C(C(=O)Nc4cc(C)ccn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1 ZINC000018059037 553602459 /nfs/dbraw/zinc/60/24/59/553602459.db2.gz QGZMEUWKCPAVQP-PMERELPUSA-N 0 0 539.632 5.593 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(C)=O ZINC000070673574 553603644 /nfs/dbraw/zinc/60/36/44/553603644.db2.gz BWKVHCZHZKCQPZ-XWNKHFJGSA-N 0 0 540.660 6.802 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070680347 553604055 /nfs/dbraw/zinc/60/40/55/553604055.db2.gz WGMBIIYEDHIMTH-TWIREXCISA-N 0 0 601.828 8.988 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000018107021 553604416 /nfs/dbraw/zinc/60/44/16/553604416.db2.gz WWLRNSANICBSJO-NDEPHWFRSA-N 0 0 515.997 6.634 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000018114758 553604686 /nfs/dbraw/zinc/60/46/86/553604686.db2.gz UJFUHSGUWSDHNI-RUZDIDTESA-N 0 0 566.078 7.712 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018116338 553604731 /nfs/dbraw/zinc/60/47/31/553604731.db2.gz VWPJLJBEVRWZLJ-JRPXNJEYSA-N 0 0 514.597 6.400 50 30 KKEARN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000018116073 553604747 /nfs/dbraw/zinc/60/47/47/553604747.db2.gz OTKRUQXKDGIMET-CHJDUVSTSA-N 0 0 508.618 7.410 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2[nH]cc(/C=N/NC(=S)Nc3ccc(F)c(Cl)c3)c2c1 ZINC000020183299 553604923 /nfs/dbraw/zinc/60/49/23/553604923.db2.gz DMOAENIHGHCOIS-VULFUBBASA-N 0 0 510.060 5.092 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)c(OC)c3)C4=O)c2c1 ZINC000070681081 553604966 /nfs/dbraw/zinc/60/49/66/553604966.db2.gz BWCCWHIDZUNHEN-LQNQUEJISA-N 0 0 562.574 7.351 50 30 biogenic KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)cc3OC)C4=O)c2c1 ZINC000070686632 553605223 /nfs/dbraw/zinc/60/52/23/553605223.db2.gz FFWGXDPQWBCUAL-FDVSRXAVSA-N 0 0 548.547 6.961 50 30 biogenic KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C(=O)Nc2ncccc2C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000018127041 553605422 /nfs/dbraw/zinc/60/54/22/553605422.db2.gz PSJCXRVRQDZKOC-YUDQIZAISA-N 0 0 564.089 6.538 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C(=O)OC)cc3)C4=O)c2c1 ZINC000070686670 553605659 /nfs/dbraw/zinc/60/56/59/553605659.db2.gz BPIFYCSNHXAZFZ-RHANQZHGSA-N 0 0 560.558 7.121 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000018129046 553605691 /nfs/dbraw/zinc/60/56/91/553605691.db2.gz UQHBKEKIVCEODL-YKGWIAGDSA-N 0 0 543.063 6.666 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccco1 ZINC000018137564 553605694 /nfs/dbraw/zinc/60/56/94/553605694.db2.gz JSUPHSLJZOSFQO-UDNBHOFDSA-N 0 0 510.678 8.058 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1coc2ccccc2c1=O ZINC000020190936 553605910 /nfs/dbraw/zinc/60/59/10/553605910.db2.gz SIPNUSYRXSLSJI-GKVSMKOHSA-N 0 0 521.660 5.512 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000018142667 553605986 /nfs/dbraw/zinc/60/59/86/553605986.db2.gz VCUOOHRVHYFQBV-RBSBEOHCSA-N 0 0 516.594 5.709 50 30 KKEARN C[C@H](C(=O)Oc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000018157776 553606561 /nfs/dbraw/zinc/60/65/61/553606561.db2.gz DJXYBWQDRIAXEV-DNOBIOAJSA-N 0 0 572.617 5.214 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018172532 553607228 /nfs/dbraw/zinc/60/72/28/553607228.db2.gz AVAHFWFFLUFJHE-WRONEBCDSA-N 0 0 502.998 6.278 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000018179209 553607567 /nfs/dbraw/zinc/60/75/67/553607567.db2.gz DJTLABYYEVTKAM-QHCPKHFHSA-N 0 0 508.615 5.549 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018180898 553607701 /nfs/dbraw/zinc/60/77/01/553607701.db2.gz KNYOBDIQBQFVLJ-UKPGIYTDSA-N 0 0 526.633 6.331 50 30 KKEARN CCOc1cccc(NC(=O)[C@H](C#N)Cc2ccc(COc3ccc(Cl)c(Cl)c3)c(OCC)c2)c1 ZINC000018192485 553608004 /nfs/dbraw/zinc/60/80/04/553608004.db2.gz UAVMXWFTJIHNGH-FQEVSTJZSA-N 0 0 513.421 6.691 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197732 553608873 /nfs/dbraw/zinc/60/88/73/553608873.db2.gz ZFKBAEZBTLQGQQ-AKJBCIBTSA-N 0 0 506.458 7.507 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000018198007 553609177 /nfs/dbraw/zinc/60/91/77/553609177.db2.gz BMLMCVQEOBMESK-MNNSJKJDSA-N 0 0 508.578 5.290 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Oc4ccccc4)c3)C2)cc(OC)c1OC ZINC000018198535 553609412 /nfs/dbraw/zinc/60/94/12/553609412.db2.gz ATPGHVRKSIYMRD-VKGTZQKMSA-N 0 0 524.577 5.512 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccc(Cl)c2Cl)cc(OC)c1OC ZINC000018198894 553610100 /nfs/dbraw/zinc/61/01/00/553610100.db2.gz NEEUGDSIGUPFKP-WLRWDXFRSA-N 0 0 516.381 5.406 50 30 KKEARN CCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000070692261 553610726 /nfs/dbraw/zinc/61/07/26/553610726.db2.gz VPPBYLVCVQXCGD-XWVXURLBSA-N 0 0 560.703 5.378 50 30 biogenic KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5ccccc5F)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692254 553610734 /nfs/dbraw/zinc/61/07/34/553610734.db2.gz PGLSEWFLYPCBSX-VPJARDELSA-N 0 0 524.761 10.039 50 30 biogenic KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)C(C)(C)Br)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692375 553611418 /nfs/dbraw/zinc/61/14/18/553611418.db2.gz XXKAHEPTTFPVMT-WFRCDSPSSA-N 0 0 551.719 10.118 50 30 biogenic KKEARN N#Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000018254432 553611539 /nfs/dbraw/zinc/61/15/39/553611539.db2.gz SNIBPKOEDAGUPW-YKGWIAGDSA-N 0 0 519.601 6.973 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018250750 553611636 /nfs/dbraw/zinc/61/16/36/553611636.db2.gz BYKKQESTNQHJKV-JPQMRUPTSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018325056 553612207 /nfs/dbraw/zinc/61/22/07/553612207.db2.gz WDGYXGDEIGGBHT-UKPGIYTDSA-N 0 0 514.622 6.778 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070697507 553612814 /nfs/dbraw/zinc/61/28/14/553612814.db2.gz OUYPDQHVBQNYBF-FUNJXQBDSA-N 0 0 546.792 8.673 50 30 biogenic KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000020219373 553614831 /nfs/dbraw/zinc/61/48/31/553614831.db2.gz CLDSKYHRPCSWAC-SANMLTNESA-N 0 0 532.637 5.040 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccs2)cc1OC ZINC000019727599 553615711 /nfs/dbraw/zinc/61/57/11/553615711.db2.gz NWFJWXGQZMBDHV-OLILMLBXSA-N 0 0 514.647 6.074 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000019761338 553616051 /nfs/dbraw/zinc/61/60/51/553616051.db2.gz SSIDHYMYMMSQMK-PQXCKQOFSA-N 0 0 508.014 5.969 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000019770182 553616089 /nfs/dbraw/zinc/61/60/89/553616089.db2.gz TVIMWXDXVPZHKE-NFQMXDRXSA-N 0 0 524.013 5.587 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000019770989 553616447 /nfs/dbraw/zinc/61/64/47/553616447.db2.gz VOSYOYIMCLKHNY-XMMPIXPASA-N 0 0 509.986 5.345 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019798690 553617211 /nfs/dbraw/zinc/61/72/11/553617211.db2.gz PVTKLYMWOWPFFV-KIKZRXFUSA-N 0 0 518.868 7.350 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000019804535 553617571 /nfs/dbraw/zinc/61/75/71/553617571.db2.gz QJVYDJLRJMJUDR-DEOSSOPVSA-N 0 0 506.385 6.314 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000019804612 553617695 /nfs/dbraw/zinc/61/76/95/553617695.db2.gz BPONWAPKMUDXLX-DEOSSOPVSA-N 0 0 519.956 5.808 50 30 KKEARN COc1ccc(C(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000019831740 553622922 /nfs/dbraw/zinc/62/29/22/553622922.db2.gz QSCYQFULVMHIMI-IAPPQJPRSA-N 0 0 505.570 5.957 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019848616 553623675 /nfs/dbraw/zinc/62/36/75/553623675.db2.gz FNOWZTMNFWPNII-GKVSMKOHSA-N 0 0 512.002 5.291 50 30 biogenic,in-vitro KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019881770 553629444 /nfs/dbraw/zinc/62/94/44/553629444.db2.gz ARDRAZJSULHJRI-LGGPFLRQSA-N 0 0 535.637 5.042 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000019892367 553630572 /nfs/dbraw/zinc/63/05/72/553630572.db2.gz KVQKOKREOORSOV-UZTOHYMASA-N 0 0 526.029 5.299 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000019892524 553631121 /nfs/dbraw/zinc/63/11/21/553631121.db2.gz VZBTXNPAVDKOMJ-NFQMXDRXSA-N 0 0 510.030 6.062 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000019892682 553631376 /nfs/dbraw/zinc/63/13/76/553631376.db2.gz VKVVZFWBZZNONR-PIKZIKFNSA-N 0 0 521.679 6.131 50 30 KKEARN C=CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2SCC=C)CC1 ZINC000019893640 553631523 /nfs/dbraw/zinc/63/15/23/553631523.db2.gz UDRWJXYFIMKPJE-UHFFFAOYSA-N 0 0 507.508 6.148 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000019892738 553631560 /nfs/dbraw/zinc/63/15/60/553631560.db2.gz HQBCXBGBQAMKEF-KMRXNPHXSA-N 0 0 521.679 5.670 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000020468198 553657033 /nfs/dbraw/zinc/65/70/33/553657033.db2.gz NPIQDWHLXBXTDD-UHFFFAOYSA-N 0 0 520.680 6.485 50 30 KKEARN CN1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000020528385 553669139 /nfs/dbraw/zinc/66/91/39/553669139.db2.gz GZZAGYNRXIWPNT-OQIGUVFWSA-N 0 0 501.626 6.826 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000020058075 553671397 /nfs/dbraw/zinc/67/13/97/553671397.db2.gz UVMOHAJWAKLTTG-JHOBJCJYSA-N 0 0 509.602 5.809 50 30 KKEARN CC[C@H]1CCc2c(sc(/N=C/c3ccc(OC)c(OCc4ccc(F)cc4)c3)c2C(=O)NC2CC2)C1 ZINC000020562854 553673322 /nfs/dbraw/zinc/67/33/22/553673322.db2.gz NUUJDMHJWCGCJJ-ZEHKQSLBSA-N 0 0 506.643 6.633 50 30 KKEARN COc1cc(/C=C2\CC/C(=C/c3cc(Cl)c(OC(C)=O)c(OC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000083312810 553676690 /nfs/dbraw/zinc/67/66/90/553676690.db2.gz FTARXZMKTPCRCQ-ZZDPWUPLSA-N 0 0 505.350 5.691 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000083309973 553676734 /nfs/dbraw/zinc/67/67/34/553676734.db2.gz LPVXDPQBNQEEFD-HQKGYENSSA-N 0 0 520.496 7.403 50 30 KKEARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(SCC#N)n(Cc3ccccc3)c(=O)c12 ZINC000020102161 553687282 /nfs/dbraw/zinc/68/72/82/553687282.db2.gz YHWFKXXBLQNSBB-UHFFFAOYSA-N 0 0 514.554 5.702 50 30 KKEARN Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1C ZINC000020103743 553687849 /nfs/dbraw/zinc/68/78/49/553687849.db2.gz YZSVTMITSOIMAA-UHFFFAOYSA-N 0 0 533.068 7.755 50 30 KKEARN CC(=O)N1CCC2(CC1)C/C(=N\NC(=S)Nc1ccc(Oc3ccccc3)cc1)c1cc(O)ccc1O2 ZINC000020682648 553688245 /nfs/dbraw/zinc/68/82/45/553688245.db2.gz MONIWPNULAQIHV-QCWLDUFUSA-N 0 0 516.623 5.039 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(C)cccc1CC)CC1(CCCCC1)O2 ZINC000020683035 553688480 /nfs/dbraw/zinc/68/84/80/553688480.db2.gz YNWJHVBVMPOBRA-JJKYIXSRSA-N 0 0 509.672 5.675 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cc(C)ccc1C)C[C@@](C)(c1cccnc1)O2 ZINC000020685968 553688934 /nfs/dbraw/zinc/68/89/34/553688934.db2.gz WDNJEIYHGDMBEZ-NOJQWQQXSA-N 0 0 518.639 5.029 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1csc(Nc2ccccc2)n1 ZINC000089914000 553694326 /nfs/dbraw/zinc/69/43/26/553694326.db2.gz MSCUREOWRZEODI-UHFFFAOYSA-N 0 0 511.676 7.203 50 30 KKEARN COc1c2c(cc3c1[C@H](C#CCNc1ccc(Sc4ccc([N+](=O)[O-])cc4)cc1)N(C)CC3)OCO2 ZINC000020113551 553695421 /nfs/dbraw/zinc/69/54/21/553695421.db2.gz XXYBHYHMPREZJY-QHCPKHFHSA-N 0 0 503.580 5.128 50 30 biogenic KKEARN COc1cc(/C=C2\CN(C(C)C)C/C(=C/c3ccc(OCC(C)C)c(OC)c3)C2=O)ccc1OCC(C)C ZINC000020115333 553696816 /nfs/dbraw/zinc/69/68/16/553696816.db2.gz QDRKJKZDMABQHT-VVCLLGATSA-N 0 0 521.698 6.534 50 30 KKEARN CC(C)(C)C1C/C(=C\c2cc(Br)cs2)C(=O)/C(=C/c2cc(Br)cs2)C1 ZINC000020115572 553697104 /nfs/dbraw/zinc/69/71/04/553697104.db2.gz GYLCOVNZVGRFRA-PWHKKFIBSA-N 0 0 500.321 7.827 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)C1 ZINC000020115592 553697108 /nfs/dbraw/zinc/69/71/08/553697108.db2.gz PQWYVMUVDSBYCS-RYQLWAFASA-N 0 0 520.710 8.161 50 30 KKEARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\CN(C)C/C(=C\c2cn(-c3ccccc3)nc2CC(C)C)C1=O ZINC000020115464 553697134 /nfs/dbraw/zinc/69/71/34/553697134.db2.gz SFHNYEGBZHPFJL-UOSOPFLXSA-N 0 0 533.720 6.437 50 30 KKEARN FC(F)(F)C(c1nc(Nc2ccccc2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000095100394 553698688 /nfs/dbraw/zinc/69/86/88/553698688.db2.gz WIFCYVFLBDMDPJ-UHFFFAOYSA-N 0 0 608.227 7.465 50 30 KKEARN FC(F)(F)C(c1nc(Nc2ccc(Br)cc2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000095100402 553698998 /nfs/dbraw/zinc/69/89/98/553698998.db2.gz RPFLVIYROQETOE-UHFFFAOYSA-N 0 0 687.123 8.227 50 30 KKEARN O=C(Nc1cccc2ccccc21)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100642 553699196 /nfs/dbraw/zinc/69/91/96/553699196.db2.gz VATLADSQTZJOII-OCCSQVGLSA-N 0 0 621.243 7.651 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC(=O)c4ccc(F)cc4)nn32)c1OC ZINC000020850048 553699659 /nfs/dbraw/zinc/69/96/59/553699659.db2.gz FEJJHRAXWLKHHD-HSZRJFAPSA-N 0 0 522.602 5.068 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000095670888 553707088 /nfs/dbraw/zinc/70/70/88/553707088.db2.gz DUUXWNMBZGXHSM-MRCUWXFGSA-N 0 0 515.498 6.542 50 30 KKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671253 553707216 /nfs/dbraw/zinc/70/72/16/553707216.db2.gz CAAQNKVBCKOIAP-UHFFFAOYSA-N 0 0 646.128 8.723 50 30 KKEARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@](F)(Br)C(F)(F)[C@](F)(Cl)Br ZINC000095676959 553707479 /nfs/dbraw/zinc/70/74/79/553707479.db2.gz QJQQQFAGKHFLNC-WQDFQPDFSA-N 0 0 553.666 6.467 50 30 KKEARN C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681701 553707602 /nfs/dbraw/zinc/70/76/02/553707602.db2.gz XAENZTGUQXVFPQ-UHFFFAOYSA-N 0 0 500.173 5.818 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681658 553707618 /nfs/dbraw/zinc/70/76/18/553707618.db2.gz WYCXYEWKMLSDBQ-UHFFFAOYSA-N 0 0 700.123 8.165 50 30 KKEARN C=CC(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681684 553707626 /nfs/dbraw/zinc/70/76/26/553707626.db2.gz DAEIFBGPFDVHNR-YFKPBYRVSA-N 0 0 548.189 5.476 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)C(F)(F)F)C1(F)F ZINC000095681826 553707868 /nfs/dbraw/zinc/70/78/68/553707868.db2.gz KJWVJLNGXBWWIH-CRGVEWFDSA-N 0 0 566.076 6.920 50 30 KKEARN C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681880 553707952 /nfs/dbraw/zinc/70/79/52/553707952.db2.gz HBZFBSFGXQBQTB-UHFFFAOYSA-N 0 0 532.190 6.505 50 30 KKEARN F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681851 553707958 /nfs/dbraw/zinc/70/79/58/553707958.db2.gz QRLOKTBZZPZAMX-ISNJSZFYSA-N 0 0 618.080 7.326 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095682027 553707964 /nfs/dbraw/zinc/70/79/64/553707964.db2.gz CJFAZQXPXXDAQR-UHFFFAOYSA-N 0 0 578.112 6.439 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br ZINC000095697017 553708451 /nfs/dbraw/zinc/70/84/51/553708451.db2.gz IKLGPUSJUIHNMO-UHFFFAOYSA-N 0 0 596.962 6.778 50 30 KKEARN N#Cc1c(Sc2ccccc2NC(=O)Nc2ccc(Cl)cc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000095703729 553708681 /nfs/dbraw/zinc/70/86/81/553708681.db2.gz PMXXEJMOHKWMSV-UHFFFAOYSA-N 0 0 530.984 8.149 50 30 KKEARN CN(C(=O)COc1ccc(Cl)cc1)[C@@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O ZINC000021539634 553711667 /nfs/dbraw/zinc/71/16/67/553711667.db2.gz MZOZADCRZZFDPL-UZQAFXRVSA-N 0 0 500.447 6.624 50 30 KKEARN O[C@H](c1ccccc1)C(N=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000095742844 553712350 /nfs/dbraw/zinc/71/23/50/553712350.db2.gz APYVRZJMFQGHSR-OTLOZZHNSA-N 0 0 532.647 8.027 50 30 KKEARN CC(=CNOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000095748006 553712655 /nfs/dbraw/zinc/71/26/55/553712655.db2.gz GKJGVOFITSPZHB-NBWJZYFFSA-N 0 0 534.614 7.548 50 30 KKEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C ZINC000096021956 553718682 /nfs/dbraw/zinc/71/86/82/553718682.db2.gz YDKLPCOPUWWDRF-SANMLTNESA-N 0 0 610.618 5.539 50 30 KKEARN Cc1c(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000021885552 553720837 /nfs/dbraw/zinc/72/08/37/553720837.db2.gz YBKLBXPHNQFELG-UHFFFAOYSA-N 0 0 504.055 6.091 50 30 KKEARN Cc1ccc(S(=O)(=O)N=[P@@](/C=C2/N(C)c3ccccc3C2(C)C)(Oc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000096022798 553722559 /nfs/dbraw/zinc/72/25/59/553722559.db2.gz POVDBBSVCNKVTH-LDCSAYNUSA-N 0 0 567.651 7.345 50 30 KKEARN Cc1ccc(S(=O)(=O)N=[P@@](/C=C2\N(C)c3ccccc3C2(C)C)(Oc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000096022797 553722636 /nfs/dbraw/zinc/72/26/36/553722636.db2.gz POVDBBSVCNKVTH-ICNQDWGVSA-N 0 0 567.651 7.345 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000096101693 553724304 /nfs/dbraw/zinc/72/43/04/553724304.db2.gz JIOHXACECLISJQ-QHCPKHFHSA-N 0 0 524.415 5.103 50 30 KKEARN C=CCn1c(SCc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nnc1-c1ccc(C)cc1 ZINC000096290999 553744465 /nfs/dbraw/zinc/74/44/65/553744465.db2.gz FUZKNOSRXOUTOB-UHFFFAOYSA-N 0 0 527.669 5.833 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cccc(Cl)c3N2[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000096602455 553756969 /nfs/dbraw/zinc/75/69/69/553756969.db2.gz QZZZZIXCQPOXGF-VDKIKQQVSA-N 0 0 514.810 6.387 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000096609650 553757261 /nfs/dbraw/zinc/75/72/61/553757261.db2.gz FOTCLXPLHYCDGM-LMTAGKIXSA-N 0 0 516.619 5.993 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000097406765 553758566 /nfs/dbraw/zinc/75/85/66/553758566.db2.gz RLBQPKHSPCFVSV-LFVJCYFKSA-N 0 0 517.578 5.575 50 30 KKEARN O=C(/C=C/c1ccccc1)Sc1ccc(Sc2ccc(SC(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000097406717 553758703 /nfs/dbraw/zinc/75/87/03/553758703.db2.gz MKHOBWKPGOMIBA-ZCJKAFFOSA-N 0 0 510.705 8.502 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000097939636 553759962 /nfs/dbraw/zinc/75/99/62/553759962.db2.gz DGVNITGPVSEIEZ-HFJWLAOPSA-N 0 0 535.687 5.821 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000097939689 553760569 /nfs/dbraw/zinc/76/05/69/553760569.db2.gz ZKIRJRVAFMAOJR-WQIZZMQYSA-N 0 0 545.548 5.329 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000097939815 553761622 /nfs/dbraw/zinc/76/16/22/553761622.db2.gz KZLPNLQWWXMICX-RCRUUEGKSA-N 0 0 543.063 6.666 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939822 553761631 /nfs/dbraw/zinc/76/16/31/553761631.db2.gz AOLCVPZGVWUFSG-RBBQXQBVSA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2Cl)cc1 ZINC000097939851 553761848 /nfs/dbraw/zinc/76/18/48/553761848.db2.gz HDZQJPSEHOUXKQ-WRGVRERRSA-N 0 0 559.062 6.366 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939846 553761856 /nfs/dbraw/zinc/76/18/56/553761856.db2.gz CXAYAJDXPWOPMS-UDNBHOFDSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939922 553762512 /nfs/dbraw/zinc/76/25/12/553762512.db2.gz WWIACQZUVKKUKA-CAQRMWTPSA-N 0 0 582.697 6.420 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939962 553762752 /nfs/dbraw/zinc/76/27/52/553762752.db2.gz NMQBWZSIUYQTET-QNLPTKCRSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C)c1 ZINC000097939949 553762780 /nfs/dbraw/zinc/76/27/80/553762780.db2.gz BZGGORQTJLDJBD-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940600 553766493 /nfs/dbraw/zinc/76/64/93/553766493.db2.gz RQLGVPSXUKPRSU-UHFFFAOYSA-N 0 0 591.861 8.179 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O ZINC000097945214 553770679 /nfs/dbraw/zinc/77/06/79/553770679.db2.gz ZYLRTPMZZHVONB-UHFFFAOYSA-N 0 0 504.454 7.872 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000097945710 553774121 /nfs/dbraw/zinc/77/41/21/553774121.db2.gz WQGIJKUYLBKJIX-QNLPTKCRSA-N 0 0 535.043 7.563 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000097945908 553775426 /nfs/dbraw/zinc/77/54/26/553775426.db2.gz OHORUJATEPASPZ-WNSROMTISA-N 0 0 538.688 7.493 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000097945910 553775489 /nfs/dbraw/zinc/77/54/89/553775489.db2.gz OHORUJATEPASPZ-QCBOHVIISA-N 0 0 538.688 7.493 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000097946007 553776007 /nfs/dbraw/zinc/77/60/07/553776007.db2.gz DBQVRZKNEFHGQQ-HPMVVLTCSA-N 0 0 540.679 7.951 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccs3)C2)cc1 ZINC000097946027 553776098 /nfs/dbraw/zinc/77/60/98/553776098.db2.gz FAKLVZSYEGABCR-JRPXNJEYSA-N 0 0 541.072 7.625 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097946169 553777210 /nfs/dbraw/zinc/77/72/10/553777210.db2.gz WGJWTCMRKFMMFT-OINPTKSXSA-N 0 0 608.745 5.196 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946220 553777624 /nfs/dbraw/zinc/77/76/24/553777624.db2.gz SGWSWIKHSNXVJK-FUZBLHKMSA-N 0 0 658.780 5.699 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946249 553777916 /nfs/dbraw/zinc/77/79/16/553777916.db2.gz LVNSIODKRBFQSZ-JBDWOJPXSA-N 0 0 732.859 6.176 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1C ZINC000097946394 553779004 /nfs/dbraw/zinc/77/90/04/553779004.db2.gz CKFXXPMDFGHWRP-IQPMGOHCSA-N 0 0 660.796 5.921 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(C)c1 ZINC000097946455 553779496 /nfs/dbraw/zinc/77/94/96/553779496.db2.gz XFKYZISQTVSWCZ-SJIPCVTESA-N 0 0 536.635 7.247 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1C ZINC000097946453 553779501 /nfs/dbraw/zinc/77/95/01/553779501.db2.gz RDSLKGOIQXXYGY-BRPDVVIDSA-N 0 0 567.736 6.865 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000097946458 553779502 /nfs/dbraw/zinc/77/95/02/553779502.db2.gz KTVHMDYVQNRRAD-BRPDVVIDSA-N 0 0 583.735 6.565 50 30 KKEARN CCCCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1OC ZINC000097946508 553779840 /nfs/dbraw/zinc/77/98/40/553779840.db2.gz ZMQPXRYBWHUJGY-HYARGMPZSA-N 0 0 518.466 6.030 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000097946541 553780033 /nfs/dbraw/zinc/78/00/33/553780033.db2.gz AGZMBLCJMMGRBP-MKDPPFIESA-N 0 0 526.772 6.047 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023446163 553780309 /nfs/dbraw/zinc/78/03/09/553780309.db2.gz XFCGISJSHVQVTN-MHZLTWQESA-N 0 0 524.448 5.590 50 30 KKEARN N#Cc1cccc(OC2CC3CCC(C2)N3C(=O)c2ccc(CSc3cc(Cl)ccc3Cl)cc2)c1 ZINC000023447360 553780832 /nfs/dbraw/zinc/78/08/32/553780832.db2.gz QVYVUNVFWKULPJ-HCGNOCCLSA-N 0 0 523.485 7.372 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)cc1 ZINC000097946843 553781872 /nfs/dbraw/zinc/78/18/72/553781872.db2.gz NGERBGIOOAGALK-ANYBSYGZSA-N 0 0 575.694 5.962 50 30 KKEARN O=C(Nc1cccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000023456351 553784058 /nfs/dbraw/zinc/78/40/58/553784058.db2.gz SKXRJECLMXCESW-UHFFFAOYSA-N 0 0 500.370 5.958 50 30 KKEARN CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000097947250 553785033 /nfs/dbraw/zinc/78/50/33/553785033.db2.gz GTUSEAINGMZEPG-JLPGSUDCSA-N 0 0 564.733 5.905 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097947470 553786543 /nfs/dbraw/zinc/78/65/43/553786543.db2.gz JGQDIWQBLMBXJW-VZVSMJQGSA-N 0 0 686.790 5.477 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947656 553787793 /nfs/dbraw/zinc/78/77/93/553787793.db2.gz ZIVWDSCZZSQJDN-DFXMODJXSA-N 0 0 651.144 5.396 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947665 553787827 /nfs/dbraw/zinc/78/78/27/553787827.db2.gz PXXMEBQWIFWTKE-MFCBUNOESA-N 0 0 609.487 5.457 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)c2nc3ccccc3o2)cc1 ZINC000097947719 553788366 /nfs/dbraw/zinc/78/83/66/553788366.db2.gz UFOZHBGHSBGWHM-HFTWOUSFSA-N 0 0 533.624 8.018 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097947888 553789431 /nfs/dbraw/zinc/78/94/31/553789431.db2.gz OXYFERPBQACBJV-HFJWLAOPSA-N 0 0 545.388 7.765 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1Cl ZINC000097948016 553790501 /nfs/dbraw/zinc/79/05/01/553790501.db2.gz XQVYHJQPKDBKTO-UHFFFAOYSA-N 0 0 549.063 7.358 50 30 KKEARN Cc1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C ZINC000097948221 553792065 /nfs/dbraw/zinc/79/20/65/553792065.db2.gz MRLFPPSJTVMNGU-UHFFFAOYSA-N 0 0 558.476 7.204 50 30 KKEARN COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000097948335 553793217 /nfs/dbraw/zinc/79/32/17/553793217.db2.gz UEDUQRPFYTXJMS-MHZLTWQESA-N 0 0 564.469 7.629 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2ccccc2Cl)cc1 ZINC000097948403 553793596 /nfs/dbraw/zinc/79/35/96/553793596.db2.gz FKDDPJNBUHNRRE-ICACTRECSA-N 0 0 567.154 8.913 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2ccccc2Cl)cc1 ZINC000097948404 553793604 /nfs/dbraw/zinc/79/36/04/553793604.db2.gz FKDDPJNBUHNRRE-APYJYERMSA-N 0 0 567.154 8.913 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025150386 553796432 /nfs/dbraw/zinc/79/64/32/553796432.db2.gz KGQWFMDBACYKBO-SDSYOPADSA-N 0 0 526.658 6.119 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097948767 553796584 /nfs/dbraw/zinc/79/65/84/553796584.db2.gz XHJQJUASFJJLER-AYLZSAKASA-N 0 0 602.684 6.049 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1 ZINC000097948842 553797063 /nfs/dbraw/zinc/79/70/63/553797063.db2.gz FJVZKGZMTSWOFI-UHFFFAOYSA-N 0 0 606.469 6.417 50 30 KKEARN N#Cc1ccccc1C(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000025153023 553797176 /nfs/dbraw/zinc/79/71/76/553797176.db2.gz YMJUAHZPUBLUNC-UHFFFAOYSA-N 0 0 517.511 5.252 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CSc4nc5ccccc5s4)[C@H]3c3cccs3)C2)cc1 ZINC000097948877 553797393 /nfs/dbraw/zinc/79/73/93/553797393.db2.gz GSRZBVWUZNNIHW-MNAQKMTRSA-N 0 0 609.798 8.059 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2I)[C@H]1c1ccccc1 ZINC000097949505 553801997 /nfs/dbraw/zinc/80/19/97/553801997.db2.gz GFCJSGDWIPHTAE-SDHSZQHLSA-N 0 0 527.365 5.575 50 30 KKEARN CCCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949750 553802782 /nfs/dbraw/zinc/80/27/82/553802782.db2.gz CPJNFQWAFRMDGM-QHCPKHFHSA-N 0 0 521.489 7.624 50 30 KKEARN C=CCn1c(SCc2ccccc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000025165759 553804671 /nfs/dbraw/zinc/80/46/71/553804671.db2.gz XUKZAYABRXDFSF-UHFFFAOYSA-N 0 0 524.646 6.664 50 30 KKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000097950607 553804791 /nfs/dbraw/zinc/80/47/91/553804791.db2.gz FCVVSBPXGDHHPK-UHFFFAOYSA-N 0 0 509.771 6.588 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950760 553805528 /nfs/dbraw/zinc/80/55/28/553805528.db2.gz PFSGQJMYDUORRD-JOCHJYFZSA-N 0 0 589.817 8.607 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000097950769 553805543 /nfs/dbraw/zinc/80/55/43/553805543.db2.gz BVJOMLWPXGNWRU-XMMPIXPASA-N 0 0 551.068 8.494 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950755 553805547 /nfs/dbraw/zinc/80/55/47/553805547.db2.gz ZIPKTQLZRBQNEO-JOCHJYFZSA-N 0 0 601.910 8.639 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(N2C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950854 553805753 /nfs/dbraw/zinc/80/57/53/553805753.db2.gz SIDABRPOEPPGJA-VIFPVBQESA-N 0 0 597.225 6.006 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950911 553806001 /nfs/dbraw/zinc/80/60/01/553806001.db2.gz HEROXKGNKBSSNW-JOCHJYFZSA-N 0 0 541.004 8.016 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950953 553806267 /nfs/dbraw/zinc/80/62/67/553806267.db2.gz LIKKSVJLFSAIIK-JOCHJYFZSA-N 0 0 542.817 8.765 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000097950928 553806308 /nfs/dbraw/zinc/80/63/08/553806308.db2.gz KBZUQJHRQKIRCW-QHCPKHFHSA-N 0 0 598.037 7.794 50 30 KKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097951018 553806487 /nfs/dbraw/zinc/80/64/87/553806487.db2.gz KABLWPMURSIITJ-UHFFFAOYSA-N 0 0 543.323 6.954 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000097951073 553806984 /nfs/dbraw/zinc/80/69/84/553806984.db2.gz NPPOWWAVLLTMKO-LMSSTIIKSA-N 0 0 519.483 8.041 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000097951298 553808099 /nfs/dbraw/zinc/80/80/99/553808099.db2.gz NULHACVIKMGIIJ-DHIFEGFHSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097951708 553810817 /nfs/dbraw/zinc/81/08/17/553810817.db2.gz SOYAERNJCCXLDV-HKBQPEDESA-N 0 0 549.752 8.460 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097951707 553810869 /nfs/dbraw/zinc/81/08/69/553810869.db2.gz SOYAERNJCCXLDV-WJOKGBTCSA-N 0 0 549.752 8.460 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097951775 553811106 /nfs/dbraw/zinc/81/11/06/553811106.db2.gz DFUULQAMVNNRTH-XMMPIXPASA-N 0 0 533.049 7.039 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097951748 553811123 /nfs/dbraw/zinc/81/11/23/553811123.db2.gz YXSQHYAHRLRRQV-AREMUKBSSA-N 0 0 544.629 6.112 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097951807 553811425 /nfs/dbraw/zinc/81/14/25/553811425.db2.gz KQIFXGIMSLPUJU-XMMPIXPASA-N 0 0 535.021 6.367 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951819 553811505 /nfs/dbraw/zinc/81/15/05/553811505.db2.gz OCFAOIGISJGXAL-AREMUKBSSA-N 0 0 544.629 6.194 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951839 553811717 /nfs/dbraw/zinc/81/17/17/553811717.db2.gz HUYHSAPZWPPJMG-RUZDIDTESA-N 0 0 532.593 6.324 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097952208 553813821 /nfs/dbraw/zinc/81/38/21/553813821.db2.gz SZWFLTWEDIAWDR-QHCPKHFHSA-N 0 0 549.446 6.467 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952221 553814215 /nfs/dbraw/zinc/81/42/15/553814215.db2.gz PZACVEUFLPZCKS-VWLOTQADSA-N 0 0 530.602 5.667 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952279 553814323 /nfs/dbraw/zinc/81/43/23/553814323.db2.gz JVRUADABTKODOY-AREMUKBSSA-N 0 0 528.630 6.528 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952278 553814425 /nfs/dbraw/zinc/81/44/25/553814425.db2.gz DJMKUHYIKDHNGL-SANMLTNESA-N 0 0 528.630 6.493 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952275 553814493 /nfs/dbraw/zinc/81/44/93/553814493.db2.gz ARRMPBFHFSHIII-XMMPIXPASA-N 0 0 544.585 5.191 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097952299 553814720 /nfs/dbraw/zinc/81/47/20/553814720.db2.gz CESWPTXBPMSGPY-XMMPIXPASA-N 0 0 529.574 5.921 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097952300 553814822 /nfs/dbraw/zinc/81/48/22/553814822.db2.gz CESWPTXBPMSGPY-DEOSSOPVSA-N 0 0 529.574 5.921 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952440 553815710 /nfs/dbraw/zinc/81/57/10/553815710.db2.gz MMDZDWBKJUYCEM-QHCPKHFHSA-N 0 0 533.447 6.713 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097952491 553816268 /nfs/dbraw/zinc/81/62/68/553816268.db2.gz MJCPAUYBZBEOCZ-SSEXGKCCSA-N 0 0 533.628 5.814 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952558 553816631 /nfs/dbraw/zinc/81/66/31/553816631.db2.gz INUYJXGEODQJFB-HHHXNRCGSA-N 0 0 540.641 6.578 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952588 553816946 /nfs/dbraw/zinc/81/69/46/553816946.db2.gz DGQQUQDONUWWLS-AREMUKBSSA-N 0 0 526.614 6.215 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952596 553816965 /nfs/dbraw/zinc/81/69/65/553816965.db2.gz SRAUJXARLRYCNW-SANMLTNESA-N 0 0 542.613 5.970 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097952594 553817064 /nfs/dbraw/zinc/81/70/64/553817064.db2.gz CAKWCCGPPRAEBZ-VWLOTQADSA-N 0 0 526.416 6.106 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952591 553817067 /nfs/dbraw/zinc/81/70/67/553817067.db2.gz WUXWEPQGIRNUEO-SANMLTNESA-N 0 0 544.629 6.194 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952602 553817144 /nfs/dbraw/zinc/81/71/44/553817144.db2.gz XBQSTCWTMSZQDB-HHHXNRCGSA-N 0 0 524.529 5.854 50 30 KKEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952971 553818172 /nfs/dbraw/zinc/81/81/72/553818172.db2.gz HAZPITJVGYQKBU-HSZRJFAPSA-N 0 0 539.602 6.096 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097953004 553818425 /nfs/dbraw/zinc/81/84/25/553818425.db2.gz YEYAGTXSOGQJME-LJAQVGFWSA-N 0 0 543.616 5.466 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097953075 553819145 /nfs/dbraw/zinc/81/91/45/553819145.db2.gz RHWRTWVGDUFXGD-AREMUKBSSA-N 0 0 542.613 5.812 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097954017 553820603 /nfs/dbraw/zinc/82/06/03/553820603.db2.gz WMDAWCCLWSZCIF-ACSYHNTCSA-N 0 0 542.632 5.761 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097954064 553821015 /nfs/dbraw/zinc/82/10/15/553821015.db2.gz ZCZRDCYTIIOVLA-JRPXNJEYSA-N 0 0 541.644 6.222 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000026964034 553822300 /nfs/dbraw/zinc/82/23/00/553822300.db2.gz SJOWFYKOBZRUJQ-UHFFFAOYSA-N 0 0 507.970 5.252 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2ccc(Cl)cc2)C=C1C=Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000027496556 553826344 /nfs/dbraw/zinc/82/63/44/553826344.db2.gz MWBBEXOXWXMPHK-ZWBTVFMKSA-N 0 0 501.373 8.597 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955003 553827176 /nfs/dbraw/zinc/82/71/76/553827176.db2.gz MLVBCRBASZHZIA-PIIWDFAUSA-N 0 0 545.636 5.063 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955014 553827570 /nfs/dbraw/zinc/82/75/70/553827570.db2.gz PALGSGOSKGPQAV-JBEBIEQOSA-N 0 0 533.005 6.065 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2ccccc2)cc1OC ZINC000027522318 553828729 /nfs/dbraw/zinc/82/87/29/553828729.db2.gz KAFNBKMBCMHXNY-DXWCKFLSSA-N 0 0 503.624 5.215 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2CCc2ccccc2)cc1 ZINC000027522355 553828778 /nfs/dbraw/zinc/82/87/78/553828778.db2.gz XTQXOFNLRZTQIM-WEBDSESRSA-N 0 0 503.624 5.297 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522416 553829000 /nfs/dbraw/zinc/82/90/00/553829000.db2.gz KEAIYPXSFZTDGO-LKIAPMPTSA-N 0 0 517.607 5.032 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522518 553829325 /nfs/dbraw/zinc/82/93/25/553829325.db2.gz GPOCKFXZUIGMOS-DUKYEPHGSA-N 0 0 502.398 6.293 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955230 553829841 /nfs/dbraw/zinc/82/98/41/553829841.db2.gz REEXOHVOGRQKHE-AUSOSSAASA-N 0 0 648.737 7.389 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955256 553830127 /nfs/dbraw/zinc/83/01/27/553830127.db2.gz FNMAQXFMRKZTMM-BZQUYTCOSA-N 0 0 547.032 6.455 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097955579 553831508 /nfs/dbraw/zinc/83/15/08/553831508.db2.gz SBDGKARZIVDEJT-CHJDUVSTSA-N 0 0 549.627 5.454 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955603 553831524 /nfs/dbraw/zinc/83/15/24/553831524.db2.gz HINZALNEPYMKJS-YHAMSUFESA-N 0 0 542.613 5.810 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955668 553832769 /nfs/dbraw/zinc/83/27/69/553832769.db2.gz OZCGVPFPLKUTKR-MYUZEXMDSA-N 0 0 540.641 6.418 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955678 553832807 /nfs/dbraw/zinc/83/28/07/553832807.db2.gz JJLFDHGUIZXSBS-AKJBCIBTSA-N 0 0 542.613 5.728 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955679 553832876 /nfs/dbraw/zinc/83/28/76/553832876.db2.gz JJLFDHGUIZXSBS-DXPJPUQTSA-N 0 0 542.613 5.728 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955692 553832922 /nfs/dbraw/zinc/83/29/22/553832922.db2.gz LBSUXIAXGXSGIQ-BZQUYTCOSA-N 0 0 531.033 6.618 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000027546869 553832950 /nfs/dbraw/zinc/83/29/50/553832950.db2.gz CDBYNNPHLRBDIF-AFJIDDCJSA-N 0 0 512.581 5.843 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000027547052 553832971 /nfs/dbraw/zinc/83/29/71/553832971.db2.gz XJYVXSLJLMUDSF-WRONEBCDSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccs2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547526 553833010 /nfs/dbraw/zinc/83/30/10/553833010.db2.gz HZWQXRGJIAMJCW-WXTAPIANSA-N 0 0 508.565 6.767 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955709 553833140 /nfs/dbraw/zinc/83/31/40/553833140.db2.gz VZHSGBIUCMPMSO-YHAMSUFESA-N 0 0 542.613 5.815 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547874 553833240 /nfs/dbraw/zinc/83/32/40/553833240.db2.gz UPSLMWSDSMQJCT-KDYSTLNUSA-N 0 0 502.536 6.706 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547953 553833272 /nfs/dbraw/zinc/83/32/72/553833272.db2.gz XZGQWZDROAKDNV-CLOONOSVSA-N 0 0 508.565 6.767 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547957 553833277 /nfs/dbraw/zinc/83/32/77/553833277.db2.gz XZGQWZDROAKDNV-UQBPGWFLSA-N 0 0 508.565 6.767 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955784 553833910 /nfs/dbraw/zinc/83/39/10/553833910.db2.gz ZJDIFWPCSAKQJT-CRYYWNKWSA-N 0 0 556.640 6.124 50 30 KKEARN C=CCn1c(SCc2ccc(/C=C/c3ccccc3)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000097956105 553836035 /nfs/dbraw/zinc/83/60/35/553836035.db2.gz MHDNAYCKWZVETM-ISLYRVAYSA-N 0 0 536.704 8.809 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000097956070 553836068 /nfs/dbraw/zinc/83/60/68/553836068.db2.gz UMHXBUOKHIBJJM-PCKLGSBKSA-N 0 0 603.457 5.642 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956214 553836942 /nfs/dbraw/zinc/83/69/42/553836942.db2.gz BMOHUNAANDOMDA-WGDIFIGCSA-N 0 0 539.613 5.532 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956233 553836964 /nfs/dbraw/zinc/83/69/64/553836964.db2.gz HQUYXDKPWGFUHU-HFJWLAOPSA-N 0 0 524.598 5.828 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000027994389 553837015 /nfs/dbraw/zinc/83/70/15/553837015.db2.gz AWYCGUNODXQKAG-VPUSJEBWSA-N 0 0 517.025 5.300 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)c5ccc([N+](=O)[O-])cc5)n42)COC(C)(C)C3)cc1 ZINC000097956649 553840451 /nfs/dbraw/zinc/84/04/51/553840451.db2.gz TVANSQRYWRYCDT-UHFFFAOYSA-N 0 0 528.594 5.388 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097956816 553842333 /nfs/dbraw/zinc/84/23/33/553842333.db2.gz OJQVLTLBSLQJGJ-XMMPIXPASA-N 0 0 544.629 5.759 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1/N=C(\c1ccccc1)N1CCN(/C(=N/c2cc([N+](=O)[O-])ccc2C)c2ccccc2)CC1 ZINC000029491515 553845195 /nfs/dbraw/zinc/84/51/95/553845195.db2.gz KHJBQDAHVGQNPQ-FMWAKIAMSA-N 0 0 562.630 6.594 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C5CCCCC5)cc4)cc3)C2=N)S1 ZINC000097957763 553848162 /nfs/dbraw/zinc/84/81/62/553848162.db2.gz FSOQFGUVCHKIRA-JDWZPQOESA-N 0 0 572.775 8.172 50 30 KKEARN Cc1cc(OCCOc2c(Cl)cc(Cl)cc2C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl ZINC000097957803 553848362 /nfs/dbraw/zinc/84/83/62/553848362.db2.gz DNLSSXONZDYNMU-KCSSXMTESA-N 0 0 621.953 5.322 50 30 KKEARN CN1CCN(c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2[C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)CC1 ZINC000029747835 553848908 /nfs/dbraw/zinc/84/89/08/553848908.db2.gz FQUKFMFDNFEEMA-UMSFTDKQSA-N 0 0 594.760 5.561 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000097957877 553849016 /nfs/dbraw/zinc/84/90/16/553849016.db2.gz WUTZJFGYFUZXAR-WUEUAJJRSA-N 0 0 563.679 6.559 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2ccc(Cl)cc2Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000097958151 553851798 /nfs/dbraw/zinc/85/17/98/553851798.db2.gz BLHNJKRTYDZXMC-AMVVHIIESA-N 0 0 533.341 7.035 50 30 KKEARN COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1OCCOc1ccccc1 ZINC000097958488 553855107 /nfs/dbraw/zinc/85/51/07/553855107.db2.gz OOJFYSQJNTZSJK-RDRPBHBLSA-N 0 0 536.426 5.464 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2ccc(Cl)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000097958505 553855118 /nfs/dbraw/zinc/85/51/18/553855118.db2.gz RMZQARYADUBHLF-IBBHUPRXSA-N 0 0 554.967 7.030 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097958548 553855396 /nfs/dbraw/zinc/85/53/96/553855396.db2.gz LTQYNHQTYBAPNO-IOWWMNHBSA-N 0 0 580.150 7.468 50 30 KKEARN N#Cc1ccccc1Cn1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c2ccccc21 ZINC000097958812 553857920 /nfs/dbraw/zinc/85/79/20/553857920.db2.gz OAHTZKDMZSANPH-ZSNJKBEMSA-N 0 0 528.681 7.182 50 30 KKEARN Clc1cc(Cl)c(OCc2ccccc2Cl)c(C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000097959434 553863586 /nfs/dbraw/zinc/86/35/86/553863586.db2.gz JHTQUVBVUXWYRT-OKCVXOCRSA-N 0 0 545.902 6.662 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)SC1=S ZINC000097959435 553863657 /nfs/dbraw/zinc/86/36/57/553863657.db2.gz LVHRLPRISDDLJT-UYRXBGFRSA-N 0 0 554.509 5.311 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959682 553865464 /nfs/dbraw/zinc/86/54/64/553865464.db2.gz VAFDDLHZUOPMDC-FMGIYXPMSA-N 0 0 605.713 5.482 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097959696 553865472 /nfs/dbraw/zinc/86/54/72/553865472.db2.gz NWCVPXAEEFZWNC-JQDUWNPKSA-N 0 0 603.594 5.979 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959722 553865785 /nfs/dbraw/zinc/86/57/85/553865785.db2.gz ZQNAVXYMKZUIMF-YICFVICHSA-N 0 0 579.650 5.223 50 30 KKEARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000097959718 553865825 /nfs/dbraw/zinc/86/58/25/553865825.db2.gz WYJRZNMKEOWPRU-MRHLFUAJSA-N 0 0 556.006 6.296 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1F ZINC000097959836 553866357 /nfs/dbraw/zinc/86/63/57/553866357.db2.gz PFMHFMMSFYPXOH-GDLZYMKVSA-N 0 0 545.586 5.862 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccccc1C(N)=O ZINC000097959868 553866771 /nfs/dbraw/zinc/86/67/71/553866771.db2.gz UCVIDCVLMTYGPY-JXSYCYSGSA-N 0 0 628.729 6.077 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959861 553866784 /nfs/dbraw/zinc/86/67/84/553866784.db2.gz NXDAXDJNYMNPNI-JIYROHSKSA-N 0 0 657.664 7.534 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 ZINC000097959857 553866829 /nfs/dbraw/zinc/86/68/29/553866829.db2.gz IJBVAVWFAAZFOS-FLASPHMUSA-N 0 0 613.636 7.581 50 30 KKEARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000097959873 553866852 /nfs/dbraw/zinc/86/68/52/553866852.db2.gz JJQNCJKUAQLHDU-SZYVSPPHSA-N 0 0 675.783 5.288 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)S/C2=N\c2ccccc2)cc1 ZINC000097960100 553868275 /nfs/dbraw/zinc/86/82/75/553868275.db2.gz DRVMWLAPWCHFFU-RXLUXOEMSA-N 0 0 547.655 7.642 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(I)c3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000097960253 553869544 /nfs/dbraw/zinc/86/95/44/553869544.db2.gz WTOYDCFXZBAFDX-SQVRLAAPSA-N 0 0 603.457 5.642 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(OC)c3)S2)cc1 ZINC000097960446 553871724 /nfs/dbraw/zinc/87/17/24/553871724.db2.gz PVAVPECFKQLEOZ-WGOQTCKBSA-N 0 0 531.033 6.981 50 30 KKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)S2)cc1 ZINC000097960440 553871733 /nfs/dbraw/zinc/87/17/33/553871733.db2.gz BPVZWLVRDLFJCH-OEAKJJBVSA-N 0 0 527.415 6.458 50 30 KKEARN FC(F)(F)c1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(C(F)(F)F)c4)cc3)cc2)c1 ZINC000097960675 553873315 /nfs/dbraw/zinc/87/33/15/553873315.db2.gz XPHJOQRJYLMIAK-PKRYOZTKSA-N 0 0 512.453 9.018 50 30 KKEARN C=CCn1c(SCc2cc(=O)n3c4ccccc4sc3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000032707911 553873431 /nfs/dbraw/zinc/87/34/31/553873431.db2.gz OWORWECPEKFZOK-UHFFFAOYSA-N 0 0 500.436 5.953 50 30 KKEARN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Br)cc3C)c2-c2ccccc2)cc1 ZINC000097960953 553874374 /nfs/dbraw/zinc/87/43/74/553874374.db2.gz NDFGRPSEUJFSHE-PPOKSSTKSA-N 0 0 535.485 9.032 50 30 KKEARN C[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2ccccc2SCC#N)/C(=C/c2ccco2)C1 ZINC000032910934 553876096 /nfs/dbraw/zinc/87/60/96/553876096.db2.gz YMMOPFGBRSWVMR-WENBPLFZSA-N 0 0 523.614 6.362 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000032926497 553876381 /nfs/dbraw/zinc/87/63/81/553876381.db2.gz YKHRZZSWKIOUID-MIXAMLLLSA-N 0 0 525.617 6.176 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2[nH]cc(/C=N\NC(=S)Nc3cccc(Cl)c3C)c2c1 ZINC000032961201 553882320 /nfs/dbraw/zinc/88/23/20/553882320.db2.gz LWFLUZFOHBRIIK-YSMPRRRNSA-N 0 0 506.097 5.261 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000097962023 553882518 /nfs/dbraw/zinc/88/25/18/553882518.db2.gz XHHPQLSADYQUMK-LHJBTTMQSA-N 0 0 571.641 6.162 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962055 553882834 /nfs/dbraw/zinc/88/28/34/553882834.db2.gz SMMVTBPJYJFCAL-FRJOBGHKSA-N 0 0 573.609 6.140 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097962065 553882837 /nfs/dbraw/zinc/88/28/37/553882837.db2.gz ULGUCBOOIYZYPL-NNMHWGRNSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962061 553882864 /nfs/dbraw/zinc/88/28/64/553882864.db2.gz FIZXMQRGQFCXIY-DTUGYKJQSA-N 0 0 573.609 6.140 50 30 KKEARN O=C1/C(=C\c2ccc(-c3ccccc3)cc2)C(c2ccc(/N=C/c3ccc(-c4ccccc4)cc3)cc2)=NN1CCO ZINC000097962621 553884581 /nfs/dbraw/zinc/88/45/81/553884581.db2.gz TVKGFPAEJKVYGV-FLAMBUOZSA-N 0 0 547.658 7.393 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)cc2)C1 ZINC000097963470 553890536 /nfs/dbraw/zinc/89/05/36/553890536.db2.gz RHKHDMMOSUOURN-NHCUHLMSSA-N 0 0 548.734 5.097 50 30 KKEARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)c(OC)cc1OC)C[C@H](C(C)(C)C)CC2 ZINC000097964045 553895949 /nfs/dbraw/zinc/89/59/49/553895949.db2.gz JUTPJLDDPLWHNA-QOYIUKKDSA-N 0 0 571.139 7.590 50 30 KKEARN C=CCc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000097964128 553896522 /nfs/dbraw/zinc/89/65/22/553896522.db2.gz XTARORPXYRYCII-WHQPAHRZSA-N 0 0 546.870 7.677 50 30 KKEARN CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000097964188 553896564 /nfs/dbraw/zinc/89/65/64/553896564.db2.gz JJBHXXZJZQDYRZ-RYRBQSRMSA-N 0 0 533.650 6.048 50 30 KKEARN CCCCCCCCOc1ccc(/N=C2/c3cc(Br)ccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000097964875 553901238 /nfs/dbraw/zinc/90/12/38/553901238.db2.gz CWWHUCGBURBJGO-BLCKFSMSSA-N 0 0 537.473 7.995 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2ccc3c(c2)OCO3)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000097965412 553904494 /nfs/dbraw/zinc/90/44/94/553904494.db2.gz ZUSPAJOZNRBDPS-XAZZYMPDSA-N 0 0 564.531 6.105 50 30 KKEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000097965460 553904835 /nfs/dbraw/zinc/90/48/35/553904835.db2.gz CUDHJXVUZQCQIB-HDFSHUSISA-N 0 0 533.653 5.092 50 30 KKEARN CC[C@@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3OCc3ccccc3Cl)c2C(=O)NC2CCCCC2)C1 ZINC000097965625 553905483 /nfs/dbraw/zinc/90/54/83/553905483.db2.gz ODCPDBPRNIQKRN-QJTZLFFHSA-N 0 0 614.049 9.071 50 30 KKEARN CC(C)(c1ccc(Oc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1)c1ccc(Oc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000097965539 553905523 /nfs/dbraw/zinc/90/55/23/553905523.db2.gz BIFDCUHPFZLBRF-MHKBATPZSA-N 0 0 776.525 12.035 50 30 KKEARN O=S(=O)(N/N=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccc(Br)cc1 ZINC000097965703 553905776 /nfs/dbraw/zinc/90/57/76/553905776.db2.gz VCXZZJPHINSPLB-XODNFHPESA-N 0 0 536.373 5.783 50 30 KKEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000097966347 553908456 /nfs/dbraw/zinc/90/84/56/553908456.db2.gz IBMNRKBJTLEFIQ-IQZQLMGCSA-N 0 0 587.481 6.878 50 30 KKEARN CC1(C)C[C@H](n2c(=O)c3c(nc2N/N=C/c2ccc(Br)cc2)-c2ccccc2CC32CCCCC2)CCO1 ZINC000097966365 553908461 /nfs/dbraw/zinc/90/84/61/553908461.db2.gz ZOOFONQWZORLEP-RXELPWEMSA-N 0 0 575.551 7.007 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000097966743 553909929 /nfs/dbraw/zinc/90/99/29/553909929.db2.gz IKUGMHWMCTWTHB-SANMLTNESA-N 0 0 571.512 5.093 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033097106 553910549 /nfs/dbraw/zinc/91/05/49/553910549.db2.gz ADKQYOWDFFOQPO-DQQQEIHASA-N 0 0 503.067 7.856 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097966877 553911441 /nfs/dbraw/zinc/91/14/41/553911441.db2.gz HOEVMRPFEPATOV-GDLZYMKVSA-N 0 0 595.523 6.181 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097966931 553911891 /nfs/dbraw/zinc/91/18/91/553911891.db2.gz PCVRJMHWZSIMSM-JGCGQSQUSA-N 0 0 584.713 6.123 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000097966934 553911899 /nfs/dbraw/zinc/91/18/99/553911899.db2.gz YSXGXWWJIBTCAX-HHHXNRCGSA-N 0 0 582.678 6.607 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1OC ZINC000097966969 553912375 /nfs/dbraw/zinc/91/23/75/553912375.db2.gz OBPUFAPSYROPSV-GDLZYMKVSA-N 0 0 545.632 5.596 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967152 553914429 /nfs/dbraw/zinc/91/44/29/553914429.db2.gz XREWXWSKDPLTJJ-NDEPHWFRSA-N 0 0 561.631 5.215 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967204 553915320 /nfs/dbraw/zinc/91/53/20/553915320.db2.gz PFNXADBMZQSIJS-SLGOVJDISA-N 0 0 592.733 5.278 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097967224 553915338 /nfs/dbraw/zinc/91/53/38/553915338.db2.gz GMNSEKBCGPBUBL-SSEXGKCCSA-N 0 0 661.519 10.271 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967219 553915412 /nfs/dbraw/zinc/91/54/12/553915412.db2.gz NULXDRBPBRHLMK-WYOOIXGGSA-N 0 0 575.661 6.419 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967257 553915876 /nfs/dbraw/zinc/91/58/76/553915876.db2.gz DLBLCRDWBDTUGJ-IVCQMTBJSA-N 0 0 575.484 6.782 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967283 553916264 /nfs/dbraw/zinc/91/62/64/553916264.db2.gz VTOLIRNNZYXPDB-YRVHBCJASA-N 0 0 598.677 6.375 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967372 553917545 /nfs/dbraw/zinc/91/75/45/553917545.db2.gz QZGMFLBIMAGHDE-JYRCXFKTSA-N 0 0 586.666 6.209 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000097967459 553918854 /nfs/dbraw/zinc/91/88/54/553918854.db2.gz MQESVKOEYRUUEX-JGCGQSQUSA-N 0 0 579.778 8.469 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967476 553918931 /nfs/dbraw/zinc/91/89/31/553918931.db2.gz BHDWKOZIZODLID-GDJIYFAZSA-N 0 0 552.652 6.584 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000097967517 553919767 /nfs/dbraw/zinc/91/97/67/553919767.db2.gz CNEKSWZMLWGKAY-PMERELPUSA-N 0 0 572.617 10.053 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967552 553920136 /nfs/dbraw/zinc/92/01/36/553920136.db2.gz NTRUNIQHBOBSGA-HAWMADMCSA-N 0 0 558.612 5.516 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967551 553920241 /nfs/dbraw/zinc/92/02/41/553920241.db2.gz NTRUNIQHBOBSGA-QWXGXRTQSA-N 0 0 558.612 5.516 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967554 553920258 /nfs/dbraw/zinc/92/02/58/553920258.db2.gz NTRUNIQHBOBSGA-WZQKQDCOSA-N 0 0 558.612 5.516 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967583 553920680 /nfs/dbraw/zinc/92/06/80/553920680.db2.gz OZZFDJUTXAIBRU-QMTYFTJSSA-N 0 0 559.043 6.621 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967652 553921437 /nfs/dbraw/zinc/92/14/37/553921437.db2.gz JPNQZRSZEZYKBF-XRHLQHRESA-N 0 0 554.624 5.837 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967681 553921908 /nfs/dbraw/zinc/92/19/08/553921908.db2.gz SYYMIMMIEKLIHB-XBBWARJSSA-N 0 0 584.694 6.817 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967699 553921943 /nfs/dbraw/zinc/92/19/43/553921943.db2.gz ZQVMHQJFPSCQQG-CBZJRKILSA-N 0 0 586.666 6.045 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967708 553922247 /nfs/dbraw/zinc/92/22/47/553922247.db2.gz NBKQWHQSKVPCSI-SMSORMJASA-N 0 0 573.690 5.699 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1C ZINC000033352654 553922509 /nfs/dbraw/zinc/92/25/09/553922509.db2.gz FQTASWGNIZKFAU-NLRVBDNBSA-N 0 0 515.704 6.946 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967740 553922735 /nfs/dbraw/zinc/92/27/35/553922735.db2.gz OKRLTLJLJVLJQX-ADSBAMQRSA-N 0 0 633.166 7.880 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967742 553922842 /nfs/dbraw/zinc/92/28/42/553922842.db2.gz OKRLTLJLJVLJQX-QTEAWJPNSA-N 0 0 633.166 7.880 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967796 553922954 /nfs/dbraw/zinc/92/29/54/553922954.db2.gz XXUBZLYDLVEBPR-ADXZGYQBSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967788 553922983 /nfs/dbraw/zinc/92/29/83/553922983.db2.gz PYDWLZXQVPBKTC-JMQGSBJISA-N 0 0 583.666 5.931 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967817 553923527 /nfs/dbraw/zinc/92/35/27/553923527.db2.gz XQBAFDRHSSGQHK-PLTNMMHCSA-N 0 0 604.684 6.990 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967798 553923626 /nfs/dbraw/zinc/92/36/26/553923626.db2.gz XXUBZLYDLVEBPR-SONOPUAISA-N 0 0 584.694 6.980 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967844 553924027 /nfs/dbraw/zinc/92/40/27/553924027.db2.gz BZMSPPBTQPMMFS-WRHNGFHOSA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967848 553924071 /nfs/dbraw/zinc/92/40/71/553924071.db2.gz PJZQYUAPKYSNFC-JWIGPWBQSA-N 0 0 574.630 6.339 50 30 KKEARN FC(F)(F)C(Oc1nc(Nc2cccc3ccccc32)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000033353326 553924455 /nfs/dbraw/zinc/92/44/55/553924455.db2.gz SWQLWFWHKCPVAJ-UHFFFAOYSA-N 0 0 554.291 6.512 50 30 KKEARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000033353305 553924462 /nfs/dbraw/zinc/92/44/62/553924462.db2.gz NFGVFMZPHHYFDN-UHFFFAOYSA-N 0 0 629.135 7.980 50 30 KKEARN FC(F)(F)C(c1nc(N2CCCCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000033353325 553924504 /nfs/dbraw/zinc/92/45/04/553924504.db2.gz QEDMPDTYQUGUMK-UHFFFAOYSA-N 0 0 600.248 6.711 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967910 553924865 /nfs/dbraw/zinc/92/48/65/553924865.db2.gz WCSDKMVKTIVPAP-WZQKQDCOSA-N 0 0 558.612 5.516 50 30 KKEARN CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000033353686 553926496 /nfs/dbraw/zinc/92/64/96/553926496.db2.gz FTROQAPDQOXVAQ-NVDYORLRSA-N 0 0 546.649 5.607 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000033353773 553926709 /nfs/dbraw/zinc/92/67/09/553926709.db2.gz BLGRVSHUXLXVHX-CGKQSPDFSA-N 0 0 572.658 6.040 50 30 KKEARN O=C(O/N=C1/c2ccccc2/C(=N/OC(=O)c2ccc(Cl)cc2)C1c1ccccc1)c1ccc(Cl)cc1 ZINC000033354001 553927845 /nfs/dbraw/zinc/92/78/45/553927845.db2.gz JLVGTXHTKIQMLT-VBZQPFBYSA-N 0 0 529.379 6.913 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(I)cc1 ZINC000033353945 553927902 /nfs/dbraw/zinc/92/79/02/553927902.db2.gz CEOGWBKDBUZTEN-SSEXGKCCSA-N 0 0 664.068 10.004 50 30 KKEARN CCCCCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCCCCCCCCC)cc3)CC2)cc1 ZINC000033354021 553928172 /nfs/dbraw/zinc/92/81/72/553928172.db2.gz VCTHCDKEYFOEON-UHFFFAOYSA-N 0 0 578.838 8.544 50 30 KKEARN O=C([C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033354081 553928411 /nfs/dbraw/zinc/92/84/11/553928411.db2.gz LJLRZDJALUWJLK-DXWCKFLSSA-N 0 0 564.067 5.119 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]4c2ccco2)cc1 ZINC000097968149 553928421 /nfs/dbraw/zinc/92/84/21/553928421.db2.gz AKUNBQLBGDDJON-GRDDVLMNSA-N 0 0 567.993 5.710 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CCC4)[C@H]3c3ccc(C)o3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000033354201 553928666 /nfs/dbraw/zinc/92/86/66/553928666.db2.gz XVRSLDQEWCQUQH-HEVIKAOCSA-N 0 0 628.722 5.992 50 30 KKEARN O=C1c2ccccc2-c2onc3c2c1c(Oc1c(F)c(F)c(F)c(F)c1F)cc3Oc1c(F)c(F)c(F)c(F)c1F ZINC000033354179 553928711 /nfs/dbraw/zinc/92/87/11/553928711.db2.gz QPKVYSBFIUPYKO-UHFFFAOYSA-N 0 0 585.309 8.015 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000033354368 553929484 /nfs/dbraw/zinc/92/94/84/553929484.db2.gz GWYDRAYQBVUFQH-UXHLAJHPSA-N 0 0 541.516 5.496 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2Cl)nc2c(c1-c1cccs1)CCC2=Cc1cccs1 ZINC000033354455 553929693 /nfs/dbraw/zinc/92/96/93/553929693.db2.gz AYECNNRNIVXRHA-RVDMUPIBSA-N 0 0 539.534 8.512 50 30 KKEARN COc1ccccc1[C@H]1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(CO/N=C/c4ccccc4)nc3c21 ZINC000097968276 553929887 /nfs/dbraw/zinc/92/98/87/553929887.db2.gz QRZQEEPXQKEHAL-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN COc1ccccc1[C@@H]1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(CO/N=C/c4ccccc4)nc3c21 ZINC000097968275 553929981 /nfs/dbraw/zinc/92/99/81/553929981.db2.gz QRZQEEPXQKEHAL-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)S/C(=N\c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2 ZINC000033354605 553930244 /nfs/dbraw/zinc/93/02/44/553930244.db2.gz YHUMTSDQSOCKGO-GLYXPOMVSA-N 0 0 568.582 6.671 50 30 KKEARN O=C(Nc1cccc2c(NC(=O)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF)cccc12)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354524 553930259 /nfs/dbraw/zinc/93/02/59/553930259.db2.gz SLOUQSLMEIQXRE-KBPBESRZSA-N 0 0 674.332 8.279 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(C)cc2)cc1 ZINC000097968314 553930372 /nfs/dbraw/zinc/93/03/72/553930372.db2.gz ZFAZBHOJQPPGGD-AXPYDQDRSA-N 0 0 557.614 5.772 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]4c2ccccc2)cc1 ZINC000097968308 553930381 /nfs/dbraw/zinc/93/03/81/553930381.db2.gz RGUSWXAQMVIDPJ-NPJNASAPSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097968440 553932577 /nfs/dbraw/zinc/93/25/77/553932577.db2.gz GHRDZIWFHFQRRX-GDLZYMKVSA-N 0 0 575.662 5.291 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Nc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968581 553933482 /nfs/dbraw/zinc/93/34/82/553933482.db2.gz CZGIWVIMDYDUEV-NUVGPLTDSA-N 0 0 598.937 5.810 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CCC2 ZINC000033355329 553934131 /nfs/dbraw/zinc/93/41/31/553934131.db2.gz SOQSHRXVYINONQ-HXUWFJFHSA-N 0 0 527.033 7.057 50 30 KKEARN N#CC1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000033355343 553934176 /nfs/dbraw/zinc/93/41/76/553934176.db2.gz PKRFHEJESMAXTQ-MYDMSWGXSA-N 0 0 572.577 6.195 50 30 KKEARN N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097968956 553935200 /nfs/dbraw/zinc/93/52/00/553935200.db2.gz FFUQWZSTLTUJPU-MVLYKHDQSA-N 0 0 592.891 6.910 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969039 553935921 /nfs/dbraw/zinc/93/59/21/553935921.db2.gz JLYLVICPDVDMBV-UGDMGKLASA-N 0 0 555.671 6.265 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969055 553936198 /nfs/dbraw/zinc/93/61/98/553936198.db2.gz WOLAHNOERCKQSL-PMERELPUSA-N 0 0 627.620 9.417 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000097969052 553936264 /nfs/dbraw/zinc/93/62/64/553936264.db2.gz WXPSUKSXZMXJDP-SANMLTNESA-N 0 0 561.506 5.637 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097969151 553936903 /nfs/dbraw/zinc/93/69/03/553936903.db2.gz JWGUPNCLQCIZSQ-NDEPHWFRSA-N 0 0 594.689 6.773 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969126 553937058 /nfs/dbraw/zinc/93/70/58/553937058.db2.gz BHNNELALQGQAAI-AKJBCIBTSA-N 0 0 559.087 7.354 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969132 553937067 /nfs/dbraw/zinc/93/70/67/553937067.db2.gz RTZVUVRUMXQEIF-SSEXGKCCSA-N 0 0 630.719 6.827 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969133 553937118 /nfs/dbraw/zinc/93/71/18/553937118.db2.gz RTZVUVRUMXQEIF-PMERELPUSA-N 0 0 630.719 6.827 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969365 553940128 /nfs/dbraw/zinc/94/01/28/553940128.db2.gz ZCAPDYOJLPDYGN-WRGVRERRSA-N 0 0 635.767 7.489 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969343 553940242 /nfs/dbraw/zinc/94/02/42/553940242.db2.gz DNFMFETXZLXHDJ-HMILPKGGSA-N 0 0 554.668 6.808 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097969354 553940257 /nfs/dbraw/zinc/94/02/57/553940257.db2.gz NUKNNXZQBCGWFU-MUUNZHRXSA-N 0 0 552.587 5.347 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097969401 553940418 /nfs/dbraw/zinc/94/04/18/553940418.db2.gz MEHLUCKNHPBSLM-WKRVVKTRSA-N 0 0 555.671 6.409 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097969404 553940492 /nfs/dbraw/zinc/94/04/92/553940492.db2.gz MEHLUCKNHPBSLM-UVDDSOTQSA-N 0 0 555.671 6.409 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097969428 553940762 /nfs/dbraw/zinc/94/07/62/553940762.db2.gz WDJBJSBOOZICDU-HKBQPEDESA-N 0 0 570.686 5.273 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000097969504 553941544 /nfs/dbraw/zinc/94/15/44/553941544.db2.gz OXSFVBOQRDKSIN-QMVLRNAASA-N 0 0 559.791 9.154 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000097969476 553941595 /nfs/dbraw/zinc/94/15/95/553941595.db2.gz WMPSTARILJXKMD-AREMUKBSSA-N 0 0 550.449 5.951 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969519 553941862 /nfs/dbraw/zinc/94/18/62/553941862.db2.gz UWPKKUBQFYZDIS-RBBQXQBVSA-N 0 0 612.723 5.288 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097969531 553941870 /nfs/dbraw/zinc/94/18/70/553941870.db2.gz FOQOCPKLYJPGJE-UVDDSOTQSA-N 0 0 555.671 6.612 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000097969507 553941960 /nfs/dbraw/zinc/94/19/60/553941960.db2.gz SSVGULFEHGLLAO-LMAJSVEBSA-N 0 0 541.772 6.127 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000097969568 553942623 /nfs/dbraw/zinc/94/26/23/553942623.db2.gz CSVMEZQQRCCXHE-CRIKIIGQSA-N 0 0 574.762 9.054 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969614 553942886 /nfs/dbraw/zinc/94/28/86/553942886.db2.gz ASNGCVFDXRVYLD-DNOBIOAJSA-N 0 0 616.692 5.864 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969660 553943321 /nfs/dbraw/zinc/94/33/21/553943321.db2.gz SKXFWEJXRCDMKE-DNOBIOAJSA-N 0 0 620.724 6.168 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097969662 553943461 /nfs/dbraw/zinc/94/34/61/553943461.db2.gz SDXDZPKDVSRHBZ-AREMUKBSSA-N 0 0 556.640 6.157 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(Cl)c3Cl)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000033356703 553943585 /nfs/dbraw/zinc/94/35/85/553943585.db2.gz BIDFQCDQZGOHQR-UHFFFAOYSA-N 0 0 552.498 7.670 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969671 553943730 /nfs/dbraw/zinc/94/37/30/553943730.db2.gz RDABOWVQNHDTEO-NSYGIPOTSA-N 0 0 576.671 5.913 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969668 553943737 /nfs/dbraw/zinc/94/37/37/553943737.db2.gz RDABOWVQNHDTEO-SSOJOUAXSA-N 0 0 576.671 5.913 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969790 553944954 /nfs/dbraw/zinc/94/49/54/553944954.db2.gz FHRFIGQRYJQXFE-CHAGWJKLSA-N 0 0 602.665 5.827 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969816 553945545 /nfs/dbraw/zinc/94/55/45/553945545.db2.gz XOHKPPDYFSDTPN-KEEVHDRGSA-N 0 0 598.721 7.207 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969843 553945824 /nfs/dbraw/zinc/94/58/24/553945824.db2.gz WKCNMFXHARNBTE-LMKMVOKYSA-N 0 0 592.670 5.532 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969920 553946800 /nfs/dbraw/zinc/94/68/00/553946800.db2.gz DVIDBKNAHDZCTD-VKGTZQKMSA-N 0 0 632.735 6.478 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969916 553946881 /nfs/dbraw/zinc/94/68/81/553946881.db2.gz YTFPWTVVRGOFTG-WINIVTDRSA-N 0 0 602.709 6.470 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969975 553947683 /nfs/dbraw/zinc/94/76/83/553947683.db2.gz HPIFBDUJHKNDTA-QWXGXRTQSA-N 0 0 558.612 5.428 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969973 553947732 /nfs/dbraw/zinc/94/77/32/553947732.db2.gz HPIFBDUJHKNDTA-HAWMADMCSA-N 0 0 558.612 5.428 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097969992 553948183 /nfs/dbraw/zinc/94/81/83/553948183.db2.gz ULTWMGQZVXQPPZ-HKBQPEDESA-N 0 0 578.621 5.609 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970048 553948371 /nfs/dbraw/zinc/94/83/71/553948371.db2.gz MIZNNHGNNNFTBP-WENCNXQZSA-N 0 0 598.721 7.370 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970050 553948555 /nfs/dbraw/zinc/94/85/55/553948555.db2.gz MIZNNHGNNNFTBP-PRAQEBQASA-N 0 0 598.721 7.370 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970027 553948664 /nfs/dbraw/zinc/94/86/64/553948664.db2.gz HDDYFAXHNWBCIC-CPJLOUKISA-N 0 0 575.484 6.782 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970108 553949478 /nfs/dbraw/zinc/94/94/78/553949478.db2.gz BWIBUNQXSIOJBN-NDEPHWFRSA-N 0 0 586.666 6.428 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970135 553950169 /nfs/dbraw/zinc/95/01/69/553950169.db2.gz HSCWZHWQCOIECU-SOKVYYICSA-N 0 0 575.086 7.235 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970156 553950466 /nfs/dbraw/zinc/95/04/66/553950466.db2.gz IMYGHNOCBHLWCD-YHAMSUFESA-N 0 0 576.671 5.948 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097970176 553950484 /nfs/dbraw/zinc/95/04/84/553950484.db2.gz MVPVQGWSAHCHKN-SSEXGKCCSA-N 0 0 557.643 5.856 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)cc1OC ZINC000097970175 553950521 /nfs/dbraw/zinc/95/05/21/553950521.db2.gz MWZXVQUNXAKKIH-RRBVFYHVSA-N 0 0 567.379 5.491 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccs2)cc1 ZINC000033357737 553950713 /nfs/dbraw/zinc/95/07/13/553950713.db2.gz FIHHWRFCBVPIIH-ADXZGYQBSA-N 0 0 530.646 5.774 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970270 553951725 /nfs/dbraw/zinc/95/17/25/553951725.db2.gz FXEUSOROWBRCKS-FYSMJZIKSA-N 0 0 562.644 5.523 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970257 553951750 /nfs/dbraw/zinc/95/17/50/553951750.db2.gz HOBSWOPKKAONSB-KWMCUTETSA-N 0 0 568.695 7.099 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970312 553952379 /nfs/dbraw/zinc/95/23/79/553952379.db2.gz YIWDSJGZLXQJHD-DWXRJYCRSA-N 0 0 590.698 6.304 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970329 553952478 /nfs/dbraw/zinc/95/24/78/553952478.db2.gz HBUNGEMVEMRKAO-QMTYFTJSSA-N 0 0 572.639 5.737 50 30 KKEARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)c3N2)cc1 ZINC000033358089 553952798 /nfs/dbraw/zinc/95/27/98/553952798.db2.gz RDZSOQQAFHEZKE-HYVJGQCMSA-N 0 0 541.643 7.188 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970344 553952805 /nfs/dbraw/zinc/95/28/05/553952805.db2.gz YGFVAOPRVQZHCY-CBZJRKILSA-N 0 0 554.668 6.709 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970337 553952888 /nfs/dbraw/zinc/95/28/88/553952888.db2.gz QZVFJGIRBUQFFQ-KWMCUTETSA-N 0 0 554.668 6.925 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970355 553952917 /nfs/dbraw/zinc/95/29/17/553952917.db2.gz FEDSZVVEADCJKH-MYUZEXMDSA-N 0 0 601.725 7.199 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970416 553953808 /nfs/dbraw/zinc/95/38/08/553953808.db2.gz UYTIXVIHQMTKSH-DNOBIOAJSA-N 0 0 618.180 7.714 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000033358271 553954196 /nfs/dbraw/zinc/95/41/96/553954196.db2.gz WDPILYSGVHPNHE-MYUZEXMDSA-N 0 0 620.993 6.778 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970473 553954549 /nfs/dbraw/zinc/95/45/49/553954549.db2.gz IBOQZXDXKMPDEA-XRHLQHRESA-N 0 0 618.180 7.714 50 30 KKEARN CCOc1ccc2nc(Sc3ccc([C@H]4Nc5ccc6ccccc6c5C5=C4C(=O)CC(C)(C)C5)o3)sc2c1 ZINC000033358391 553955016 /nfs/dbraw/zinc/95/50/16/553955016.db2.gz MLIULYNMOBXWNK-SSEXGKCCSA-N 0 0 552.721 8.902 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000033358395 553955029 /nfs/dbraw/zinc/95/50/29/553955029.db2.gz DJXROCSDUAQKDR-BDYUSTAISA-N 0 0 554.440 6.711 50 30 KKEARN CCOc1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)cc1 ZINC000097970546 553955462 /nfs/dbraw/zinc/95/54/62/553955462.db2.gz HURMDQPIDIIEFY-CORGXWODSA-N 0 0 568.054 6.002 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000097970532 553955496 /nfs/dbraw/zinc/95/54/96/553955496.db2.gz AUVFAPRQAWUISR-HKBQPEDESA-N 0 0 578.750 8.663 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970519 553955625 /nfs/dbraw/zinc/95/56/25/553955625.db2.gz ZOZJOXPVHOSPKB-AFJIDDCJSA-N 0 0 622.699 6.480 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000033358444 553955719 /nfs/dbraw/zinc/95/57/19/553955719.db2.gz IPXIYQHZJULSQO-NRUKRWIHSA-N 0 0 568.595 7.729 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970550 553955878 /nfs/dbraw/zinc/95/58/78/553955878.db2.gz MDRZDNAPJYGKIQ-LJAQVGFWSA-N 0 0 600.693 6.655 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970556 553955904 /nfs/dbraw/zinc/95/59/04/553955904.db2.gz IYRVJJSGINNTQC-WENCNXQZSA-N 0 0 598.721 7.145 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970571 553956065 /nfs/dbraw/zinc/95/60/65/553956065.db2.gz TUCLUXDKWNPQBZ-JMQGSBJISA-N 0 0 589.113 7.481 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970643 553956761 /nfs/dbraw/zinc/95/67/61/553956761.db2.gz NHIXYHRVZMFILZ-SLQAJWMNSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970622 553956787 /nfs/dbraw/zinc/95/67/87/553956787.db2.gz GUKXCQXNWWDRCV-SANMLTNESA-N 0 0 560.628 5.812 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097970709 553957788 /nfs/dbraw/zinc/95/77/88/553957788.db2.gz UKCYWJITAHIHBH-LJAQVGFWSA-N 0 0 558.631 5.455 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097970708 553957868 /nfs/dbraw/zinc/95/78/68/553957868.db2.gz UKCYWJITAHIHBH-GDLZYMKVSA-N 0 0 558.631 5.455 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970731 553957939 /nfs/dbraw/zinc/95/79/39/553957939.db2.gz SOYMKGATFRQZAA-JRPXNJEYSA-N 0 0 556.659 6.007 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1cccc(F)c1 ZINC000033422446 553959605 /nfs/dbraw/zinc/95/96/05/553959605.db2.gz SYVGQZFXJQYWLX-UHFFFAOYSA-N 0 0 509.578 5.036 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097970960 553959764 /nfs/dbraw/zinc/95/97/64/553959764.db2.gz MXPAMLPHAJMDDF-UGDMGKLASA-N 0 0 555.671 6.409 50 30 KKEARN COc1cc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)ccc1O ZINC000097970997 553960266 /nfs/dbraw/zinc/96/02/66/553960266.db2.gz OGOFNGRFCNQWFT-PTCDBTICSA-N 0 0 553.352 5.188 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000097971031 553960515 /nfs/dbraw/zinc/96/05/15/553960515.db2.gz WODWWEJGNSZMCJ-YTTGMZPUSA-N 0 0 582.741 6.172 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 ZINC000097971026 553960574 /nfs/dbraw/zinc/96/05/74/553960574.db2.gz MYPKPAOOFVQHJY-HKBQPEDESA-N 0 0 596.650 9.817 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)cc1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000097971138 553960831 /nfs/dbraw/zinc/96/08/31/553960831.db2.gz WOWLQGRMBZJBQX-BSKLEVBYSA-N 0 0 536.838 5.106 50 30 KKEARN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=O)cc1 ZINC000097971141 553960858 /nfs/dbraw/zinc/96/08/58/553960858.db2.gz ATUOLDKFPPJSKM-LZCSZACGSA-N 0 0 522.413 5.006 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H](O)COc1ccccc1-c1ccccc1 ZINC000033579845 553963183 /nfs/dbraw/zinc/96/31/83/553963183.db2.gz UBICWCMSBMFDNO-HHHXNRCGSA-N 0 0 514.650 7.486 50 30 KKEARN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(OC)ccc3c2occ(-c2ccc(OC)cc2)c3=O)cc1OC ZINC000097971912 553963878 /nfs/dbraw/zinc/96/38/78/553963878.db2.gz JREZXKAISWBVIZ-DEOSSOPVSA-N 0 0 544.600 6.136 50 30 biogenic KKEARN O=C[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097976200 553968582 /nfs/dbraw/zinc/96/85/82/553968582.db2.gz FEFWRXFCWGLFQX-SSEXGKCCSA-N 0 0 569.726 7.818 50 30 KKEARN COc1ccc(-c2ccc(OC(=O)[C@](F)(C(F)(F)F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000097977030 553973604 /nfs/dbraw/zinc/97/36/04/553973604.db2.gz GNPPCYCTGOKFDU-HNNXBMFYSA-N 0 0 607.294 6.834 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097977046 553973731 /nfs/dbraw/zinc/97/37/31/553973731.db2.gz CFUIZLRYCPAVQM-QGZVFWFLSA-N 0 0 531.775 6.689 50 30 KKEARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)n2-c2ccc(Br)cc2)cc1 ZINC000097979103 553976402 /nfs/dbraw/zinc/97/64/02/553976402.db2.gz QWIIOAVUSCGANU-UHFFFAOYSA-N 0 0 695.709 6.976 50 30 KKEARN O=C1/C(=C\c2ccc(Cl)cc2Cl)CN(Cc2ccccc2)C/C1=C/c1ccc(Cl)cc1Cl ZINC000033922070 553976491 /nfs/dbraw/zinc/97/64/91/553976491.db2.gz OWZHBEXAKKWMCT-JTMCVSSMSA-N 0 0 503.256 7.852 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000033930627 553977069 /nfs/dbraw/zinc/97/70/69/553977069.db2.gz ORBZVUZXLMPVFM-QHBODZGPSA-N 0 0 535.637 5.424 50 30 KKEARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)cc1 ZINC000097979329 553978460 /nfs/dbraw/zinc/97/84/60/553978460.db2.gz ZNWDOKTWICARTK-KVACCUTFSA-N 0 0 551.521 5.287 50 30 KKEARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)c1C ZINC000097979372 553978777 /nfs/dbraw/zinc/97/87/77/553978777.db2.gz HRYRJNAWAKICLK-UHFFFAOYSA-N 0 0 548.665 5.093 50 30 KKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCCC4)c(C)c1 ZINC000097979485 553979760 /nfs/dbraw/zinc/97/97/60/553979760.db2.gz CYOSWUBOSFGGOS-UHFFFAOYSA-N 0 0 649.864 5.924 50 30 KKEARN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979490 553979999 /nfs/dbraw/zinc/97/99/99/553979999.db2.gz UVCJCKAXDSLKBS-UHFFFAOYSA-N 0 0 610.161 5.329 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000034105932 553980568 /nfs/dbraw/zinc/98/05/68/553980568.db2.gz JRCPWHCQNCWTHH-NHFJDJAPSA-N 0 0 523.683 6.548 50 30 KKEARN COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc(OC)c1OC ZINC000097979735 553981636 /nfs/dbraw/zinc/98/16/36/553981636.db2.gz HKFQFEUUKOBUAU-PDGQHHTCSA-N 0 0 555.612 5.476 50 30 KKEARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)C/C2=C\c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000097979883 553983227 /nfs/dbraw/zinc/98/32/27/553983227.db2.gz YQKOIRKFCOKMIQ-GUTDPONBSA-N 0 0 584.160 7.925 50 30 KKEARN C=CCN(C(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccccc2)c1Cl)c1nc(-c2ccccc2)cs1 ZINC000097980100 553985212 /nfs/dbraw/zinc/98/52/12/553985212.db2.gz NVHQDLAVUDKDNN-CCEZHUSRSA-N 0 0 533.053 5.792 50 30 KKEARN O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)ccc1Cl)c1cccs1 ZINC000097980419 553988389 /nfs/dbraw/zinc/98/83/89/553988389.db2.gz ISKDAVDIYFMCCC-UHFFFAOYSA-N 0 0 531.059 5.157 50 30 KKEARN O=C(C=Cc1ccc(Br)cc1)C1=C(C=Cc2ccc(Br)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000097981178 553992330 /nfs/dbraw/zinc/99/23/30/553992330.db2.gz DAJRGIOELKERQR-VBHSBCLASA-N 0 0 564.277 6.816 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC000034702164 553993163 /nfs/dbraw/zinc/99/31/63/553993163.db2.gz HZHNMDFCHZOIJT-SANMLTNESA-N 0 0 523.511 7.628 50 30 KKEARN CCN1C/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)C1 ZINC000097981395 553993516 /nfs/dbraw/zinc/99/35/16/553993516.db2.gz KQBKOJMFTMMUPM-CHQRTDLRSA-N 0 0 548.507 6.957 50 30 KKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000097981625 553995775 /nfs/dbraw/zinc/99/57/75/553995775.db2.gz NMMIAUNNTAVOLH-RNIAWFEPSA-N 0 0 660.858 6.608 50 30 KKEARN CCCCCCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000097983000 554006853 /nfs/dbraw/zinc/00/68/53/554006853.db2.gz DCTLDEHACDPGBW-UHFFFAOYSA-N 0 0 530.815 9.558 50 30 KKEARN CCCCCC#CC#CCCCCCCCC(=O)Oc1ccc(OC(=O)CCCCCCCC#CC#CCCCCC)cc1 ZINC000097982968 554006933 /nfs/dbraw/zinc/00/69/33/554006933.db2.gz YWEYMFGGGNWCPC-UHFFFAOYSA-N 0 0 598.868 10.133 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000097983030 554007151 /nfs/dbraw/zinc/00/71/51/554007151.db2.gz FYUFOLUKJNYOOV-MHZLTWQESA-N 0 0 593.149 9.664 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000097983051 554007234 /nfs/dbraw/zinc/00/72/34/554007234.db2.gz BAYNLLSNFONNNG-RUZDIDTESA-N 0 0 633.092 10.066 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097983056 554007429 /nfs/dbraw/zinc/00/74/29/554007429.db2.gz PZFJLZJTVCFWOT-VWLOTQADSA-N 0 0 610.092 8.955 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097983059 554007432 /nfs/dbraw/zinc/00/74/32/554007432.db2.gz XDNBEBAJTIODRH-VWLOTQADSA-N 0 0 631.898 9.777 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)CC12CC3CC(C1)CC(CC(=O)/C=C1/N(C)c4ccccc4C1(C)C)(C3)C2 ZINC000097983262 554008224 /nfs/dbraw/zinc/00/82/24/554008224.db2.gz QFUBXVVQTYOOEI-CQFHKPFHSA-N 0 0 562.798 8.114 50 30 KKEARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)CC1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813276 554011000 /nfs/dbraw/zinc/01/10/00/554011000.db2.gz VTBHHFRYSJZNTQ-UHFFFAOYSA-N 0 0 506.484 5.228 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1-c1ccc(OC)c(OC)c1 ZINC000097985320 554022807 /nfs/dbraw/zinc/02/28/07/554022807.db2.gz NWSZUWFRRMFMID-UHFFFAOYSA-N 0 0 506.775 9.982 50 30 KKEARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc12 ZINC000034914190 554029925 /nfs/dbraw/zinc/02/99/25/554029925.db2.gz XZHAMZBFUACTEV-ZDUSSCGKSA-N 0 0 508.600 5.388 50 30 KKEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)o1 ZINC000097993334 554031283 /nfs/dbraw/zinc/03/12/83/554031283.db2.gz SYAWEXYXYFHSBB-UHFFFAOYSA-N 0 0 533.075 5.485 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(OCCCCCCCCCC)cc3)CC2)cc1 ZINC000097995858 554038148 /nfs/dbraw/zinc/03/81/48/554038148.db2.gz QAXSINLUKKUZEP-UHFFFAOYSA-N 0 0 606.892 9.324 50 30 KKEARN CCCCCCCCCCCCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCCCCCCCCCC ZINC000097996979 554039272 /nfs/dbraw/zinc/03/92/72/554039272.db2.gz PMEVUVSBWRIQCE-UHFFFAOYSA-N 0 0 572.922 8.085 50 30 biogenic KKEARN CCOC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1/N=C\c1cc(OC)c(OC)c(OC)c1 ZINC000097997081 554039421 /nfs/dbraw/zinc/03/94/21/554039421.db2.gz ZITIMMJZBFALIZ-YEDDFTDXSA-N 0 0 541.442 5.468 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC(C)=O)c3)C(=O)O2)cc1 ZINC000097997742 554040259 /nfs/dbraw/zinc/04/02/59/554040259.db2.gz NXXYMKDGUPGQLH-XHPQRKPJSA-N 0 0 521.610 6.401 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000097999654 554044990 /nfs/dbraw/zinc/04/49/90/554044990.db2.gz WOGUDUCWUZWKQH-GJBXTBEHSA-N 0 0 593.079 7.350 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000035369299 554044985 /nfs/dbraw/zinc/04/49/85/554044985.db2.gz BCVPMQSGIUGYGQ-PAXQOXJBSA-N 0 0 513.391 5.508 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999771 554045922 /nfs/dbraw/zinc/04/59/22/554045922.db2.gz LGMMQDNXRHFURG-UNHQYKRWSA-N 0 0 663.258 10.107 50 30 KKEARN Cc1c(C2=CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000035406055 554049314 /nfs/dbraw/zinc/04/93/14/554049314.db2.gz SIXGZYJNQILBGE-UHFFFAOYSA-N 0 0 502.039 6.001 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000098000322 554050305 /nfs/dbraw/zinc/05/03/05/554050305.db2.gz MVMGPZLMICBGAO-SSEXGKCCSA-N 0 0 559.839 9.827 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CCCCC)cc2)cc1 ZINC000098001258 554052228 /nfs/dbraw/zinc/05/22/28/554052228.db2.gz FUVMQAXYZUMMSM-UHFFFAOYSA-N 0 0 507.719 7.718 50 30 biogenic KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(C(C)(C)C)cc4)sc3c2)cc1 ZINC000098002665 554053861 /nfs/dbraw/zinc/05/38/61/554053861.db2.gz NDYAOBJEODQECH-UHFFFAOYSA-N 0 0 588.883 10.658 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)sc3c2)cc1 ZINC000098002672 554053980 /nfs/dbraw/zinc/05/39/80/554053980.db2.gz MJJWDJOQDGQSFY-UHFFFAOYSA-N 0 0 620.797 8.707 50 30 KKEARN CC(C)Cc1ccc(C#N)c(SCC(=O)c2ccc(-c3ccc(C(=O)CSc4nc(CC(C)C)ccc4C#N)cc3)cc2)n1 ZINC000098002717 554054280 /nfs/dbraw/zinc/05/42/80/554054280.db2.gz BGFDMIRQRIHSBL-UHFFFAOYSA-N 0 0 618.828 8.234 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000098003695 554056008 /nfs/dbraw/zinc/05/60/08/554056008.db2.gz NEQHEVFVTKQCLB-BPJXYHRLSA-N 0 0 640.689 6.546 50 30 KKEARN COc1cc(S(=O)(=O)O[C@@]2(c3ccc(C(F)(F)F)cc3)Nc3ccccc3N2S(=O)(=O)c2ccc(Cl)c(OC)c2)ccc1Cl ZINC000098005063 554056517 /nfs/dbraw/zinc/05/65/17/554056517.db2.gz LXLBGMZSUBWFJD-NDEPHWFRSA-N 0 0 689.517 6.866 50 30 KKEARN O=S(=O)(O[C@@]1(c2ccc(C(F)(F)F)cc2)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000098005065 554056586 /nfs/dbraw/zinc/05/65/86/554056586.db2.gz NKLBPKOUTMMSNN-SANMLTNESA-N 0 0 629.465 6.849 50 30 KKEARN O=C(Oc1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-])C(C(F)(F)F)C(F)(F)F ZINC000098005125 554056931 /nfs/dbraw/zinc/05/69/31/554056931.db2.gz BKBCMCNBMJBDMS-UHFFFAOYSA-N 0 0 511.680 6.706 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000098005876 554059170 /nfs/dbraw/zinc/05/91/70/554059170.db2.gz SUSXLQOASFRCTD-LJQANCHMSA-N 0 0 528.074 6.787 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000098005892 554059236 /nfs/dbraw/zinc/05/92/36/554059236.db2.gz KTMKKWRLCQHBMN-MHZLTWQESA-N 0 0 526.942 5.613 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000098005893 554059239 /nfs/dbraw/zinc/05/92/39/554059239.db2.gz WRNAQUWJXOMZDW-HHHXNRCGSA-N 0 0 526.942 5.613 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccccc1OC)CCCC2 ZINC000098006097 554060472 /nfs/dbraw/zinc/06/04/72/554060472.db2.gz VOKKPKOKGMDAET-DEOSSOPVSA-N 0 0 534.678 5.665 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000098006203 554060876 /nfs/dbraw/zinc/06/08/76/554060876.db2.gz CNLQLTWFSZAHKD-QGZVFWFLSA-N 0 0 527.027 5.920 50 30 KKEARN CCCCCCCCSc1c(C(=O)Nc2ccc(OC)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000098006303 554061032 /nfs/dbraw/zinc/06/10/32/554061032.db2.gz WWANTVYPDJLQTM-UHFFFAOYSA-N 0 0 501.648 7.176 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@@H]2c1ccccc1F ZINC000098006275 554061126 /nfs/dbraw/zinc/06/11/26/554061126.db2.gz SAYOWDNUXMUCJB-GOSISDBHSA-N 0 0 561.626 7.152 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(c3ccccc3OC)CC1)n2Cc1ccc(F)c(F)c1 ZINC000035564663 554061143 /nfs/dbraw/zinc/06/11/43/554061143.db2.gz GCDXFEGOXFEHKY-UHFFFAOYSA-N 0 0 517.576 5.504 50 30 KKEARN CCCCCCCCS(=O)(=O)c1c(C(=O)Nc2ccc(OC)cc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000098006306 554061152 /nfs/dbraw/zinc/06/11/52/554061152.db2.gz RWDDOJSLGGUCCH-UHFFFAOYSA-N 0 0 533.646 5.857 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000098006312 554061185 /nfs/dbraw/zinc/06/11/85/554061185.db2.gz WMGQHRFGQHSOMQ-GOSISDBHSA-N 0 0 528.074 6.787 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1cccs1)N1CCOCC1 ZINC000035671653 554062562 /nfs/dbraw/zinc/06/25/62/554062562.db2.gz QGXRTIUILFNGSO-XMMPIXPASA-N 0 0 521.042 5.993 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007822 554064525 /nfs/dbraw/zinc/06/45/25/554064525.db2.gz PSWBFDRDTQPVAK-ANSQWYIGSA-N 0 0 552.555 5.645 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000098007912 554064723 /nfs/dbraw/zinc/06/47/23/554064723.db2.gz YUFTXJZDUDGNRJ-VKIDHGPPSA-N 0 0 537.584 5.745 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008070 554065909 /nfs/dbraw/zinc/06/59/09/554065909.db2.gz LFXDCPDSPDXMSQ-BERHBOFZSA-N 0 0 530.602 5.675 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008096 554065950 /nfs/dbraw/zinc/06/59/50/554065950.db2.gz MLPZCJOKPVCFRF-VFUKXHBFSA-N 0 0 551.567 5.466 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008100 554065985 /nfs/dbraw/zinc/06/59/85/554065985.db2.gz SOAQWZBOIJOQIB-VFUKXHBFSA-N 0 0 533.577 5.326 50 30 KKEARN N#Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000035724579 554067830 /nfs/dbraw/zinc/06/78/30/554067830.db2.gz ZEQGZJFPWWSSBQ-OAQYLSRUSA-N 0 0 502.987 5.102 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000098009104 554069291 /nfs/dbraw/zinc/06/92/91/554069291.db2.gz YSNSRQGCCMWRQX-NIJXNBFTSA-N 0 0 557.565 5.428 50 30 KKEARN CCOCCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000035766478 554071557 /nfs/dbraw/zinc/07/15/57/554071557.db2.gz GEMLLLKTQYFRJC-UHFFFAOYSA-N 0 0 506.578 5.088 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(CCCC)cc1 ZINC000035770828 554073112 /nfs/dbraw/zinc/07/31/12/554073112.db2.gz DGZYGJGSGWOFJX-WJOKGBTCSA-N 0 0 528.762 7.191 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000035817489 554078752 /nfs/dbraw/zinc/07/87/52/554078752.db2.gz SSIDHYMYMMSQMK-DSUXHZLJSA-N 0 0 508.014 5.969 50 30 KKEARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098017016 554105566 /nfs/dbraw/zinc/10/55/66/554105566.db2.gz KWTHGNPAAKFCAB-UHFFFAOYSA-N 0 0 588.589 7.560 50 30 KKEARN CCOCCCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)Cc1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098017591 554109110 /nfs/dbraw/zinc/10/91/10/554109110.db2.gz ROIGMUAGJFAHOY-UHFFFAOYSA-N 0 0 677.661 7.811 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000098017883 554110817 /nfs/dbraw/zinc/11/08/17/554110817.db2.gz JBEOBZNYRBYEOA-MHZLTWQESA-N 0 0 500.655 6.096 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035973774 554114827 /nfs/dbraw/zinc/11/48/27/554114827.db2.gz UOTNZHGSFWZXOM-HFUYDOEQSA-N 0 0 505.611 5.416 50 30 KKEARN CCCCCCCC(=O)N(CCC(C)C)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000098020048 554116142 /nfs/dbraw/zinc/11/61/42/554116142.db2.gz SOXNSNFNKOTOJG-UHFFFAOYSA-N 0 0 536.688 6.696 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(Br)cc2)c(CC)s1 ZINC000098042898 554122941 /nfs/dbraw/zinc/12/29/41/554122941.db2.gz RYECWOXYDXDERJ-VWLOTQADSA-N 0 0 530.484 6.183 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000098043221 554125809 /nfs/dbraw/zinc/12/58/09/554125809.db2.gz OFKVBHCXXBWXJT-UHFFFAOYSA-N 0 0 589.355 8.259 50 30 KKEARN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Sc2ccccc2C#N)cc1OC ZINC000098043279 554126042 /nfs/dbraw/zinc/12/60/42/554126042.db2.gz GSJKYQYYEWRPAN-MHZLTWQESA-N 0 0 580.706 6.726 50 30 KKEARN O=C1C=CC(=O)N1c1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N5C(=O)C=CC5=O)c4)c(F)c3F)c(F)c2F)c1 ZINC000098043426 554127135 /nfs/dbraw/zinc/12/71/35/554127135.db2.gz DBMPCXBVONZEJN-UHFFFAOYSA-N 0 0 672.440 6.910 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)nc(Nc3ccccc3)n2)cc1 ZINC000035999811 554127246 /nfs/dbraw/zinc/12/72/46/554127246.db2.gz IKVUNSYBOFEBRT-UXHLAJHPSA-N 0 0 593.560 6.422 50 30 KKEARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSC1=CC(=O)C(Cl)=C(Cl)C1=O ZINC000098044766 554129512 /nfs/dbraw/zinc/12/95/12/554129512.db2.gz GCJXOMPQHKVLMU-UHFFFAOYSA-N 0 0 533.227 5.084 50 30 KKEARN CCCCCCCCCOc1ccc(C#CC(=O)Oc2ccc(C(=O)OC(CCC)CCC)cc2)cc1 ZINC000098044772 554129741 /nfs/dbraw/zinc/12/97/41/554129741.db2.gz YOJQQXDKNAWFGE-UHFFFAOYSA-N 0 0 506.683 7.899 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098044786 554129793 /nfs/dbraw/zinc/12/97/93/554129793.db2.gz VEFVRZXZTMQWTN-XVODIUIHSA-N 0 0 571.721 7.756 50 30 KKEARN CCCCCCCCN(CCCCCCCC)C(=O)COc1ccc2ccccc2c1Br ZINC000098044799 554129798 /nfs/dbraw/zinc/12/97/98/554129798.db2.gz ACHNXTAGJFHWFL-UHFFFAOYSA-N 0 0 504.553 8.531 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3nc(C4CCC(CCCCCC)CC4)no3)cc2)cc1 ZINC000098044996 554130098 /nfs/dbraw/zinc/13/00/98/554130098.db2.gz ATGWRMRCAJNVQZ-UHFFFAOYSA-N 0 0 500.771 10.551 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000098044984 554130103 /nfs/dbraw/zinc/13/01/03/554130103.db2.gz MPQANXLESBBKME-UHUCZFSXSA-N 0 0 561.726 7.061 50 30 KKEARN CCCCCC1CCC(c2ccc(C(=O)Nc3ccc(Nc4ccc(C#N)cc4)c4c3C(=O)c3ccccc3C4=O)cc2)CC1 ZINC000098045044 554130263 /nfs/dbraw/zinc/13/02/63/554130263.db2.gz TYRQKCHZICGYSH-UHFFFAOYSA-N 0 0 595.743 9.184 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000098045015 554130313 /nfs/dbraw/zinc/13/03/13/554130313.db2.gz VCLFCRQKXIGSCR-WINIVTDRSA-N 0 0 539.985 6.869 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000098045524 554132173 /nfs/dbraw/zinc/13/21/73/554132173.db2.gz CPFRJNPYFNWWPH-UGDMGKLASA-N 0 0 550.596 8.325 50 30 KKEARN C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000098045859 554134170 /nfs/dbraw/zinc/13/41/70/554134170.db2.gz WCYLRPHNVCFFLM-GDLZYMKVSA-N 0 0 661.350 6.714 50 30 KKEARN CC[C@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000098045889 554134418 /nfs/dbraw/zinc/13/44/18/554134418.db2.gz LWQQJENCWQBILI-KRWDZBQOSA-N 0 0 541.500 5.600 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC(C)C)=C(C)NC(C)=C2C(=O)OC(C)C)cc1 ZINC000098046341 554137962 /nfs/dbraw/zinc/13/79/62/554137962.db2.gz BKYAWFIGKVREDV-UHFFFAOYSA-N 0 0 555.675 6.242 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000098046574 554141238 /nfs/dbraw/zinc/14/12/38/554141238.db2.gz MIIFRHIUGLJXPN-NDEPHWFRSA-N 0 0 544.604 5.065 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)c1 ZINC000098046697 554142751 /nfs/dbraw/zinc/14/27/51/554142751.db2.gz VCXIRUJWCCMRGY-UUWRZZSWSA-N 0 0 582.656 7.540 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046753 554143191 /nfs/dbraw/zinc/14/31/91/554143191.db2.gz XVTUOWPUDQLWBI-XMMPIXPASA-N 0 0 533.452 5.083 50 30 KKEARN C=CCn1c(CN(C(=O)c2ccc(Cl)cc2Cl)C(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031177 554144949 /nfs/dbraw/zinc/14/49/49/554144949.db2.gz YPNFMIQTNHTCDY-UHFFFAOYSA-N 0 0 506.455 5.401 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c(C)c1 ZINC000098047078 554146325 /nfs/dbraw/zinc/14/63/25/554146325.db2.gz JQRRTDJNKGAMCD-UHFFFAOYSA-N 0 0 541.648 5.774 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037726 554146477 /nfs/dbraw/zinc/14/64/77/554146477.db2.gz HMGRBYFAVRKIJP-NMNUPHIUSA-N 0 0 511.615 5.381 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047101 554146700 /nfs/dbraw/zinc/14/67/00/554146700.db2.gz QACJBSMKPIASHM-SSEXGKCCSA-N 0 0 532.596 6.526 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047248 554148285 /nfs/dbraw/zinc/14/82/85/554148285.db2.gz ARVLTWLEXPPMFW-LJAQVGFWSA-N 0 0 536.584 5.456 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1cccc(F)c1 ZINC000036040466 554149268 /nfs/dbraw/zinc/14/92/68/554149268.db2.gz SXRYGDOAPHQSJD-UHFFFAOYSA-N 0 0 521.536 5.178 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047380 554150122 /nfs/dbraw/zinc/15/01/22/554150122.db2.gz GKSNXVRPTXSSGA-MUUNZHRXSA-N 0 0 613.805 8.090 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000098047447 554151015 /nfs/dbraw/zinc/15/10/15/554151015.db2.gz ZMDBAKSYNUFALS-UHFFFAOYSA-N 0 0 555.528 7.227 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036048129 554153757 /nfs/dbraw/zinc/15/37/57/554153757.db2.gz AWERVCFFHITSGN-UHFFFAOYSA-N 0 0 522.605 5.658 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000098047690 554154509 /nfs/dbraw/zinc/15/45/09/554154509.db2.gz CNRUIVRHCXUUMJ-QFIPXVFZSA-N 0 0 534.827 5.911 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccc(C)cc1 ZINC000036049692 554156022 /nfs/dbraw/zinc/15/60/22/554156022.db2.gz GEPREUHRSIGGGD-UHFFFAOYSA-N 0 0 502.977 5.907 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccc(F)cc1 ZINC000036052527 554158435 /nfs/dbraw/zinc/15/84/35/554158435.db2.gz GHYHTBDMVKQKMF-UHFFFAOYSA-N 0 0 518.976 5.607 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048053 554159164 /nfs/dbraw/zinc/15/91/64/554159164.db2.gz GSRJQQLWQPBHII-SGANQWHYSA-N 0 0 530.577 5.940 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@H](c2ccc(Cl)cc2)N2CCCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000098048186 554160503 /nfs/dbraw/zinc/16/05/03/554160503.db2.gz PRYWGYKBWHPMHY-XNMGPUDCSA-N 0 0 553.461 6.938 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](c3ccc(Cl)cc3)N3CCCCC3)[C@H]2c2ccccc2F)cc1 ZINC000098048191 554160558 /nfs/dbraw/zinc/16/05/58/554160558.db2.gz PTJHTVUEJJBJII-IAPPQJPRSA-N 0 0 533.043 6.593 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000098048493 554161832 /nfs/dbraw/zinc/16/18/32/554161832.db2.gz DCGVGTZLNWIMCA-UHFFFAOYSA-N 0 0 616.718 7.938 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000098049081 554162967 /nfs/dbraw/zinc/16/29/67/554162967.db2.gz ZKKKFGPULCKZAE-XMMPIXPASA-N 0 0 533.650 5.565 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000098049072 554162986 /nfs/dbraw/zinc/16/29/86/554162986.db2.gz WEOIUYXINJNSQU-DEOSSOPVSA-N 0 0 582.520 6.319 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098050108 554171952 /nfs/dbraw/zinc/17/19/52/554171952.db2.gz UDYHPCFXATZJGV-NDEPHWFRSA-N 0 0 599.640 5.602 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050124 554172372 /nfs/dbraw/zinc/17/23/72/554172372.db2.gz DXPQOZPFGWBGFZ-MHZLTWQESA-N 0 0 553.571 5.305 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000098050344 554173941 /nfs/dbraw/zinc/17/39/41/554173941.db2.gz ATHCKGPPIMQGDJ-XMMPIXPASA-N 0 0 560.672 6.192 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000098050336 554174076 /nfs/dbraw/zinc/17/40/76/554174076.db2.gz JFNAWINUBDSSKT-XMMPIXPASA-N 0 0 546.645 6.018 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CC)cc3)nc3c(C)cccc23)cc1 ZINC000098050381 554174430 /nfs/dbraw/zinc/17/44/30/554174430.db2.gz VNBGVFONUUVJDQ-UHFFFAOYSA-N 0 0 507.674 8.325 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000098050469 554174979 /nfs/dbraw/zinc/17/49/79/554174979.db2.gz IXEJZFPSIBKLLU-NMEUQEADSA-N 0 0 586.526 7.107 50 30 KKEARN C=CCN(Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000098050557 554175265 /nfs/dbraw/zinc/17/52/65/554175265.db2.gz ABKIABMPNCPWRZ-UHFFFAOYSA-N 0 0 689.000 6.222 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000098050656 554175749 /nfs/dbraw/zinc/17/57/49/554175749.db2.gz HJBKGPAPNQDLLT-XRKRLSELSA-N 0 0 568.651 5.455 50 30 KKEARN COc1cc(OC)c(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1Br ZINC000100004662 554177731 /nfs/dbraw/zinc/17/77/31/554177731.db2.gz MFMFHJWWBHEFLL-OAQYLSRUSA-N 0 0 507.421 5.326 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 ZINC000036116059 554180380 /nfs/dbraw/zinc/18/03/80/554180380.db2.gz YKZMTQUMNPVLGN-HSZRJFAPSA-N 0 0 515.462 5.888 50 30 KKEARN Fc1ccc(/C=N/c2ccc(C3(c4ccc(/N=C/c5ccc(F)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 ZINC000100010090 554180572 /nfs/dbraw/zinc/18/05/72/554180572.db2.gz VUZCTILTIBJOHR-DCRHPOARSA-N 0 0 560.647 9.829 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(C)c1 ZINC000036116389 554181510 /nfs/dbraw/zinc/18/15/10/554181510.db2.gz FDHGJIDAZQQKCR-RUZDIDTESA-N 0 0 509.071 5.852 50 30 KKEARN COc1ccc(Br)cc1CN=Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1 ZINC000100028285 554183881 /nfs/dbraw/zinc/18/38/81/554183881.db2.gz DSMQTJUWPSJANJ-MZJWZYIUSA-N 0 0 563.416 6.101 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1cccc(OC)c1 ZINC000036117137 554184211 /nfs/dbraw/zinc/18/42/11/554184211.db2.gz UDGOENYNWYSCJP-HHHXNRCGSA-N 0 0 518.679 5.713 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)c1ccc(OC)cc1 ZINC000036119270 554187517 /nfs/dbraw/zinc/18/75/17/554187517.db2.gz ZVVIOQYOGPPTIO-RUZDIDTESA-N 0 0 504.652 5.207 50 30 KKEARN O=C(Oc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000100035813 554189332 /nfs/dbraw/zinc/18/93/32/554189332.db2.gz JSISFFGTCBTORO-DITNJDIQSA-N 0 0 593.466 8.933 50 30 KKEARN O=C1c2cc(Br)cc(Br)c2N/C1=C1/Nc2c(cc(Br)cc2Br)C1=O ZINC000100035972 554189906 /nfs/dbraw/zinc/18/99/06/554189906.db2.gz PTWYQANXSNMUTI-BUHFOSPRSA-N 0 0 577.852 5.865 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)Br ZINC000100045288 554193187 /nfs/dbraw/zinc/19/31/87/554193187.db2.gz IAAGCYUINJEWTK-SFOWXEAESA-N 0 0 548.965 6.984 50 30 KKEARN COc1ccc(/N=C\c2ccc(OC(=O)CCCCCCC(=O)Oc3ccc(/C=N\c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000100045467 554193551 /nfs/dbraw/zinc/19/35/51/554193551.db2.gz DIQSNMZLBHZFLL-MEDPLMNLSA-N 0 0 592.692 8.057 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1 ZINC000036122397 554193768 /nfs/dbraw/zinc/19/37/68/554193768.db2.gz SKQLRRHUFRLGAM-DEOSSOPVSA-N 0 0 526.058 5.635 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)Nc1cccc(Cl)c1 ZINC000036122539 554194391 /nfs/dbraw/zinc/19/43/91/554194391.db2.gz KEUIQNCBESUASX-QFIPXVFZSA-N 0 0 526.058 5.635 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000036122947 554194840 /nfs/dbraw/zinc/19/48/40/554194840.db2.gz ULTZNMUQYUOXQA-XMMPIXPASA-N 0 0 510.059 5.935 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100052636 554194867 /nfs/dbraw/zinc/19/48/67/554194867.db2.gz OYAWYPSJENPRNG-XBBWARJSSA-N 0 0 544.438 8.193 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100052664 554194908 /nfs/dbraw/zinc/19/49/08/554194908.db2.gz BKVJIUUTHQKBGC-WRGVRERRSA-N 0 0 540.019 7.548 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000036123846 554195658 /nfs/dbraw/zinc/19/56/58/554195658.db2.gz AMBYOPOCLPARDJ-HSZRJFAPSA-N 0 0 514.022 5.766 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc(Br)cc5)o4)cc3s2)c(C)c1 ZINC000100056705 554196517 /nfs/dbraw/zinc/19/65/17/554196517.db2.gz CNDNMMSCJONTDK-XVIDZLOXSA-N 0 0 604.595 9.114 50 30 KKEARN CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC ZINC000100056641 554196522 /nfs/dbraw/zinc/19/65/22/554196522.db2.gz JMYBRXSQFQZFFB-UHFFFAOYSA-N 0 0 540.826 8.874 50 30 KKEARN O=C(Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1cccnc1 ZINC000100058059 554197338 /nfs/dbraw/zinc/19/73/38/554197338.db2.gz FWLWEWJBONBPJF-UHFFFAOYSA-N 0 0 548.255 6.392 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000100063775 554199247 /nfs/dbraw/zinc/19/92/47/554199247.db2.gz QEYZTSBBFRRISY-DUJLAHKJSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cc(C)ccc3C)c3ccccc32)cc1 ZINC000100066832 554200026 /nfs/dbraw/zinc/20/00/26/554200026.db2.gz RZYDRKKFHNMHTA-RJAFERDYSA-N 0 0 512.609 6.265 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(C=Nc3cccc(Cl)c3Cl)c3ccccc3C2c2ccccc21 ZINC000100066924 554200136 /nfs/dbraw/zinc/20/01/36/554200136.db2.gz PGLWGQQLNAGQAS-JTAFDBABSA-N 0 0 557.864 7.600 50 30 KKEARN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc54)cc3s2)c([N+](=O)[O-])c1 ZINC000100066965 554200140 /nfs/dbraw/zinc/20/01/40/554200140.db2.gz PMBHWZULOGPLFF-CCVNUDIWSA-N 0 0 544.614 6.553 50 30 KKEARN CC(C)(C)c1cc(CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)/N=C\c2ccccc2O)cc(C(C)(C)C)c1O ZINC000100073631 554203167 /nfs/dbraw/zinc/20/31/67/554203167.db2.gz YXXBNRBXGSCTFB-GLJXUZQSSA-N 0 0 572.834 9.030 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100079638 554206036 /nfs/dbraw/zinc/20/60/36/554206036.db2.gz YKANYHZMUSZSKF-WRHNGFHOSA-N 0 0 600.937 6.967 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100079666 554206038 /nfs/dbraw/zinc/20/60/38/554206038.db2.gz KGDBLLAEZBFXTN-XJFCNFDWSA-N 0 0 547.139 7.424 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=NCCc3ccccc3)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100079768 554206429 /nfs/dbraw/zinc/20/64/29/554206429.db2.gz ICBSAJYGLKXMPW-MUUNZHRXSA-N 0 0 597.703 7.550 50 30 KKEARN CCCOc1ccc(N2C(=O)C[C@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100079764 554206442 /nfs/dbraw/zinc/20/64/42/554206442.db2.gz HBGFKUOBTDEASS-MHZLTWQESA-N 0 0 615.674 6.397 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100079947 554206451 /nfs/dbraw/zinc/20/64/51/554206451.db2.gz PJIHGRNVAHJACS-SLGOVJDISA-N 0 0 559.659 5.867 50 30 KKEARN C=CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306067 554215713 /nfs/dbraw/zinc/21/57/13/554215713.db2.gz PJLRHLCQBRVUSY-HSZRJFAPSA-N 0 0 503.599 5.047 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100103396 554220134 /nfs/dbraw/zinc/22/01/34/554220134.db2.gz PKAZIMLJGRYIMW-LHAPQZOASA-N 0 0 628.575 9.193 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000100105656 554220595 /nfs/dbraw/zinc/22/05/95/554220595.db2.gz BNRYOANPOKWDRL-GYRQNLHBSA-N 0 0 522.788 6.142 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000100110082 554221101 /nfs/dbraw/zinc/22/11/01/554221101.db2.gz GMYVIMNYUQORLQ-GVELEZAPSA-N 0 0 601.659 7.226 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000100109994 554221210 /nfs/dbraw/zinc/22/12/10/554221210.db2.gz DAYVAWMIUVUNQJ-AOCIIXMHSA-N 0 0 610.754 8.385 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100110961 554221862 /nfs/dbraw/zinc/22/18/62/554221862.db2.gz RNVNMPYEMTUIRB-WNTACTQDSA-N 0 0 584.859 7.322 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000100116885 554223781 /nfs/dbraw/zinc/22/37/81/554223781.db2.gz YKEDBCPGGOPGJS-LMQTZDNFSA-N 0 0 590.048 6.075 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=O)N2c3ccccc3Sc3ccccc32)n1 ZINC000100127279 554225078 /nfs/dbraw/zinc/22/50/78/554225078.db2.gz YBPXIVTZJURRMZ-UHFFFAOYSA-N 0 0 533.661 6.598 50 30 KKEARN Cc1ccc(C(=O)NCc2ns/c(=N\C(=N\c3ccccc3)c3ccccc3)n2Cc2ccccc2)cc1 ZINC000100134490 554226307 /nfs/dbraw/zinc/22/63/07/554226307.db2.gz GRNQYVILPFPSIY-GIBQPDKOSA-N 0 0 517.658 5.911 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100142000 554228133 /nfs/dbraw/zinc/22/81/33/554228133.db2.gz QQFWVDUPIOHYTC-ACSYHNTCSA-N 0 0 529.423 7.801 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(C(=O)OCC)cc3)S2)cc1 ZINC000100142433 554228492 /nfs/dbraw/zinc/22/84/92/554228492.db2.gz XMXXTDIHNVREEV-IMEPGBNMSA-N 0 0 559.688 5.855 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2F)cc1OC ZINC000100142503 554228869 /nfs/dbraw/zinc/22/88/69/554228869.db2.gz BWILEKRZHUCGJT-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)c1 ZINC000100144035 554229750 /nfs/dbraw/zinc/22/97/50/554229750.db2.gz VGZTTXHEWSSRLT-HFJFZZAHSA-N 0 0 527.568 6.265 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100144535 554230101 /nfs/dbraw/zinc/23/01/01/554230101.db2.gz QUVFIUMXNHKXFO-CALDVZBHSA-N 0 0 566.079 5.728 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000100160319 554234393 /nfs/dbraw/zinc/23/43/93/554234393.db2.gz KNLOUNUTRYARCH-ZSQFBXSQSA-N 0 0 624.587 5.600 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000100160674 554234588 /nfs/dbraw/zinc/23/45/88/554234588.db2.gz FDHFILKXBRXYCI-SAAIGDAKSA-N 0 0 602.634 5.501 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160646 554234626 /nfs/dbraw/zinc/23/46/26/554234626.db2.gz OGKHAUAODJUHJU-ZKMPZPQNSA-N 0 0 611.016 6.106 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F ZINC000100167059 554237070 /nfs/dbraw/zinc/23/70/70/554237070.db2.gz SNNSEWRFEQJZFE-QMMFTLRZSA-N 0 0 566.714 8.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000100167100 554237136 /nfs/dbraw/zinc/23/71/36/554237136.db2.gz JHWSSVMZOHNASR-CRLCJXSUSA-N 0 0 559.791 9.154 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000100167107 554237398 /nfs/dbraw/zinc/23/73/98/554237398.db2.gz MMRUSNJAGRWIDJ-JHXFDKLPSA-N 0 0 529.765 9.146 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000100170499 554237901 /nfs/dbraw/zinc/23/79/01/554237901.db2.gz ZJEFGNCWTDJDHJ-GVXSCFBNSA-N 0 0 594.561 5.592 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100172126 554238797 /nfs/dbraw/zinc/23/87/97/554238797.db2.gz OFWZCJZZDVQQKV-IEZKXTBUSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172240 554238815 /nfs/dbraw/zinc/23/88/15/554238815.db2.gz FXKPTJJSKILMRH-NKKJXINNSA-N 0 0 611.642 5.689 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172964 554239367 /nfs/dbraw/zinc/23/93/67/554239367.db2.gz RILZZGVHNQZOGO-JSRBVGTNSA-N 0 0 609.119 6.376 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)nc1 ZINC000100197771 554246187 /nfs/dbraw/zinc/24/61/87/554246187.db2.gz PBQVNSFTBDQFOU-MNBJERMJSA-N 0 0 538.405 7.323 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(C)cc1 ZINC000100205377 554248031 /nfs/dbraw/zinc/24/80/31/554248031.db2.gz DUYARNLVIWQDBH-UHFFFAOYSA-N 0 0 626.531 7.587 50 30 KKEARN CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100207589 554248256 /nfs/dbraw/zinc/24/82/56/554248256.db2.gz ICFOUUKSSVNTSV-JBASAIQMSA-N 0 0 546.867 6.975 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1ccccc1C#N ZINC000100214808 554249727 /nfs/dbraw/zinc/24/97/27/554249727.db2.gz ZEWFESAXOWSRGJ-VWLOTQADSA-N 0 0 541.401 5.641 50 30 KKEARN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000100214881 554249746 /nfs/dbraw/zinc/24/97/46/554249746.db2.gz IMNNHWYEORFZKH-VWLOTQADSA-N 0 0 533.983 6.198 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100215167 554249801 /nfs/dbraw/zinc/24/98/01/554249801.db2.gz IPLPTRHERFQMFD-YICFVICHSA-N 0 0 580.106 6.118 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217197 554250860 /nfs/dbraw/zinc/25/08/60/554250860.db2.gz CGYSIESANCWSPV-YICFVICHSA-N 0 0 596.105 5.737 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000100217525 554251231 /nfs/dbraw/zinc/25/12/31/554251231.db2.gz HHDGBYMBRIHBPS-AZTNMLBSSA-N 0 0 531.634 5.075 50 30 KKEARN CCCCCCCc1ccc(-c2cn3c4c(nc3n2-c2cccc(Cl)c2)n(C)c(=O)n(C)c4=O)cc1 ZINC000100225028 554252674 /nfs/dbraw/zinc/25/26/74/554252674.db2.gz SJNOMRBIVCZVKR-UHFFFAOYSA-N 0 0 504.034 5.509 50 30 KKEARN Cc1cc(C)c2c(N)c(/C(=N/N=C(/c3sc4nc(C)cc(C)c4c3N)c3ccccc3)c3ccccc3)sc2n1 ZINC000100225451 554252959 /nfs/dbraw/zinc/25/29/59/554252959.db2.gz CDVXADBRIBMMHH-RIGUPBQNSA-N 0 0 560.752 7.594 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1=O ZINC000100229464 554255054 /nfs/dbraw/zinc/25/50/54/554255054.db2.gz FWOXPMLUVDQXPG-AUEPDCJTSA-N 0 0 560.275 7.041 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100233545 554257852 /nfs/dbraw/zinc/25/78/52/554257852.db2.gz MHYGKCQMZPRGTF-SYWXHZCSSA-N 0 0 585.509 7.382 50 30 KKEARN N#Cc1c2c(sc1N1c3nc(N)c(C#N)c(N)c3[C@@H](c3cccc(Cl)c3)C3=C1CCCC3=O)CCCC2 ZINC000100247492 554261421 /nfs/dbraw/zinc/26/14/21/554261421.db2.gz PVZUZKCVZJGPCC-QFIPXVFZSA-N 0 0 527.053 5.874 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000100260306 554265322 /nfs/dbraw/zinc/26/53/22/554265322.db2.gz ANCVZNCHZNSQDS-FMCGGJTJSA-N 0 0 523.383 6.275 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100262084 554265757 /nfs/dbraw/zinc/26/57/57/554265757.db2.gz YUSDMQXBFOCPEL-OEGVVYNJSA-N 0 0 510.752 6.256 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100262100 554265773 /nfs/dbraw/zinc/26/57/73/554265773.db2.gz KAHPKRQRKWYZBL-OEGVVYNJSA-N 0 0 510.752 6.256 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OC ZINC000100268679 554268157 /nfs/dbraw/zinc/26/81/57/554268157.db2.gz UUVBGQMBPQALTG-JWGURIENSA-N 0 0 593.508 5.873 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C)cc3)c(OC)c2)SC1=S ZINC000100268686 554268652 /nfs/dbraw/zinc/26/86/52/554268652.db2.gz FPGZWZIJLWXMOH-ZHZULCJRSA-N 0 0 567.470 5.453 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000100281333 554276686 /nfs/dbraw/zinc/27/66/86/554276686.db2.gz DKLWRXHSLOHRIX-FEEXRDNLSA-N 0 0 540.016 5.469 50 30 KKEARN CCCCCCCCOc1ccc(-c2nc3sc(-c4ccc(OCCCCCCCC)cc4)nc3s2)cc1 ZINC000100285540 554279358 /nfs/dbraw/zinc/27/93/58/554279358.db2.gz JBQQYZCKYRTYKV-UHFFFAOYSA-N 0 0 550.834 10.565 50 30 KKEARN COc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100286225 554280510 /nfs/dbraw/zinc/28/05/10/554280510.db2.gz GWJJHKARVPFBIU-GDPNMCRISA-N 0 0 529.552 5.557 50 30 KKEARN COc1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccc(F)cc2)S1 ZINC000100294986 554287686 /nfs/dbraw/zinc/28/76/86/554287686.db2.gz WTZXWFSYRNLHMS-DXWCKFLSSA-N 0 0 537.613 5.055 50 30 KKEARN COc1cc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)ccc1O ZINC000100297671 554289177 /nfs/dbraw/zinc/28/91/77/554289177.db2.gz YLOTVTIMTLLIML-DEZWEULXSA-N 0 0 553.352 5.188 50 30 KKEARN CCCCCCCCCCOc1cc(Br)c(OCCCCCCCCCC)cc1Br ZINC000100300711 554291030 /nfs/dbraw/zinc/29/10/30/554291030.db2.gz JFMBJLMINSDIQC-UHFFFAOYSA-N 0 0 548.444 10.251 50 30 KKEARN COP(=O)(OC)[C@@H](NS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100301187 554291482 /nfs/dbraw/zinc/29/14/82/554291482.db2.gz VTCTWFQCPOCTDX-SNVBAGLBSA-N 0 0 579.296 5.219 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000100302175 554291970 /nfs/dbraw/zinc/29/19/70/554291970.db2.gz OWLQFSGLZRUVDK-MOSHPQCFSA-N 0 0 578.428 5.238 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308095 554296439 /nfs/dbraw/zinc/29/64/39/554296439.db2.gz AKJKRWBORIUWOK-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308153 554296705 /nfs/dbraw/zinc/29/67/05/554296705.db2.gz QHQKVKIZTLRYRK-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1 ZINC000043202900 554298091 /nfs/dbraw/zinc/29/80/91/554298091.db2.gz CITWCLNVRIKQAF-UHFFFAOYSA-N 0 0 520.039 5.514 50 30 in-man KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000100313487 554301816 /nfs/dbraw/zinc/30/18/16/554301816.db2.gz AQIZPQMQSKDSNR-UHFFFAOYSA-N 0 0 604.552 6.743 50 30 KKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(Br)cc2)cc1C ZINC000044859361 554305949 /nfs/dbraw/zinc/30/59/49/554305949.db2.gz OUBVUAPREWHUGN-XMMPIXPASA-N 0 0 519.443 6.173 50 30 KKEARN CCOc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000044858914 554305953 /nfs/dbraw/zinc/30/59/53/554305953.db2.gz MGNWFFFTGIBYOL-XMMPIXPASA-N 0 0 524.543 6.211 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100322089 554306450 /nfs/dbraw/zinc/30/64/50/554306450.db2.gz HIZZOEQWNRUMOP-YDZHTSKRSA-N 0 0 557.897 7.199 50 30 KKEARN COc1cc(C=NNc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)NCc1ccccc1 ZINC000100329331 554311359 /nfs/dbraw/zinc/31/13/59/554311359.db2.gz CCXVHDLWTSBVER-CPDSRJINSA-N 0 0 583.348 5.460 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000100331867 554313997 /nfs/dbraw/zinc/31/39/97/554313997.db2.gz GQNHSOHUUBMFHE-MYILAFDMSA-N 0 0 509.480 5.905 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000100331871 554314082 /nfs/dbraw/zinc/31/40/82/554314082.db2.gz GQNHSOHUUBMFHE-IGQYLQMFSA-N 0 0 509.480 5.905 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100337680 554321859 /nfs/dbraw/zinc/32/18/59/554321859.db2.gz GWJUDITYULYGCY-HXUWFJFHSA-N 0 0 553.236 5.799 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000049722717 554324707 /nfs/dbraw/zinc/32/47/07/554324707.db2.gz PEINYWSPPBNITE-SSOJOUAXSA-N 0 0 546.447 5.562 50 30 KKEARN Fc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000049766684 554325641 /nfs/dbraw/zinc/32/56/41/554325641.db2.gz QSSKGRXDAWNJSG-UHFFFAOYSA-N 0 0 522.221 5.498 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)/C=C/c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049780528 554325911 /nfs/dbraw/zinc/32/59/11/554325911.db2.gz LXCNPSDULNZQOW-RRKSSEBOSA-N 0 0 572.874 9.262 50 30 biogenic KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918094 554327278 /nfs/dbraw/zinc/32/72/78/554327278.db2.gz GGQPJZBVFPWEKT-OOOSNSGVSA-N 0 0 558.634 6.696 50 30 KKEARN CCCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000050704718 554327613 /nfs/dbraw/zinc/32/76/13/554327613.db2.gz ZPFAHBIJRXCVTF-JBASAIQMSA-N 0 0 502.684 7.257 50 30 KKEARN COc1cc(C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065483 554328755 /nfs/dbraw/zinc/32/87/55/554328755.db2.gz VTRIMMOZIZQPDE-JJIBRWJFSA-N 0 0 506.558 6.805 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000053290714 554331524 /nfs/dbraw/zinc/33/15/24/554331524.db2.gz XGQRDKJFRFWZEJ-KCEHZKJRSA-N 0 0 553.489 8.516 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306316 554333877 /nfs/dbraw/zinc/33/38/77/554333877.db2.gz QZVFJGIRBUQFFQ-JMQGSBJISA-N 0 0 554.668 6.925 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306503 554334091 /nfs/dbraw/zinc/33/40/91/554334091.db2.gz GNFQORWHTZHRIM-MYYSRTQBSA-N 0 0 561.457 6.474 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306662 554334236 /nfs/dbraw/zinc/33/42/36/554334236.db2.gz KUNFFFTYTVZEEV-HSZRJFAPSA-N 0 0 549.446 6.549 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053306749 554334367 /nfs/dbraw/zinc/33/43/67/554334367.db2.gz IDCTYBZKGWSICG-AKJBCIBTSA-N 0 0 561.059 6.845 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306945 554334751 /nfs/dbraw/zinc/33/47/51/554334751.db2.gz PWUPZNCWCKFNEC-HSZRJFAPSA-N 0 0 549.446 6.549 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000053307577 554335083 /nfs/dbraw/zinc/33/50/83/554335083.db2.gz JPGNHVUTNCOJSH-NDEPHWFRSA-N 0 0 539.890 8.033 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307702 554335495 /nfs/dbraw/zinc/33/54/95/554335495.db2.gz LTIRHCYVDPAIGS-RUZDIDTESA-N 0 0 530.621 6.915 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053307679 554335519 /nfs/dbraw/zinc/33/55/19/554335519.db2.gz OGMIPQYRLHSDOX-HSZRJFAPSA-N 0 0 549.446 6.549 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 ZINC000053319244 554336930 /nfs/dbraw/zinc/33/69/30/554336930.db2.gz HATHOCPLMFWNTF-WIJYMUHASA-N 0 0 552.324 5.382 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(F)(F)F)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000053319320 554337239 /nfs/dbraw/zinc/33/72/39/554337239.db2.gz LFOLCOSIEXKAQA-UDNBHOFDSA-N 0 0 562.632 8.195 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000053319286 554337241 /nfs/dbraw/zinc/33/72/41/554337241.db2.gz ASYQBHJKAWLTGO-RUZDIDTESA-N 0 0 535.438 5.966 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319411 554337992 /nfs/dbraw/zinc/33/79/92/554337992.db2.gz ZHHAGKOIHDLONR-AREMUKBSSA-N 0 0 542.613 5.948 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053319460 554338230 /nfs/dbraw/zinc/33/82/30/554338230.db2.gz ZZYNOWAOCKRHJY-LHAPQZOASA-N 0 0 581.112 8.306 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053319474 554338384 /nfs/dbraw/zinc/33/83/84/554338384.db2.gz JCGYBDPBRZBXCE-RUZDIDTESA-N 0 0 528.630 6.394 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000100357844 554338451 /nfs/dbraw/zinc/33/84/51/554338451.db2.gz YQLCJBLXTPLRHT-HFJFZZAHSA-N 0 0 527.568 6.183 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000053319524 554338549 /nfs/dbraw/zinc/33/85/49/554338549.db2.gz XWMHSTMHZLKCHB-CXNHSUMOSA-N 0 0 593.123 8.238 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053333596 554339909 /nfs/dbraw/zinc/33/99/09/554339909.db2.gz GFQUIQMJYATKQI-SANMLTNESA-N 0 0 542.613 5.866 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334128 554339902 /nfs/dbraw/zinc/33/99/02/554339902.db2.gz DCXWAQAXIJPFOJ-SANMLTNESA-N 0 0 558.612 5.648 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334007 554339950 /nfs/dbraw/zinc/33/99/50/554339950.db2.gz OIVIRFWQJWZEHY-XMMPIXPASA-N 0 0 565.047 6.321 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053334633 554340245 /nfs/dbraw/zinc/34/02/45/554340245.db2.gz CKYUGYJXNRDXAJ-VWLOTQADSA-N 0 0 528.586 5.476 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335065 554340569 /nfs/dbraw/zinc/34/05/69/554340569.db2.gz VOJMNMILROOTDZ-AREMUKBSSA-N 0 0 574.611 5.266 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336225 554341392 /nfs/dbraw/zinc/34/13/92/554341392.db2.gz ZUBVYRSUNRFMCB-XMMPIXPASA-N 0 0 543.557 5.375 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053336963 554342106 /nfs/dbraw/zinc/34/21/06/554342106.db2.gz AEXNIEADEBBHKL-VWLOTQADSA-N 0 0 544.585 5.258 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053337660 554342480 /nfs/dbraw/zinc/34/24/80/554342480.db2.gz XJXDKTXKUQDRQU-GDLZYMKVSA-N 0 0 576.630 6.951 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338398 554342833 /nfs/dbraw/zinc/34/28/33/554342833.db2.gz WVPFLNXEWPLLEQ-QHCPKHFHSA-N 0 0 563.429 5.921 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053339618 554343486 /nfs/dbraw/zinc/34/34/86/554343486.db2.gz VOHFASKICQLUMV-RUZDIDTESA-N 0 0 528.586 5.558 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3)C2)cc1 ZINC000053340458 554344313 /nfs/dbraw/zinc/34/43/13/554344313.db2.gz MZQADLLFFXIEQO-PZGXJGMVSA-N 0 0 533.594 6.996 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053354903 554344551 /nfs/dbraw/zinc/34/45/51/554344551.db2.gz OTHGLGMZZLNBJR-RUZDIDTESA-N 0 0 549.048 6.702 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Br)c1O ZINC000053354692 554344562 /nfs/dbraw/zinc/34/45/62/554344562.db2.gz KXVLSZFRRBZWIB-PWECECGKSA-N 0 0 525.830 6.796 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2)cc1OC ZINC000053359679 554345236 /nfs/dbraw/zinc/34/52/36/554345236.db2.gz FWCDMNISLAQFNB-CAQRMWTPSA-N 0 0 565.069 7.572 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)c(Cl)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000053359653 554345347 /nfs/dbraw/zinc/34/53/47/554345347.db2.gz UMUDVBGORMEWBM-JPQMRUPTSA-N 0 0 547.526 8.783 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N ZINC000100374741 554359106 /nfs/dbraw/zinc/35/91/06/554359106.db2.gz PHNXIUGHDMQXJB-KVSWJAHQSA-N 0 0 576.822 5.700 50 30 KKEARN CC(=NNc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1c(F)c(F)c(F)c(F)c1F ZINC000100384565 554364422 /nfs/dbraw/zinc/36/44/22/554364422.db2.gz AMWHONKHHCZDPM-RVDKCFQWSA-N 0 0 533.298 7.105 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)C(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(C(F)(F)F)cc1 ZINC000100406389 554373420 /nfs/dbraw/zinc/37/34/20/554373420.db2.gz YEAORNQROJPDAE-JUDOOJJKSA-N 0 0 513.829 7.526 50 30 KKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S/C1=N/c1cccc(C(F)(F)F)c1 ZINC000100407496 554374114 /nfs/dbraw/zinc/37/41/14/554374114.db2.gz RETRDHXBWASZAM-PVSHYRDXSA-N 0 0 502.345 6.159 50 30 KKEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S/C1=N/c1cccc(C(F)(F)F)c1 ZINC000100407501 554374121 /nfs/dbraw/zinc/37/41/21/554374121.db2.gz RETRDHXBWASZAM-URSJWSSJSA-N 0 0 502.345 6.159 50 30 KKEARN N#Cc1c(C=CNc2ccc(OC(F)(F)F)cc2)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000100409204 554374404 /nfs/dbraw/zinc/37/44/04/554374404.db2.gz DYEARYJIHQJCFN-AATRIKPKSA-N 0 0 522.883 7.215 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)C(N=Nc1ccc(Cl)c(Cl)c1)=NNc1ccc(Cl)c(Cl)c1 ZINC000100409093 554374407 /nfs/dbraw/zinc/37/44/07/554374407.db2.gz QBTHGPQBAKPTSQ-ALZZSFMSSA-N 0 0 565.166 8.347 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000100412896 554375554 /nfs/dbraw/zinc/37/55/54/554375554.db2.gz DGHQOGZJGBDGGO-DCBAJMHUSA-N 0 0 573.431 5.633 50 30 KKEARN C(=N/c1ccc(-c2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000100444343 554393968 /nfs/dbraw/zinc/39/39/68/554393968.db2.gz TZFKMYGQFRTHJD-GCQSSKKOSA-N 0 0 560.700 11.468 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000100455088 554396053 /nfs/dbraw/zinc/39/60/53/554396053.db2.gz UHBBBRZFILMEHY-LMAJSVEBSA-N 0 0 525.317 5.613 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000059503794 554400178 /nfs/dbraw/zinc/40/01/78/554400178.db2.gz OYILOKYLBWOEPN-ZTOMLWHTSA-N 0 0 545.605 6.772 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059514801 554401669 /nfs/dbraw/zinc/40/16/69/554401669.db2.gz NWJBCKAFQFJMFV-URAOTHONSA-N 0 0 569.614 5.621 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000059515028 554402038 /nfs/dbraw/zinc/40/20/38/554402038.db2.gz MEYSWYJQXSXVLX-FJOMVMCCSA-N 0 0 538.025 5.628 50 30 KKEARN Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000100490716 554402639 /nfs/dbraw/zinc/40/26/39/554402639.db2.gz KSIYJRSOFPXPLU-LVZFUZTISA-N 0 0 526.039 8.612 50 30 KKEARN Cc1c2ccc(OCC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3)cc2oc(=O)c1Cc1ccccc1 ZINC000100497644 554404842 /nfs/dbraw/zinc/40/48/42/554404842.db2.gz WEBCMHREZDKNPA-PJJLUWSFSA-N 0 0 564.554 6.404 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000100498601 554404907 /nfs/dbraw/zinc/40/49/07/554404907.db2.gz YTDONTYBJJWRCK-XBLLBSOESA-N 0 0 534.262 8.018 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100499131 554405300 /nfs/dbraw/zinc/40/53/00/554405300.db2.gz YQMSMCUOIYLKPZ-MRXNPFEDSA-N 0 0 517.748 6.299 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000059530939 554406755 /nfs/dbraw/zinc/40/67/55/554406755.db2.gz RQIAAEOJMBLDDC-UGDMGKLASA-N 0 0 570.711 6.435 50 30 KKEARN COc1ccc(/C=N/N2C(=O)/C(=C/c3ccc(OC)cc3)S/C2=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000100509276 554408359 /nfs/dbraw/zinc/40/83/59/554408359.db2.gz RWXMFOWPOPHVEY-BTOBIWTOSA-N 0 0 553.644 5.140 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@H](C)NC(=O)c1cccs1 ZINC000059603595 554410189 /nfs/dbraw/zinc/41/01/89/554410189.db2.gz RMUIRTWSTJQROX-HNNXBMFYSA-N 0 0 534.505 5.127 50 30 KKEARN Cc1cc(C)cc(C(C(=O)N(O)[C@H]2CCCC[C@@H]2N(O)C(=O)C(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 ZINC000100532469 554410785 /nfs/dbraw/zinc/41/07/85/554410785.db2.gz UXJIDQVUTGVBNI-UWXQCODUSA-N 0 0 646.872 8.865 50 30 KKEARN Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)ccc1NC(=O)c1ccccc1 ZINC000100539779 554412809 /nfs/dbraw/zinc/41/28/09/554412809.db2.gz GUJPCXDHTZKYQP-KBVAKVRCSA-N 0 0 533.853 7.710 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3c(Br)cc([N+](=O)[O-])cc3Br)o2)cc1 ZINC000100540720 554413091 /nfs/dbraw/zinc/41/30/91/554413091.db2.gz VFHQYEDIXXDYQA-AWQFTUOYSA-N 0 0 510.098 5.734 50 30 KKEARN C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)o2)ccc1Cl ZINC000100540967 554413111 /nfs/dbraw/zinc/41/31/11/554413111.db2.gz ZPWOMKSJEKZMHA-XSFVSMFZSA-N 0 0 525.786 6.511 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000100544043 554413403 /nfs/dbraw/zinc/41/34/03/554413403.db2.gz KLWRJEXWDXDGSO-RAWMCFOBSA-N 0 0 571.694 5.929 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000100543748 554413423 /nfs/dbraw/zinc/41/34/23/554413423.db2.gz IWXAAWANXQSZDT-ZNFUCCHLSA-N 0 0 530.005 7.934 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCOCC2)n1 ZINC000100544130 554413810 /nfs/dbraw/zinc/41/38/10/554413810.db2.gz WGOXVSJGILWORK-VYYCAZPPSA-N 0 0 607.282 5.127 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100550255 554414680 /nfs/dbraw/zinc/41/46/80/554414680.db2.gz YMUOTQDQFMUMNW-ZOYWYXQUSA-N 0 0 553.655 6.078 50 30 KKEARN C=CCn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000059626517 554414861 /nfs/dbraw/zinc/41/48/61/554414861.db2.gz NLNMVXFPRHSFBA-UHFFFAOYSA-N 0 0 541.899 6.183 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000100552715 554415076 /nfs/dbraw/zinc/41/50/76/554415076.db2.gz GPOALINDVRBIKG-FWUCURJTSA-N 0 0 539.628 5.817 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059626726 554415205 /nfs/dbraw/zinc/41/52/05/554415205.db2.gz BNNZGOLLFMZYMO-CYBMUJFWSA-N 0 0 558.413 6.012 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100554138 554415759 /nfs/dbraw/zinc/41/57/59/554415759.db2.gz BRWMYAQOLLRRQX-MNNSJKJDSA-N 0 0 568.066 5.605 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000100554277 554415798 /nfs/dbraw/zinc/41/57/98/554415798.db2.gz KOOMBKMFZBOPKG-RBTNQOKQSA-N 0 0 540.125 6.785 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100557155 554416630 /nfs/dbraw/zinc/41/66/30/554416630.db2.gz ZGURNGYTFRSYSI-PPHZAIPVSA-N 0 0 572.123 6.024 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100557502 554416858 /nfs/dbraw/zinc/41/68/58/554416858.db2.gz JFINWHAGRNLNSQ-OVBXVEMXSA-N 0 0 554.481 6.170 50 30 KKEARN CCOc1c(I)cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1OC ZINC000059641065 554416870 /nfs/dbraw/zinc/41/68/70/554416870.db2.gz YROWBCIGBOOTSF-JFLMPSFJSA-N 0 0 591.429 5.203 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100557506 554416913 /nfs/dbraw/zinc/41/69/13/554416913.db2.gz JFINWHAGRNLNSQ-TUZCJGOLSA-N 0 0 554.481 6.170 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100558936 554417199 /nfs/dbraw/zinc/41/71/99/554417199.db2.gz NTROTUSUXZALSM-NIYFSFCBSA-N 0 0 540.454 5.781 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100558819 554417269 /nfs/dbraw/zinc/41/72/69/554417269.db2.gz DNIRRBBWXQNACS-KMRXNPHXSA-N 0 0 556.124 6.405 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000100559112 554417571 /nfs/dbraw/zinc/41/75/71/554417571.db2.gz IBBPXOSLUYBARN-GPNASLBKSA-N 0 0 572.101 7.113 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562387 554418361 /nfs/dbraw/zinc/41/83/61/554418361.db2.gz SJHXCFXLHWTTSX-MUAVYFROSA-N 0 0 576.918 7.250 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562391 554418744 /nfs/dbraw/zinc/41/87/44/554418744.db2.gz SJHXCFXLHWTTSX-BTYSJIOQSA-N 0 0 576.918 7.250 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000100569351 554421047 /nfs/dbraw/zinc/42/10/47/554421047.db2.gz PQNWKMYWHWDIKJ-VHRGECNRSA-N 0 0 629.753 7.430 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100570163 554421587 /nfs/dbraw/zinc/42/15/87/554421587.db2.gz FDQUAYDECXUWGY-SXKCLOSDSA-N 0 0 585.560 5.381 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100569948 554421624 /nfs/dbraw/zinc/42/16/24/554421624.db2.gz KXDXSHACHUAQFM-WPLMXXOSSA-N 0 0 533.650 5.306 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100570099 554421640 /nfs/dbraw/zinc/42/16/40/554421640.db2.gz JZHJUCHRBUVFJB-IMTFRNHLSA-N 0 0 588.513 6.222 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000100572029 554422069 /nfs/dbraw/zinc/42/20/69/554422069.db2.gz LZLPVLHJCAXHIX-WLMPYFOXSA-N 0 0 615.726 7.258 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100573297 554422095 /nfs/dbraw/zinc/42/20/95/554422095.db2.gz HMSLXYWQUMROCC-PRAQEBQASA-N 0 0 603.027 5.961 50 30 KKEARN CCCCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000100571438 554422142 /nfs/dbraw/zinc/42/21/42/554422142.db2.gz VLVCTGMTYFZCAX-UHFFFAOYSA-N 0 0 552.691 5.586 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000100575938 554423325 /nfs/dbraw/zinc/42/33/25/554423325.db2.gz SWVPUIXWWBFFLM-GKVSMKOHSA-N 0 0 562.515 6.366 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100575911 554423415 /nfs/dbraw/zinc/42/34/15/554423415.db2.gz KADXRKNJWRAPRV-ZOYWYXQUSA-N 0 0 572.101 7.242 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000100579375 554424445 /nfs/dbraw/zinc/42/44/45/554424445.db2.gz MGLBASKIJQATJT-GOXGLGGOSA-N 0 0 542.720 6.779 50 30 KKEARN Ic1cccc(CN=Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000059696287 554425383 /nfs/dbraw/zinc/42/53/83/554425383.db2.gz JMEJTSRAQUFNOP-TURZUDJPSA-N 0 0 577.430 5.229 50 30 in-vitro KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000059706227 554425790 /nfs/dbraw/zinc/42/57/90/554425790.db2.gz ZBWHRGVLIAAWEL-LYZGTLIUSA-N 0 0 538.040 5.835 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000059706353 554425936 /nfs/dbraw/zinc/42/59/36/554425936.db2.gz ULPLNEXWCWLBSI-ACSYHNTCSA-N 0 0 566.094 6.690 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000059706303 554425941 /nfs/dbraw/zinc/42/59/41/554425941.db2.gz MREUJAHYIJDZSX-SMSORMJASA-N 0 0 618.524 6.537 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000059706346 554425989 /nfs/dbraw/zinc/42/59/89/554425989.db2.gz ULPLNEXWCWLBSI-WRONEBCDSA-N 0 0 566.094 6.690 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100588000 554427427 /nfs/dbraw/zinc/42/74/27/554427427.db2.gz OKHONEOBQLADDU-SMSORMJASA-N 0 0 549.664 5.814 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100588006 554427478 /nfs/dbraw/zinc/42/74/78/554427478.db2.gz OKHONEOBQLADDU-YKGWIAGDSA-N 0 0 549.664 5.814 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000100588178 554427587 /nfs/dbraw/zinc/42/75/87/554427587.db2.gz ZYYMUUKTKOCKRO-XRHLQHRESA-N 0 0 586.479 5.026 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000059736056 554427589 /nfs/dbraw/zinc/42/75/89/554427589.db2.gz JUFFINRUMGEZRW-RUZDIDTESA-N 0 0 570.480 5.780 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000100588182 554427644 /nfs/dbraw/zinc/42/76/44/554427644.db2.gz ZYYMUUKTKOCKRO-DNOBIOAJSA-N 0 0 586.479 5.026 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588311 554427990 /nfs/dbraw/zinc/42/79/90/554427990.db2.gz RDPGDHVHHQKNHS-PUAOIOHZSA-N 0 0 572.452 5.105 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100588226 554428037 /nfs/dbraw/zinc/42/80/37/554428037.db2.gz FEQVRHCKIQXNLJ-MYUZEXMDSA-N 0 0 570.480 5.790 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000059771364 554428649 /nfs/dbraw/zinc/42/86/49/554428649.db2.gz NDUOOCMERUCWRN-UHFFFAOYSA-N 0 0 522.414 5.422 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(OCC(F)(F)F)cc(OCC(F)(F)F)c3)n2)cc1 ZINC000100607885 554432305 /nfs/dbraw/zinc/43/23/05/554432305.db2.gz BUCVZKPZARRRAR-UHFFFAOYSA-N 0 0 615.474 6.784 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n21 ZINC000100619031 554434139 /nfs/dbraw/zinc/43/41/39/554434139.db2.gz KWJDXLFAMNRXIQ-VEOKEAFVSA-N 0 0 608.691 5.713 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650419 554437077 /nfs/dbraw/zinc/43/70/77/554437077.db2.gz DKCRBDOWUHAKJR-OAQYLSRUSA-N 0 0 545.275 5.849 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)cc1 ZINC000100658710 554438228 /nfs/dbraw/zinc/43/82/28/554438228.db2.gz BWTNMGSHSWIPRF-UHFFFAOYSA-N 0 0 559.231 5.335 50 30 KKEARN CCOC(=O)[C@@H](C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[N+](=O)[O-] ZINC000100660855 554438605 /nfs/dbraw/zinc/43/86/05/554438605.db2.gz CZJGKIFOVQVZDU-AREMUKBSSA-N 0 0 555.756 7.628 50 30 KKEARN N#Cc1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nsc1SCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000100665647 554439976 /nfs/dbraw/zinc/43/99/76/554439976.db2.gz OSNOUVMTJQIPPB-UHFFFAOYSA-N 0 0 608.781 5.513 50 30 KKEARN C=CCO/N=C(\CCCCCCCCCCCCCCCCC)[C@@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100668511 554440485 /nfs/dbraw/zinc/44/04/85/554440485.db2.gz ZTOMWHHYNGADAO-JGOIYTFKSA-N 0 0 519.767 7.780 50 30 KKEARN C=CCO/N=C(\CCCCCCCCCCCCCCCCC)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100668508 554440497 /nfs/dbraw/zinc/44/04/97/554440497.db2.gz ZTOMWHHYNGADAO-MJPFRLKCSA-N 0 0 519.767 7.780 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669464 554440665 /nfs/dbraw/zinc/44/06/65/554440665.db2.gz VUINUBTWTQASKR-AFMDSPMNSA-N 0 0 532.413 5.984 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000100669678 554440699 /nfs/dbraw/zinc/44/06/99/554440699.db2.gz KFSBDFPFQFPWQD-WRONEBCDSA-N 0 0 542.607 5.852 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc(Br)c1 ZINC000100673848 554442324 /nfs/dbraw/zinc/44/23/24/554442324.db2.gz MUZUFURXRCREBI-DCEDVJGZSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100673985 554442535 /nfs/dbraw/zinc/44/25/35/554442535.db2.gz GFPALQJHYIMBPL-IEZKXTBUSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100673979 554442574 /nfs/dbraw/zinc/44/25/74/554442574.db2.gz GFPALQJHYIMBPL-GVXSCFBNSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674099 554442578 /nfs/dbraw/zinc/44/25/78/554442578.db2.gz URNFQEMZFRRMRL-SKTNCWGXSA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100674256 554442840 /nfs/dbraw/zinc/44/28/40/554442840.db2.gz GJLPHFLTOMXGTC-NIJXNBFTSA-N 0 0 558.458 5.716 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000100674632 554443260 /nfs/dbraw/zinc/44/32/60/554443260.db2.gz PINMMARQMWYBBO-SSEXGKCCSA-N 0 0 543.660 6.368 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100675297 554443706 /nfs/dbraw/zinc/44/37/06/554443706.db2.gz MDWLEDUBHLDRBT-MHZLTWQESA-N 0 0 590.742 7.350 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100679729 554445707 /nfs/dbraw/zinc/44/57/07/554445707.db2.gz XWEJUKPOAWWIBU-RUZDIDTESA-N 0 0 562.688 6.713 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100679896 554445719 /nfs/dbraw/zinc/44/57/19/554445719.db2.gz ZSMUZEZVWQZYGD-DEOSSOPVSA-N 0 0 548.661 6.152 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100680259 554446043 /nfs/dbraw/zinc/44/60/43/554446043.db2.gz MNYDDVNGEBQEQH-HSZRJFAPSA-N 0 0 534.634 5.762 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100680377 554446354 /nfs/dbraw/zinc/44/63/54/554446354.db2.gz MEFJPUUHPPBDOZ-SANMLTNESA-N 0 0 574.699 6.880 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100680288 554446469 /nfs/dbraw/zinc/44/64/69/554446469.db2.gz LQDUCKHNDXZFAF-VWLOTQADSA-N 0 0 576.715 6.888 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100680708 554446797 /nfs/dbraw/zinc/44/67/97/554446797.db2.gz MZUOWRPJWWECRP-XMMPIXPASA-N 0 0 548.661 6.323 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100680711 554446857 /nfs/dbraw/zinc/44/68/57/554446857.db2.gz MZUOWRPJWWECRP-DEOSSOPVSA-N 0 0 548.661 6.323 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000100681241 554447518 /nfs/dbraw/zinc/44/75/18/554447518.db2.gz KQESSCWFGNXWHS-GDLZYMKVSA-N 0 0 547.648 6.815 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000059844549 554448047 /nfs/dbraw/zinc/44/80/47/554448047.db2.gz IMODBXUNSJNCNZ-CRICUBBOSA-N 0 0 556.453 5.485 50 30 KKEARN CCOc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000100689631 554449465 /nfs/dbraw/zinc/44/94/65/554449465.db2.gz FAUZMOASVCCDBJ-UHFFFAOYSA-N 0 0 527.506 6.477 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000100693447 554450523 /nfs/dbraw/zinc/45/05/23/554450523.db2.gz BCLZXYAPMHGUCZ-SANMLTNESA-N 0 0 569.079 8.843 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000100701562 554451697 /nfs/dbraw/zinc/45/16/97/554451697.db2.gz ZVNBSARXXYNUEB-QHCPKHFHSA-N 0 0 537.041 8.103 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)c2ccc([N+](=O)[O-])cc2)c1=N ZINC000100700869 554451703 /nfs/dbraw/zinc/45/17/03/554451703.db2.gz YKSQMQSXGPWPRH-UHFFFAOYSA-N 0 0 520.718 8.195 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100701557 554451715 /nfs/dbraw/zinc/45/17/15/554451715.db2.gz RKTPESRLLUFWJE-QFIPXVFZSA-N 0 0 523.014 7.795 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl ZINC000100703506 554452493 /nfs/dbraw/zinc/45/24/93/554452493.db2.gz RXQVEHUUMPUQSE-LJQANCHMSA-N 0 0 527.994 5.990 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000100704792 554452790 /nfs/dbraw/zinc/45/27/90/554452790.db2.gz CJBZEZPECCJHLV-CHJDUVSTSA-N 0 0 549.664 5.434 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1OC)C(Cl)(Cl)Cl ZINC000100703523 554452793 /nfs/dbraw/zinc/45/27/93/554452793.db2.gz SURLOVSPHSRNOZ-XMMPIXPASA-N 0 0 612.064 8.184 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000100704799 554452798 /nfs/dbraw/zinc/45/27/98/554452798.db2.gz CJBZEZPECCJHLV-SMSORMJASA-N 0 0 549.664 5.434 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000100704629 554452808 /nfs/dbraw/zinc/45/28/08/554452808.db2.gz UPGDPHFLEWIHCA-CHJDUVSTSA-N 0 0 547.717 6.663 50 30 KKEARN O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000100706577 554453052 /nfs/dbraw/zinc/45/30/52/554453052.db2.gz MGLKLLCVVNNSNT-YYADALCUSA-N 0 0 524.356 5.808 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Br)cc3)n1C1CCCCC1)-c1ccccc1CC21CCCCC1 ZINC000100708987 554453353 /nfs/dbraw/zinc/45/33/53/554453353.db2.gz HMUHOPWCVTURKW-UZWMFBFFSA-N 0 0 545.525 7.382 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CCCC)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000100710601 554453606 /nfs/dbraw/zinc/45/36/06/554453606.db2.gz GVHLEUAZCGCKTC-SQAZEOOISA-N 0 0 548.665 5.699 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728558 554458765 /nfs/dbraw/zinc/45/87/65/554458765.db2.gz GOTUGELRNGXUFK-HYAJJASKSA-N 0 0 549.117 6.351 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100732426 554460236 /nfs/dbraw/zinc/46/02/36/554460236.db2.gz URNFQEMZFRRMRL-SZSRMMGRSA-N 0 0 625.718 5.997 50 30 KKEARN COc1ccc(N/N=C(/Sc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)c2cccc(Br)c2)cc1 ZINC000100732776 554460808 /nfs/dbraw/zinc/46/08/08/554460808.db2.gz SZLMWGSTVJPTTK-HPNDGRJYSA-N 0 0 554.382 5.817 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000100735998 554461179 /nfs/dbraw/zinc/46/11/79/554461179.db2.gz DAUYJNPYEFWRIB-UHFFFAOYSA-N 0 0 599.307 11.585 50 30 KKEARN C=CCc1ccc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(CCC)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000100737449 554461614 /nfs/dbraw/zinc/46/16/14/554461614.db2.gz QDTWBNAVWSBSND-ULMBEPPZSA-N 0 0 541.677 6.185 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000100741012 554462859 /nfs/dbraw/zinc/46/28/59/554462859.db2.gz QSNHXQMLDAFBAE-UHFFFAOYSA-N 0 0 574.475 5.995 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000100746032 554464353 /nfs/dbraw/zinc/46/43/53/554464353.db2.gz XOZYWRCICNYMTF-PQRKSKNISA-N 0 0 539.701 5.371 50 30 KKEARN CCOC(=O)/C(=N\Nc1ccccc1C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100777055 554472209 /nfs/dbraw/zinc/47/22/09/554472209.db2.gz YIFBPEZGCNVBKY-JJKYIXSRSA-N 0 0 526.449 6.630 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3)C2=O)SC1=S ZINC000100797011 554473907 /nfs/dbraw/zinc/47/39/07/554473907.db2.gz VKIGASIEJUFZQD-VHXPQNKSSA-N 0 0 507.681 5.604 50 30 KKEARN CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100814964 554475809 /nfs/dbraw/zinc/47/58/09/554475809.db2.gz CYBJKYIMJQTQFW-JLOXLNJMSA-N 0 0 581.554 8.485 50 30 KKEARN CCCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100814996 554476200 /nfs/dbraw/zinc/47/62/00/554476200.db2.gz VRLAZNVOXSQFKU-WROFDHFLSA-N 0 0 595.581 8.875 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)/C(=N/c3ccc(OCC)cc3)S2)cc1 ZINC000100831266 554482484 /nfs/dbraw/zinc/48/24/84/554482484.db2.gz UWMCURYTFICJKK-FPVUOMKESA-N 0 0 561.660 5.826 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)/C(=N/c3ccc(OCC)cc3)S2)cc1 ZINC000100831265 554482602 /nfs/dbraw/zinc/48/26/02/554482602.db2.gz UWMCURYTFICJKK-SKCJHTIKSA-N 0 0 561.660 5.826 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000100838899 554486696 /nfs/dbraw/zinc/48/66/96/554486696.db2.gz DOEGMSJFNAQAEH-SWKFRHMKSA-N 0 0 567.780 8.290 50 30 KKEARN CCCCCCCCCCCCCCCCN(C(C)=O)c1cccc(-c2cc(=O)n(-c3ccccc3)n2C)c1 ZINC000100854458 554493355 /nfs/dbraw/zinc/49/33/55/554493355.db2.gz SPTFQWBKOUWPFH-UHFFFAOYSA-N 0 0 531.785 8.677 50 30 KKEARN CCCCCCCCCCCCCCCCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000100854057 554493444 /nfs/dbraw/zinc/49/34/44/554493444.db2.gz MGOKDKMFYGHVGR-UHFFFAOYSA-N 0 0 520.824 8.450 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000100859784 554494390 /nfs/dbraw/zinc/49/43/90/554494390.db2.gz FPHUZMLSEPIFJC-QPPCPWFDSA-N 0 0 543.417 5.391 50 30 KKEARN CCn1cc(/C=N/N=c2/cc(-c3ccccc3)c3cc4c(-c5ccccc5)coc4c(C)c3o2)c2cc(OC)ccc21 ZINC000060045073 554497739 /nfs/dbraw/zinc/49/77/39/554497739.db2.gz YVLRWIHNPWZUHW-KCZDTKQLSA-N 0 0 551.646 8.739 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)SC1=S ZINC000100870823 554498393 /nfs/dbraw/zinc/49/83/93/554498393.db2.gz PQUVJBQLPMDNRC-VHXPQNKSSA-N 0 0 507.681 5.522 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C2=O)SC1=S ZINC000100870913 554498436 /nfs/dbraw/zinc/49/84/36/554498436.db2.gz AIWNFYLUNLEODK-IZHYLOQSSA-N 0 0 521.708 5.831 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000100871653 554499631 /nfs/dbraw/zinc/49/96/31/554499631.db2.gz MBHMKRITKQYVBT-IADYIPOJSA-N 0 0 596.262 9.323 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)cccc3C)C2=O)SC1=S ZINC000100872050 554500250 /nfs/dbraw/zinc/50/02/50/554500250.db2.gz RKIXBBOLJPPVGB-LCUIJRPUSA-N 0 0 535.735 6.221 50 30 KKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100874327 554503102 /nfs/dbraw/zinc/50/31/02/554503102.db2.gz XQUBFQUWGFCFLA-SGEDCAFJSA-N 0 0 568.518 5.534 50 30 KKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000060272575 554504587 /nfs/dbraw/zinc/50/45/87/554504587.db2.gz LWRNQOBXRHWPGE-LAMMAJBHSA-N 0 0 512.081 6.148 50 30 KKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]21F ZINC000060272571 554504625 /nfs/dbraw/zinc/50/46/25/554504625.db2.gz LWRNQOBXRHWPGE-RBVZJJKUSA-N 0 0 512.081 6.148 50 30 KKEARN OCc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000060272319 554504681 /nfs/dbraw/zinc/50/46/81/554504681.db2.gz CQOQAOKSHAECHG-UHFFFAOYSA-N 0 0 554.240 7.121 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000100888946 554510291 /nfs/dbraw/zinc/51/02/91/554510291.db2.gz SCKCILJTDNSLDV-UHFFFAOYSA-N 0 0 586.160 6.422 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)c(OC)c1 ZINC000100890854 554512050 /nfs/dbraw/zinc/51/20/50/554512050.db2.gz JZCLFERVCFNPRO-VHAJMIGMSA-N 0 0 530.528 5.063 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2OCCOc2ccc(Br)cc2)cc1 ZINC000100892100 554512310 /nfs/dbraw/zinc/51/23/10/554512310.db2.gz ZOSAICYAFCYDNH-DHRITJCHSA-N 0 0 525.186 6.568 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1OC ZINC000100906611 554515910 /nfs/dbraw/zinc/51/59/10/554515910.db2.gz WRZMGSUHJVQIPC-PLRJNAJWSA-N 0 0 505.684 6.021 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1OC ZINC000100911176 554517567 /nfs/dbraw/zinc/51/75/67/554517567.db2.gz LITZQASLFUGVAT-HAHDFKILSA-N 0 0 532.493 6.420 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000100912449 554517975 /nfs/dbraw/zinc/51/79/75/554517975.db2.gz XIIUITUTACKDCS-UHFFFAOYSA-N 0 0 549.678 6.008 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC ZINC000100913988 554519355 /nfs/dbraw/zinc/51/93/55/554519355.db2.gz TUHIHQIALWLDSE-FAJYDZGRSA-N 0 0 538.713 7.386 50 30 KKEARN N#Cc1cnn2c1ncc1c(C=CNc3cccc(Oc4ncc(C(F)(F)F)cc4Cl)c3)nccc12 ZINC000100913938 554519374 /nfs/dbraw/zinc/51/93/74/554519374.db2.gz QFAISSWITGKRBU-XQRVVYSFSA-N 0 0 507.863 6.091 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000100918035 554520262 /nfs/dbraw/zinc/52/02/62/554520262.db2.gz QIVNLUMCIFQEHG-SKCUWOTOSA-N 0 0 565.688 5.148 50 30 KKEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc(OC)c1OC ZINC000065165032 554525707 /nfs/dbraw/zinc/52/57/07/554525707.db2.gz XRRYDNVLYROSGQ-QHCPKHFHSA-N 0 0 506.628 5.254 50 30 KKEARN COc1ccc(CCNC2=C(C(=O)Nc3cccc(C(F)(F)F)c3)C(=O)C[C@@H](c3ccccc3)C2)cc1OC ZINC000100937708 554531383 /nfs/dbraw/zinc/53/13/83/554531383.db2.gz XMVLQEBWPDHOGH-NRFANRHFSA-N 0 0 538.566 5.894 50 30 KKEARN COC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000100948155 554536472 /nfs/dbraw/zinc/53/64/72/554536472.db2.gz BHXJIFVEQJHUBX-JBASAIQMSA-N 0 0 546.867 6.644 50 30 KKEARN C=CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068562689 554538775 /nfs/dbraw/zinc/53/87/75/554538775.db2.gz DCARDCAPXKDJAG-UHFFFAOYSA-N 0 0 504.136 5.725 50 30 KKEARN CCOc1cc(/C=N\c2cccc(-c3nc4cc(C)ccc4o3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100955605 554539150 /nfs/dbraw/zinc/53/91/50/554539150.db2.gz SHLCDJBGHGMQPR-LQNQUEJISA-N 0 0 538.516 7.561 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2F)cc1 ZINC000100980371 554547471 /nfs/dbraw/zinc/54/74/71/554547471.db2.gz JEQWHBVLXSNXOD-MEXAFARESA-N 0 0 549.624 5.214 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000100989303 554549780 /nfs/dbraw/zinc/54/97/80/554549780.db2.gz JWTLGXKBMKTYLG-UHFFFAOYSA-N 0 0 604.983 6.546 50 30 KKEARN CCCCCCCC[C@H](O)c1ccc2c(c1)OCCOCCOc1ccc([C@@H](O)CCCCCCCC)cc1OCCOCCO2 ZINC000101011309 554558054 /nfs/dbraw/zinc/55/80/54/554558054.db2.gz LRQDDDXIBBXZBZ-HEVIKAOCSA-N 0 0 644.890 8.517 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O ZINC000101015245 554559720 /nfs/dbraw/zinc/55/97/20/554559720.db2.gz UBKKSCZJYACUNB-NKFKGCMQSA-N 0 0 536.723 5.877 50 30 KKEARN CC1(C)C(=O)/C=C\C(=O)C(C)(C)[C@@]23CC[C@@](O2)(c2ccccc23)C(C)(C)C(=O)/C=C\C(=O)C(C)(C)[C@@]23CC[C@@]1(O2)c1ccccc13 ZINC000101016011 554560177 /nfs/dbraw/zinc/56/01/77/554560177.db2.gz KBRNEYQXHMOIJA-AUKFHNDESA-N 0 0 620.786 7.323 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000101016951 554560603 /nfs/dbraw/zinc/56/06/03/554560603.db2.gz SPEGIFUVVSYECE-UHFFFAOYSA-N 0 0 572.261 6.104 50 30 KKEARN Clc1c(Cl)c(Cl)c(C#Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl ZINC000101019906 554561332 /nfs/dbraw/zinc/56/13/32/554561332.db2.gz YPXDNHJWDKFUNW-UHFFFAOYSA-N 0 0 522.684 9.620 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC ZINC000101025577 554563544 /nfs/dbraw/zinc/56/35/44/554563544.db2.gz CGHMBMJQQSKYRO-LMKMVOKYSA-N 0 0 561.689 5.468 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101060231 554570222 /nfs/dbraw/zinc/57/02/22/554570222.db2.gz UARRLMHSMRBBNJ-IVCQMTBJSA-N 0 0 532.463 6.669 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101062462 554570367 /nfs/dbraw/zinc/57/03/67/554570367.db2.gz WEFIOPFPKBZFBG-AYWGPLOBSA-N 0 0 508.416 5.281 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069794 554574458 /nfs/dbraw/zinc/57/44/58/554574458.db2.gz XBQQTKAEKDEPEB-MRJHHRETSA-N 0 0 505.393 5.994 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000101072465 554576288 /nfs/dbraw/zinc/57/62/88/554576288.db2.gz RWTIGBZTCSVCTM-TXTDGAROSA-N 0 0 569.455 6.353 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072989 554576527 /nfs/dbraw/zinc/57/65/27/554576527.db2.gz QUVMCKCONUXHRG-UVDRRRQGSA-N 0 0 577.456 6.073 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072999 554576592 /nfs/dbraw/zinc/57/65/92/554576592.db2.gz YERGFBURMABQGZ-QOJBNDRUSA-N 0 0 525.449 6.363 50 30 KKEARN O=C1c2ccccc2C(=O)C(N2CCC(Cc3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000101081028 554578736 /nfs/dbraw/zinc/57/87/36/554578736.db2.gz SFXVACQBJNIEIM-JVCXMKTPSA-N 0 0 565.489 5.657 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccccc1C#N ZINC000101083453 554579787 /nfs/dbraw/zinc/57/97/87/554579787.db2.gz ZOENJFJSOJLAMI-CPDSRJINSA-N 0 0 534.414 5.466 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1 ZINC000101090928 554582117 /nfs/dbraw/zinc/58/21/17/554582117.db2.gz ZGTZSGGDBKDTIF-VYVLKNFJSA-N 0 0 527.584 6.513 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101515 554638752 /nfs/dbraw/zinc/63/87/52/554638752.db2.gz OYMKBCJPRIGTDE-AYWGPLOBSA-N 0 0 563.429 5.765 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101658 554638845 /nfs/dbraw/zinc/63/88/45/554638845.db2.gz ZYNBLMOPVCIKHY-QOJBNDRUSA-N 0 0 525.449 6.363 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101105276 554639979 /nfs/dbraw/zinc/63/99/79/554639979.db2.gz BZIKUWKWPBQLIA-IZHDAFQWSA-N 0 0 537.620 5.550 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1C ZINC000101125044 554644859 /nfs/dbraw/zinc/64/48/59/554644859.db2.gz QKCIOJOUYDORMB-LFVJCYFKSA-N 0 0 523.643 5.153 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128371 554646655 /nfs/dbraw/zinc/64/66/55/554646655.db2.gz JRLXFSVHUCENDO-WPUHHHFCSA-N 0 0 581.477 5.540 50 30 KKEARN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C\c1cccc([N+](=O)[O-])c1)=N\NC(=S)NN ZINC000101130948 554650267 /nfs/dbraw/zinc/65/02/67/554650267.db2.gz OHJFKZOIHLPTII-OMSPAQSRSA-N 0 0 580.699 5.635 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccccc5Cl)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101143900 554655434 /nfs/dbraw/zinc/65/54/34/554655434.db2.gz GHRPKYOQHSQXCD-PIMODXEOSA-N 0 0 548.002 6.776 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000101149884 554657092 /nfs/dbraw/zinc/65/70/92/554657092.db2.gz NEGMVIOOPBBPKE-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000101170821 554661762 /nfs/dbraw/zinc/66/17/62/554661762.db2.gz XMQRRHUTFAIZLE-MHZLTWQESA-N 0 0 533.650 5.057 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)c3ccccc3)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101172156 554661969 /nfs/dbraw/zinc/66/19/69/554661969.db2.gz HVRIEIALRAUXHI-UHFFFAOYSA-N 0 0 538.676 7.870 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000101194478 554671846 /nfs/dbraw/zinc/67/18/46/554671846.db2.gz GYTHDJKLFPWATA-RBTNQOKQSA-N 0 0 537.678 5.367 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000101202277 554672956 /nfs/dbraw/zinc/67/29/56/554672956.db2.gz JYCUBAXGZNJDAJ-UHFFFAOYSA-N 0 0 582.766 6.492 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101204518 554674584 /nfs/dbraw/zinc/67/45/84/554674584.db2.gz RCZNHGCSIJHFET-GDJIYFAZSA-N 0 0 600.506 5.416 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101204555 554674600 /nfs/dbraw/zinc/67/46/00/554674600.db2.gz DYABTWZZEFCGBA-GDJIYFAZSA-N 0 0 630.532 5.512 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101204507 554674605 /nfs/dbraw/zinc/67/46/05/554674605.db2.gz VUSFXZSLIZCAHC-JIYROHSKSA-N 0 0 589.685 5.875 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101204783 554674940 /nfs/dbraw/zinc/67/49/40/554674940.db2.gz DVCFZRYMEBUMPV-NYFMKLKXSA-N 0 0 567.682 6.598 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204816 554674951 /nfs/dbraw/zinc/67/49/51/554674951.db2.gz QCNTUMCXBXJXGV-HPMVVLTCSA-N 0 0 567.682 6.598 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000101207583 554677100 /nfs/dbraw/zinc/67/71/00/554677100.db2.gz LDONXLJXDDIFQM-SANMLTNESA-N 0 0 538.113 6.750 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000101207591 554677106 /nfs/dbraw/zinc/67/71/06/554677106.db2.gz KTAATDJDVACAHY-QHCPKHFHSA-N 0 0 530.477 6.280 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(Br)c1 ZINC000101209959 554678687 /nfs/dbraw/zinc/67/86/87/554678687.db2.gz OZMHUOJODMYHIW-HSZRJFAPSA-N 0 0 559.913 5.997 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101210059 554678749 /nfs/dbraw/zinc/67/87/49/554678749.db2.gz QCWHVFVBAGJMOQ-UHFFFAOYSA-N 0 0 534.081 5.696 50 30 KKEARN C=CCN(C(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccccc3Cl)c2c1N)c1ccccc1 ZINC000101211018 554679492 /nfs/dbraw/zinc/67/94/92/554679492.db2.gz ZVRQJJNJHAXDLT-UHFFFAOYSA-N 0 0 581.141 8.209 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212741 554679982 /nfs/dbraw/zinc/67/99/82/554679982.db2.gz GFFVWMUFOXNOCM-QYTMHSNXSA-N 0 0 611.735 6.613 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212798 554680002 /nfs/dbraw/zinc/68/00/02/554680002.db2.gz BSGSUWRYXDBSPH-GDJIYFAZSA-N 0 0 630.532 5.425 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212971 554680245 /nfs/dbraw/zinc/68/02/45/554680245.db2.gz DDCIXWPFRNXVHM-FOPBOCKXSA-N 0 0 581.709 6.988 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101218061 554685008 /nfs/dbraw/zinc/68/50/08/554685008.db2.gz VFLPXDZBAUMZLZ-AFJIDDCJSA-N 0 0 628.560 6.434 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218488 554685632 /nfs/dbraw/zinc/68/56/32/554685632.db2.gz NNKKXJQHHVEPOD-XMMPIXPASA-N 0 0 531.099 5.092 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218774 554685938 /nfs/dbraw/zinc/68/59/38/554685938.db2.gz AZVQQUFIYRJIDP-UHFFFAOYSA-N 0 0 567.067 5.025 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101220633 554686583 /nfs/dbraw/zinc/68/65/83/554686583.db2.gz YDLKXNUOYMRMNH-WHLCRQNOSA-N 0 0 630.532 5.425 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220615 554686601 /nfs/dbraw/zinc/68/66/01/554686601.db2.gz ZFHOCKXJIOXHCX-OOXUFLSTSA-N 0 0 611.691 6.133 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220624 554686630 /nfs/dbraw/zinc/68/66/30/554686630.db2.gz ZFHOCKXJIOXHCX-JKFCTSDTSA-N 0 0 611.691 6.133 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220766 554686836 /nfs/dbraw/zinc/68/68/36/554686836.db2.gz YCVNKPFUCPWEJB-CAQRMWTPSA-N 0 0 589.729 6.739 50 30 KKEARN C=CCN1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3cccc(F)c3)N(C(=O)C(C)C)CC4)o2)CC1 ZINC000101250145 554694065 /nfs/dbraw/zinc/69/40/65/554694065.db2.gz FOFDZMKMUIUNME-SSEXGKCCSA-N 0 0 545.655 5.072 50 30 KKEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(Cn4nc(C)cc4C)c3)C2=O)cc1Cn1nc(C)cc1C ZINC000101257716 554697025 /nfs/dbraw/zinc/69/70/25/554697025.db2.gz SIQQXHAHOFXBAC-LPHFKDDMSA-N 0 0 550.703 6.647 50 30 KKEARN O=C1/C(=C/c2ccc(F)c(Br)c2)CC(c2ccccc2)C/C1=C\c1ccc(F)c(Br)c1 ZINC000101257807 554697072 /nfs/dbraw/zinc/69/70/72/554697072.db2.gz BCWYFYMIYKNEQV-CLVAPQHMSA-N 0 0 544.233 8.104 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccco2)cc1 ZINC000101273545 554701892 /nfs/dbraw/zinc/70/18/92/554701892.db2.gz WHICVGKEUWUGOU-VUVCMLNUSA-N 0 0 547.575 5.447 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276790 554703211 /nfs/dbraw/zinc/70/32/11/554703211.db2.gz BGIIRRBXPGSAHO-NSOCNUKWSA-N 0 0 616.692 5.708 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277729 554704278 /nfs/dbraw/zinc/70/42/78/554704278.db2.gz RLGDCJMKYZHUEJ-OTQMSCLFSA-N 0 0 558.656 5.867 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000101288083 554706578 /nfs/dbraw/zinc/70/65/78/554706578.db2.gz JVQCQWGHJKUPIF-NDEPHWFRSA-N 0 0 576.638 6.823 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294243 554710887 /nfs/dbraw/zinc/71/08/87/554710887.db2.gz MZFYKDGBAYVSFI-RFAFYKRUSA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294354 554711189 /nfs/dbraw/zinc/71/11/89/554711189.db2.gz GZILASWIQHQPMP-ONQGDUAMSA-N 0 0 570.623 5.657 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294263 554711253 /nfs/dbraw/zinc/71/12/53/554711253.db2.gz IYUDZHPKSBRVPZ-XTUFCYCQSA-N 0 0 568.651 6.210 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000101294906 554711564 /nfs/dbraw/zinc/71/15/64/554711564.db2.gz SMQHDQSXERDKSB-QHCPKHFHSA-N 0 0 553.482 5.682 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccc(F)cc4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000101294950 554711809 /nfs/dbraw/zinc/71/18/09/554711809.db2.gz CMMJICFLCYIEMG-QFIPXVFZSA-N 0 0 541.446 5.813 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4c(C(=O)Nc5ccccc5)cnn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000101297875 554712491 /nfs/dbraw/zinc/71/24/91/554712491.db2.gz NXKKFKMPNQUNPN-RCRUUEGKSA-N 0 0 534.616 5.877 50 30 KKEARN COc1cc2nc(SCc3ccc(C#N)cc3)n3nc(CCn4c(C)nc5ccccc54)nc3c2cc1OC ZINC000101308352 554716592 /nfs/dbraw/zinc/71/65/92/554716592.db2.gz JFLOMMIQKKYRBL-UHFFFAOYSA-N 0 0 535.633 5.360 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310204 554717033 /nfs/dbraw/zinc/71/70/33/554717033.db2.gz VGWOQQFMNLPLFT-ICQXDZJJSA-N 0 0 539.628 5.638 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310209 554717057 /nfs/dbraw/zinc/71/70/57/554717057.db2.gz CSDLTQKYWIWAJG-QJGFIUGVSA-N 0 0 525.601 5.595 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310299 554717573 /nfs/dbraw/zinc/71/75/73/554717573.db2.gz UYDCIPAVGVGJBP-YZUJGMDRSA-N 0 0 612.704 6.608 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313252 554721691 /nfs/dbraw/zinc/72/16/91/554721691.db2.gz DPFALXPUURIMSH-XXASTYAFSA-N 0 0 540.641 6.421 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(OC)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12c1ccccc1NC2=O ZINC000101318644 554725906 /nfs/dbraw/zinc/72/59/06/554725906.db2.gz XQCJEMARDAQIGG-RPWYQEBTSA-N 0 0 582.656 6.242 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C)cc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101335551 554734308 /nfs/dbraw/zinc/73/43/08/554734308.db2.gz DBIROYAQQCZYOU-FPQJKWOGSA-N 0 0 527.588 5.763 50 30 KKEARN C=CCn1c2nc3ccccn3c(=O)c2cc(-c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccccc3)s2)c1=N ZINC000101344465 554736840 /nfs/dbraw/zinc/73/68/40/554736840.db2.gz VTFRGHWCEWOQME-UHFFFAOYSA-N 0 0 544.640 5.666 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000101363612 554743543 /nfs/dbraw/zinc/74/35/43/554743543.db2.gz YEECSIMMDTXKEP-UHFFFAOYSA-N 0 0 526.687 7.008 50 30 KKEARN C=CCn1c(SCc2cc(Cl)ccc2Cl)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367788 554743996 /nfs/dbraw/zinc/74/39/96/554743996.db2.gz SPHYPCMNTMWDNY-UHFFFAOYSA-N 0 0 593.536 7.971 50 30 KKEARN C=CCn1c(SCc2cc(C(F)(F)F)ccc2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367808 554744222 /nfs/dbraw/zinc/74/42/22/554744222.db2.gz QZLYDAOZRCSKTO-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367843 554744227 /nfs/dbraw/zinc/74/42/27/554744227.db2.gz IMWKBMBUHPMGQV-UHFFFAOYSA-N 0 0 592.643 7.683 50 30 KKEARN C=CCn1c(SCc2ccc(F)cc2C(F)(F)F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367828 554744272 /nfs/dbraw/zinc/74/42/72/554744272.db2.gz UHNFYMNWVAALME-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN COc1cc2c(cc1OC)-c1cc(-c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(C#N)c(=N)n1CC2 ZINC000101376552 554746335 /nfs/dbraw/zinc/74/63/35/554746335.db2.gz SNBMKANTLRYHNZ-UHFFFAOYSA-N 0 0 502.914 5.568 50 30 KKEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000101375736 554746399 /nfs/dbraw/zinc/74/63/99/554746399.db2.gz RBGJGRQOPILXJS-BKUYFWCQSA-N 0 0 548.532 7.838 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2cccc([N+](=O)[O-])c2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000101376791 554746678 /nfs/dbraw/zinc/74/66/78/554746678.db2.gz GZQOJAFQSYZRSS-FJEPWZHXSA-N 0 0 565.519 6.285 50 30 KKEARN C/C(=N\OCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)c1ccc(C)cc1 ZINC000101387197 554753200 /nfs/dbraw/zinc/75/32/00/554753200.db2.gz NSDQCUJLEZKEQT-DZTJYMNTSA-N 0 0 538.651 7.430 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5Br)nc4c3)o2)c1 ZINC000101414889 554764482 /nfs/dbraw/zinc/76/44/82/554764482.db2.gz FYVLTOYLXRIWGE-UVHMKAGCSA-N 0 0 522.742 7.830 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OCC)c(OC)c1 ZINC000101424034 554767982 /nfs/dbraw/zinc/76/79/82/554767982.db2.gz MIURQSKPMFGNFJ-HJAFVQIGSA-N 0 0 538.000 5.384 50 30 KKEARN C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCc4[nH]cnc4[C@@H]3c3ccc(OC)cc3)c(C)c2cc1Cl ZINC000101475554 554782025 /nfs/dbraw/zinc/78/20/25/554782025.db2.gz GSANUCDVPCCTHV-NDEPHWFRSA-N 0 0 534.012 5.158 50 30 KKEARN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000101489716 554785781 /nfs/dbraw/zinc/78/57/81/554785781.db2.gz NLNGEZUYPUZVNH-BJQJZRBTSA-N 0 0 572.702 6.794 50 30 KKEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000101635620 554812889 /nfs/dbraw/zinc/81/28/89/554812889.db2.gz XZVBBIKWWCKRPC-FMCGGJTJSA-N 0 0 550.390 6.044 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000101641659 554814470 /nfs/dbraw/zinc/81/44/70/554814470.db2.gz KMYVNIRAPYPYIF-OSKSLMEKSA-N 0 0 508.058 6.832 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000101643471 554814662 /nfs/dbraw/zinc/81/46/62/554814662.db2.gz KFSXTXBQKBPDCH-FJLHWALTSA-N 0 0 538.084 6.841 50 30 KKEARN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000101682449 554828477 /nfs/dbraw/zinc/82/84/77/554828477.db2.gz GUBUYRVIPBLGQM-WGOQTCKBSA-N 0 0 570.602 5.141 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Oc3ccccc3)cc1)CC1(CCCCC1)O2 ZINC000101680837 554828500 /nfs/dbraw/zinc/82/85/00/554828500.db2.gz QKUYDHXQHFWSRA-MUGXBBEHSA-N 0 0 559.688 6.597 50 30 KKEARN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000101713432 554832094 /nfs/dbraw/zinc/83/20/94/554832094.db2.gz UCOAXOQYYNCFTM-WGOQTCKBSA-N 0 0 570.602 5.141 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000101735333 554833736 /nfs/dbraw/zinc/83/37/36/554833736.db2.gz UGLCTPOJXRTHEI-GRZWGJMNSA-N 0 0 593.705 8.225 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000101891382 554846445 /nfs/dbraw/zinc/84/64/45/554846445.db2.gz MIMDHFCIKGMUQT-VLCQYKRPSA-N 0 0 529.584 7.829 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cc(Br)ccc1O ZINC000102047908 554870443 /nfs/dbraw/zinc/87/04/43/554870443.db2.gz IZUGUTBOFWNZAF-FPTDNZKUSA-N 0 0 534.435 5.653 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000102051008 554871169 /nfs/dbraw/zinc/87/11/69/554871169.db2.gz KNOAWJIWHZDSKF-KMRXNPHXSA-N 0 0 531.637 6.978 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1OC ZINC000102051848 554871466 /nfs/dbraw/zinc/87/14/66/554871466.db2.gz GITFAFDJDMMGTP-XBBWARJSSA-N 0 0 586.486 6.624 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000102052827 554871887 /nfs/dbraw/zinc/87/18/87/554871887.db2.gz CXIRZCIMYFGSCI-SLQAJWMNSA-N 0 0 583.641 5.167 50 30 KKEARN CCCCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000102056468 554872897 /nfs/dbraw/zinc/87/28/97/554872897.db2.gz DWXTVPMLQOWMMI-UHFFFAOYSA-N 0 0 517.754 9.442 50 30 KKEARN CCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc3c(c2)C(=O)[C@@H](Sc2cccc4cccnc42)C3)C1=O ZINC000102057617 554873067 /nfs/dbraw/zinc/87/30/67/554873067.db2.gz LLBLXBWTJPYQCX-NHZFLZHXSA-N 0 0 612.880 9.885 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076471 554874589 /nfs/dbraw/zinc/87/45/89/554874589.db2.gz DKHAJTRMPUWITN-VTVSLZSGSA-N 0 0 511.618 6.057 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076650 554874783 /nfs/dbraw/zinc/87/47/83/554874783.db2.gz AAULGPJBJLMINA-WMRKGWLDSA-N 0 0 529.637 5.143 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076666 554874836 /nfs/dbraw/zinc/87/48/36/554874836.db2.gz AAULGPJBJLMINA-WZEFDDPJSA-N 0 0 529.637 5.143 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076824 554875098 /nfs/dbraw/zinc/87/50/98/554875098.db2.gz VLQNBEZUFZVMMW-TXTDGAROSA-N 0 0 570.667 6.427 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076753 554875146 /nfs/dbraw/zinc/87/51/46/554875146.db2.gz XYBJIWQEIFLNTQ-WGGXKBPPSA-N 0 0 527.617 5.547 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N ZINC000102139343 554888220 /nfs/dbraw/zinc/88/82/20/554888220.db2.gz USRSFUKDHQNAKL-UHFFFAOYSA-N 0 0 590.975 7.236 50 30 KKEARN N[P@](=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc1ccccc1 ZINC000102141898 554888640 /nfs/dbraw/zinc/88/86/40/554888640.db2.gz SIMOKGGNPKIWBK-HKBQPEDESA-N 0 0 505.167 5.888 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(C(F)(F)F)c3)N(CCc3ccccc3)C1=O)S2 ZINC000102143717 554888929 /nfs/dbraw/zinc/88/89/29/554888929.db2.gz JNYGZPCZXFPQSB-KPNPPYOESA-N 0 0 541.620 6.931 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175155 554891641 /nfs/dbraw/zinc/89/16/41/554891641.db2.gz XZVQOTLDCDQNHY-CJJGVWJISA-N 0 0 561.506 5.481 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)[C@H](c2ccccc2)/C1=C1\C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000102266176 554905394 /nfs/dbraw/zinc/90/53/94/554905394.db2.gz HKQMVEYJUSCHJQ-ZZAPFRSYSA-N 0 0 616.760 10.238 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nnc(-c2ccc(Br)cc2)o1 ZINC000102274536 554906083 /nfs/dbraw/zinc/90/60/83/554906083.db2.gz KOBMYSCUDJFJCR-UHFFFAOYSA-N 0 0 540.487 6.445 50 30 KKEARN N=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(=N/N(c2ccccc2)c2ccccc2)/C1=N/N(c1ccccc1)c1ccccc1 ZINC000102299773 554908211 /nfs/dbraw/zinc/90/82/11/554908211.db2.gz YDHCQDWMFYCQMR-KZBRVMCUSA-N 0 0 566.621 8.032 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1ccc(N(CC)CC)cc1)N1CCOCC1 ZINC000102313245 554910283 /nfs/dbraw/zinc/91/02/83/554910283.db2.gz YWUBMCGGEDCDNG-MVJHLKBCSA-N 0 0 564.881 6.927 50 30 KKEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102368246 554915773 /nfs/dbraw/zinc/91/57/73/554915773.db2.gz NTKLXNZVCBJUFY-SBXHHDGASA-N 0 0 511.405 6.106 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102377670 554918245 /nfs/dbraw/zinc/91/82/45/554918245.db2.gz ZIYWNACIJPVTHP-NXLSWJSLSA-N 0 0 521.411 5.562 50 30 KKEARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000102429201 554926618 /nfs/dbraw/zinc/92/66/18/554926618.db2.gz PGUVADDWMVMXPD-CWTOASCOSA-N 0 0 567.439 5.135 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102440537 554929460 /nfs/dbraw/zinc/92/94/60/554929460.db2.gz WLWQXDYCYJYDDP-CSBHBGLHSA-N 0 0 559.021 5.871 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102446216 554930502 /nfs/dbraw/zinc/93/05/02/554930502.db2.gz NZABCSXLKJIZCG-SATIQFTFSA-N 0 0 597.465 5.144 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102483678 554937758 /nfs/dbraw/zinc/93/77/58/554937758.db2.gz YFXFDBIQVULBQX-CJJGVWJISA-N 0 0 571.512 5.080 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102485310 554937890 /nfs/dbraw/zinc/93/78/90/554937890.db2.gz PCZQPQFVEMUPLC-WENCHWOGSA-N 0 0 532.596 5.606 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102493160 554939707 /nfs/dbraw/zinc/93/97/07/554939707.db2.gz LURQGGUXUZDHOQ-ZAOVDLIJSA-N 0 0 545.635 6.253 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496652 554940856 /nfs/dbraw/zinc/94/08/56/554940856.db2.gz WEIULRDNBMSTQT-ZHHPLPSFSA-N 0 0 521.013 7.013 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102497394 554941309 /nfs/dbraw/zinc/94/13/09/554941309.db2.gz FXTVAIITJVUOSZ-NPJIAGGLSA-N 0 0 560.628 5.656 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102499475 554941859 /nfs/dbraw/zinc/94/18/59/554941859.db2.gz GUTAPRMOZZFNKN-TXTDGAROSA-N 0 0 531.605 5.049 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102503816 554943918 /nfs/dbraw/zinc/94/39/18/554943918.db2.gz JZQXYEVOUFGJNQ-ZORLYMSLSA-N 0 0 554.687 5.280 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102503607 554943952 /nfs/dbraw/zinc/94/39/52/554943952.db2.gz COLGSWUNYBFBOL-AUNXFTLJSA-N 0 0 618.730 6.510 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102504221 554943978 /nfs/dbraw/zinc/94/39/78/554943978.db2.gz OUVHUODCAOBMON-ZORLYMSLSA-N 0 0 548.639 6.983 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102504760 554944317 /nfs/dbraw/zinc/94/43/17/554944317.db2.gz KGVPGJOWSHCUQJ-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000102508715 554945783 /nfs/dbraw/zinc/94/57/83/554945783.db2.gz VAETUBJVTSHTJK-UUALVTFQSA-N 0 0 582.678 6.450 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000102511060 554946277 /nfs/dbraw/zinc/94/62/77/554946277.db2.gz WESKHICAZPESDH-WGGXKBPPSA-N 0 0 569.610 5.815 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000102515241 554947584 /nfs/dbraw/zinc/94/75/84/554947584.db2.gz KGZUZIWUEQDAJB-ONQGDUAMSA-N 0 0 516.594 5.295 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 ZINC000102515361 554947921 /nfs/dbraw/zinc/94/79/21/554947921.db2.gz WQTXMWUKACKIRG-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102516456 554947956 /nfs/dbraw/zinc/94/79/56/554947956.db2.gz TVTOUJXROLXZFZ-TXTDGAROSA-N 0 0 530.621 5.454 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102516781 554948260 /nfs/dbraw/zinc/94/82/60/554948260.db2.gz DAAUUFXTUDUVQQ-QMMFTLRZSA-N 0 0 580.637 5.617 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102516623 554948275 /nfs/dbraw/zinc/94/82/75/554948275.db2.gz MFMSVKGZPLEPIO-ZHHPLPSFSA-N 0 0 514.409 5.491 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102518281 554949052 /nfs/dbraw/zinc/94/90/52/554949052.db2.gz WMECLYJRJRADKA-KQAPWQHSSA-N 0 0 514.603 5.947 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102520585 554949562 /nfs/dbraw/zinc/94/95/62/554949562.db2.gz NYTKUPGSCQKRFZ-WGGXKBPPSA-N 0 0 595.523 6.025 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102521938 554949935 /nfs/dbraw/zinc/94/99/35/554949935.db2.gz HBGXJAWSYCVSOE-XXASTYAFSA-N 0 0 540.685 7.236 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102523580 554950198 /nfs/dbraw/zinc/95/01/98/554950198.db2.gz MJDPZKASLFYYPY-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102525738 554951885 /nfs/dbraw/zinc/95/18/85/554951885.db2.gz UDXHKGCNAFOZTK-COUQNMRISA-N 0 0 504.995 6.201 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537371 554956349 /nfs/dbraw/zinc/95/63/49/554956349.db2.gz HWLHOXCCMSGGLI-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102542560 554957880 /nfs/dbraw/zinc/95/78/80/554957880.db2.gz WJGPUHIIRWHQDX-NXLSWJSLSA-N 0 0 516.594 6.368 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102544417 554958445 /nfs/dbraw/zinc/95/84/45/554958445.db2.gz BYCWRRVLRIZZRV-CJJGVWJISA-N 0 0 544.629 5.955 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544535 554958728 /nfs/dbraw/zinc/95/87/28/554958728.db2.gz LLRCBKKAZMGIJC-FBBHDAPUSA-N 0 0 565.478 7.170 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102547203 554959593 /nfs/dbraw/zinc/95/95/93/554959593.db2.gz OBHNMASXCXGJEN-IUKMQXEJSA-N 0 0 528.586 5.401 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102547721 554959976 /nfs/dbraw/zinc/95/99/76/554959976.db2.gz PPHSSSXZZLUXAL-SBXHHDGASA-N 0 0 502.567 6.023 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102548419 554960237 /nfs/dbraw/zinc/96/02/37/554960237.db2.gz BTXSXCSASFVQMM-CGKJMNDRSA-N 0 0 528.586 5.350 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102548106 554960262 /nfs/dbraw/zinc/96/02/62/554960262.db2.gz BRTFTJCTAMQURM-YENBHRBSSA-N 0 0 568.695 7.042 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102549668 554961146 /nfs/dbraw/zinc/96/11/46/554961146.db2.gz HUARNRXXQANURB-DHJMZRGKSA-N 0 0 558.612 5.328 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549869 554961332 /nfs/dbraw/zinc/96/13/32/554961332.db2.gz MYUVHRGEGQOLGL-CWMDRHISSA-N 0 0 572.639 5.662 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102551509 554962264 /nfs/dbraw/zinc/96/22/64/554962264.db2.gz QLVZKHWERKTSPP-QMMFTLRZSA-N 0 0 533.580 5.659 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102552374 554962546 /nfs/dbraw/zinc/96/25/46/554962546.db2.gz BHLCFYGRPPKTPI-WGGXKBPPSA-N 0 0 543.616 5.657 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000102553141 554963112 /nfs/dbraw/zinc/96/31/12/554963112.db2.gz QBHICTFJFNYUIX-VEZPTTSMSA-N 0 0 582.623 9.352 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553033 554963156 /nfs/dbraw/zinc/96/31/56/554963156.db2.gz LFCUWFMYFYHXCH-DFXXOVSGSA-N 0 0 586.666 6.271 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102557536 554965228 /nfs/dbraw/zinc/96/52/28/554965228.db2.gz UQZUJGLXYBHBSH-NSOCNUKWSA-N 0 0 540.641 6.343 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102559085 554966520 /nfs/dbraw/zinc/96/65/20/554966520.db2.gz JWVVPSZPLSDITF-DFXXOVSGSA-N 0 0 513.590 5.649 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102559090 554966525 /nfs/dbraw/zinc/96/65/25/554966525.db2.gz JWVVPSZPLSDITF-TXTDGAROSA-N 0 0 513.590 5.649 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102559685 554967086 /nfs/dbraw/zinc/96/70/86/554967086.db2.gz PUMJZQMHRNTNPD-NPJIAGGLSA-N 0 0 528.586 5.401 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559821 554967275 /nfs/dbraw/zinc/96/72/75/554967275.db2.gz AUDFNXBJNCCLCH-FZIYRNTBSA-N 0 0 554.624 5.680 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102560559 554967840 /nfs/dbraw/zinc/96/78/40/554967840.db2.gz BEJXWNGATBVZQB-DFXXOVSGSA-N 0 0 544.604 5.052 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563020 554968886 /nfs/dbraw/zinc/96/88/86/554968886.db2.gz PCDGDWLUGBWKLS-IKZPYDRGSA-N 0 0 575.086 7.078 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102599165 554977356 /nfs/dbraw/zinc/97/73/56/554977356.db2.gz OWQCBAXSNNEIFG-MIOXIQPJSA-N 0 0 534.568 5.054 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606179 554979057 /nfs/dbraw/zinc/97/90/57/554979057.db2.gz KWYMGPGDZMEXFC-QMTYFTJSSA-N 0 0 544.604 6.331 50 30 KKEARN C=CCOc1ccc(C(C2C(=O)CC(c3ccc(OC)cc3)CC2=O)C2C(=O)CC(c3ccc(OC)cc3)CC2=O)cc1 ZINC000102608931 554980531 /nfs/dbraw/zinc/98/05/31/554980531.db2.gz GNELYPKAZDQZKL-UHFFFAOYSA-N 0 0 580.677 6.016 50 30 KKEARN Cc1cccc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)c1C ZINC000102611947 554981702 /nfs/dbraw/zinc/98/17/02/554981702.db2.gz PTXAMIGDMMPACY-UHFFFAOYSA-N 0 0 533.628 5.332 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615517 554984187 /nfs/dbraw/zinc/98/41/87/554984187.db2.gz SJBARLIUXUSWCH-IZSGBISHSA-N 0 0 616.711 7.209 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102642500 554991024 /nfs/dbraw/zinc/99/10/24/554991024.db2.gz SDCVIHIZVPKSJE-NEMSTITPSA-N 0 0 518.407 5.437 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CCC)CCC)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102646443 554992712 /nfs/dbraw/zinc/99/27/12/554992712.db2.gz QIXPUZJAPDLDTD-SQHAQQRYSA-N 0 0 568.640 5.314 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)n(Cc2ccco2)c(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000102646752 554993113 /nfs/dbraw/zinc/99/31/13/554993113.db2.gz ZHRGJJARTCRYLG-LRIZEKIPSA-N 0 0 568.637 7.004 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102647210 554993345 /nfs/dbraw/zinc/99/33/45/554993345.db2.gz OQFPNLUCEJIRBD-GYBOJBDRSA-N 0 0 555.671 6.600 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102649058 554994632 /nfs/dbraw/zinc/99/46/32/554994632.db2.gz RUOPKXJHGLHQRE-GSYBUTJLSA-N 0 0 541.644 6.065 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102650322 554995625 /nfs/dbraw/zinc/99/56/25/554995625.db2.gz UVJYGFAVVGCXRT-RDGASKBCSA-N 0 0 561.634 6.220 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102650910 554995630 /nfs/dbraw/zinc/99/56/30/554995630.db2.gz DWXADWUZUJCYGA-HIAXOSCDSA-N 0 0 540.641 6.262 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102650725 554995663 /nfs/dbraw/zinc/99/56/63/554995663.db2.gz IZKBPPGLCPMLBM-FZIYRNTBSA-N 0 0 517.578 5.412 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102652870 554996789 /nfs/dbraw/zinc/99/67/89/554996789.db2.gz LRFZTOTWTQMKBZ-RGKNCCAESA-N 0 0 556.640 5.967 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102652872 554996860 /nfs/dbraw/zinc/99/68/60/554996860.db2.gz LRFZTOTWTQMKBZ-RXVNBYBTSA-N 0 0 556.640 5.967 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653487 554997079 /nfs/dbraw/zinc/99/70/79/554997079.db2.gz RWQQUWIIFFJOOS-OFNYXUPYSA-N 0 0 590.698 6.181 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654273 554997771 /nfs/dbraw/zinc/99/77/71/554997771.db2.gz DOBNJMBPYNCHIW-HTUFKCTLSA-N 0 0 561.059 6.688 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102655456 554998270 /nfs/dbraw/zinc/99/82/70/554998270.db2.gz HEBCWFCQRZLVNH-VMFRQMAUSA-N 0 0 554.668 6.733 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102655412 554998370 /nfs/dbraw/zinc/99/83/70/554998370.db2.gz BZSFQZUWEQNIGH-FGEDTZIGSA-N 0 0 537.653 5.292 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102655471 554998413 /nfs/dbraw/zinc/99/84/13/554998413.db2.gz BXQHQUBNEOHPCP-VTVSLZSGSA-N 0 0 535.600 5.511 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655727 554998644 /nfs/dbraw/zinc/99/86/44/554998644.db2.gz JDKJQRWSMZONRS-YZUJGMDRSA-N 0 0 633.166 7.723 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102655754 554998747 /nfs/dbraw/zinc/99/87/47/554998747.db2.gz FRCSDTSAPPYJJD-HWTUVFLMSA-N 0 0 584.694 6.824 50 30 KKEARN O=C(NCc1ccccc1)c1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCCC2 ZINC000102656325 554999034 /nfs/dbraw/zinc/99/90/34/554999034.db2.gz MXEZONMODYQBMZ-OKCVXOCRSA-N 0 0 520.010 7.129 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656099 554999045 /nfs/dbraw/zinc/99/90/45/554999045.db2.gz JBXMZPWYVMVXPR-NYFCFKJUSA-N 0 0 602.684 6.963 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102656065 554999063 /nfs/dbraw/zinc/99/90/63/554999063.db2.gz KPTNLZOWTILMRI-NNZNMFTDSA-N 0 0 612.748 7.522 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102656168 554999120 /nfs/dbraw/zinc/99/91/20/554999120.db2.gz HAHPEXHKRBPKDI-LOTNQUKISA-N 0 0 628.747 7.222 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000102660032 555000036 /nfs/dbraw/zinc/00/00/36/555000036.db2.gz RZYDRKKFHNMHTA-DWSOQSMHSA-N 0 0 512.609 6.265 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102661694 555000657 /nfs/dbraw/zinc/00/06/57/555000657.db2.gz LJAHZAUTEZQPBL-PEHBIRLUSA-N 0 0 558.612 5.359 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102679302 555005074 /nfs/dbraw/zinc/00/50/74/555005074.db2.gz PHIBLTKXJSFJQB-SSELITHESA-N 0 0 542.613 5.653 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102681502 555005735 /nfs/dbraw/zinc/00/57/35/555005735.db2.gz NLQHAQPPHIWWCZ-BHYZAODMSA-N 0 0 514.666 7.685 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000102689046 555007732 /nfs/dbraw/zinc/00/77/32/555007732.db2.gz KAPCAPLPMURCHQ-PXJZQJOASA-N 0 0 533.466 7.435 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102690611 555008195 /nfs/dbraw/zinc/00/81/95/555008195.db2.gz KZLZXLWRGFRTRH-ZZIWUOEGSA-N 0 0 529.574 5.765 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694750 555009693 /nfs/dbraw/zinc/00/96/93/555009693.db2.gz GOXAHPOBMJHFLU-AYWGPLOBSA-N 0 0 500.576 5.502 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696987 555011649 /nfs/dbraw/zinc/01/16/49/555011649.db2.gz QKMZNESQSNHSFS-AYWGPLOBSA-N 0 0 504.995 6.147 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102699494 555012478 /nfs/dbraw/zinc/01/24/78/555012478.db2.gz MQBPSGPFEVWMAG-CJJGVWJISA-N 0 0 505.998 5.686 50 30 KKEARN N#CC(C#N)C[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000102700007 555012675 /nfs/dbraw/zinc/01/26/75/555012675.db2.gz YTSQGXDHOXDDRS-DTXPUJKBSA-N 0 0 505.618 5.154 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102706194 555014772 /nfs/dbraw/zinc/01/47/72/555014772.db2.gz YPHYMDHHABCKSA-MIOXIQPJSA-N 0 0 520.585 5.600 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707658 555015651 /nfs/dbraw/zinc/01/56/51/555015651.db2.gz GBTQDECLEMFBBU-NPJIAGGLSA-N 0 0 516.594 6.411 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708283 555015840 /nfs/dbraw/zinc/01/58/40/555015840.db2.gz ZDIAUAGSYICEOT-SBXHHDGASA-N 0 0 529.574 5.792 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102710786 555016480 /nfs/dbraw/zinc/01/64/80/555016480.db2.gz XMLKDFZCTSELBY-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102711432 555016768 /nfs/dbraw/zinc/01/67/68/555016768.db2.gz ADDSRAUTBOAJBD-KQAPWQHSSA-N 0 0 514.603 5.947 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102714014 555017881 /nfs/dbraw/zinc/01/78/81/555017881.db2.gz NMGMGQITZAPGPR-JBCNATCCSA-N 0 0 520.607 5.171 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714754 555018320 /nfs/dbraw/zinc/01/83/20/555018320.db2.gz QYIOPETXOBDEPW-NXLSWJSLSA-N 0 0 519.022 6.537 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102715723 555018481 /nfs/dbraw/zinc/01/84/81/555018481.db2.gz GFJWMCIYUZLUSA-ONQGDUAMSA-N 0 0 513.977 6.442 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716857 555018857 /nfs/dbraw/zinc/01/88/57/555018857.db2.gz HHENIXOJZGCUNO-IUKMQXEJSA-N 0 0 533.049 6.927 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102716531 555018868 /nfs/dbraw/zinc/01/88/68/555018868.db2.gz FUPCCEPYHLPQNJ-CJJGVWJISA-N 0 0 528.630 6.282 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716616 555018968 /nfs/dbraw/zinc/01/89/68/555018968.db2.gz FYPDQXKAIRRFSC-NPJIAGGLSA-N 0 0 514.603 5.892 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102720412 555019879 /nfs/dbraw/zinc/01/98/79/555019879.db2.gz KERLYEUQDYHQQO-AHPONGEQSA-N 0 0 532.640 6.714 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102723590 555021078 /nfs/dbraw/zinc/02/10/78/555021078.db2.gz IMSAIIGGCTVUKQ-CZNAVJSXSA-N 0 0 512.631 6.582 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102725480 555021213 /nfs/dbraw/zinc/02/12/13/555021213.db2.gz CFRMZSFTHAZPTR-NPJIAGGLSA-N 0 0 544.629 5.901 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102729451 555023196 /nfs/dbraw/zinc/02/31/96/555023196.db2.gz NODVEEIKIVPJBY-ZHHPLPSFSA-N 0 0 504.995 6.147 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000102732949 555024317 /nfs/dbraw/zinc/02/43/17/555024317.db2.gz XNOPKWBSMTWLOC-MAOIWGCQSA-N 0 0 537.512 7.513 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735290 555025276 /nfs/dbraw/zinc/02/52/76/555025276.db2.gz INPOPVAHNSDVKQ-GSYBUTJLSA-N 0 0 532.596 5.606 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735327 555025309 /nfs/dbraw/zinc/02/53/09/555025309.db2.gz KJZXUQOPYIAIMO-WENCHWOGSA-N 0 0 517.581 6.424 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735454 555025483 /nfs/dbraw/zinc/02/54/83/555025483.db2.gz FRAWSLHRNZFFGO-WRPQUVRJSA-N 0 0 516.619 5.727 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735574 555025871 /nfs/dbraw/zinc/02/58/71/555025871.db2.gz NZKYDUXURDSEDY-KODPQLEOSA-N 0 0 588.685 7.655 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccnc3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102747778 555041400 /nfs/dbraw/zinc/04/14/00/555041400.db2.gz JMCPAWAMSYIYDJ-SANMLTNESA-N 0 0 502.640 5.216 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102748560 555042827 /nfs/dbraw/zinc/04/28/27/555042827.db2.gz JGZJBXBQSLEWJE-NDEPHWFRSA-N 0 0 545.661 5.549 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCn1c(=O)c2ccccc2nc1SCc1ccccc1C#N ZINC000102756669 555049708 /nfs/dbraw/zinc/04/97/08/555049708.db2.gz HGXLWDUYKKDMFD-UHFFFAOYSA-N 0 0 612.740 6.135 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770777 555058286 /nfs/dbraw/zinc/05/82/86/555058286.db2.gz XBCYGHQJRDOKSI-PNHZJWGWSA-N 0 0 512.393 5.025 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770872 555058632 /nfs/dbraw/zinc/05/86/32/555058632.db2.gz CRLYBMABKQPXFA-RFAFYKRUSA-N 0 0 542.632 6.683 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102771380 555060332 /nfs/dbraw/zinc/06/03/32/555060332.db2.gz YEDFYLXKLLYYHG-NIOKHIIOSA-N 0 0 512.587 5.568 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102789756 555068816 /nfs/dbraw/zinc/06/88/16/555068816.db2.gz LDGLWKQYUUFRLM-BVRKHOPBSA-N 0 0 537.531 9.283 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812730 555075315 /nfs/dbraw/zinc/07/53/15/555075315.db2.gz CYAXWYPJTJEQRH-UHFFFAOYSA-N 0 0 536.657 6.619 50 30 KKEARN COc1ccc([C@@H](C2=C(NCc3ccc(Cl)cc3)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000102834961 555079699 /nfs/dbraw/zinc/07/96/99/555079699.db2.gz JAMZIJCVCWSBDD-MHZLTWQESA-N 0 0 522.085 7.066 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCCCC)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000102837579 555080532 /nfs/dbraw/zinc/08/05/32/555080532.db2.gz OKUFTWYNVSLWHU-MGBGTMOVSA-N 0 0 575.838 9.175 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102856681 555088007 /nfs/dbraw/zinc/08/80/07/555088007.db2.gz PPDUIYQJGJNQLQ-SZYGQJGOSA-N 0 0 584.713 6.110 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856389 555088089 /nfs/dbraw/zinc/08/80/89/555088089.db2.gz LXOLRMXEMUCSML-MOBKVPTQSA-N 0 0 504.539 5.387 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102857249 555088626 /nfs/dbraw/zinc/08/86/26/555088626.db2.gz GYAGDXOPGFNCFG-ZZIWUOEGSA-N 0 0 529.574 5.846 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102857482 555088882 /nfs/dbraw/zinc/08/88/82/555088882.db2.gz QYFHJWBWMSKCIK-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102859105 555089455 /nfs/dbraw/zinc/08/94/55/555089455.db2.gz PHFJMSAJOWHHNS-RWMNMRIUSA-N 0 0 541.644 5.862 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102859252 555089655 /nfs/dbraw/zinc/08/96/55/555089655.db2.gz YSGAQSHBVFVYGW-GKYPKFCBSA-N 0 0 589.688 6.652 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102859263 555089740 /nfs/dbraw/zinc/08/97/40/555089740.db2.gz YSGAQSHBVFVYGW-SXARVTSNSA-N 0 0 589.688 6.652 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102861111 555091316 /nfs/dbraw/zinc/09/13/16/555091316.db2.gz XWQGVZRNAYDKNQ-DFXXOVSGSA-N 0 0 512.650 6.488 50 30 KKEARN COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863381 555093184 /nfs/dbraw/zinc/09/31/84/555093184.db2.gz LIXQVXLGGFDTGD-YDJIHCHBSA-N 0 0 514.987 5.065 50 30 KKEARN COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863385 555093286 /nfs/dbraw/zinc/09/32/86/555093286.db2.gz LIXQVXLGGFDTGD-NHFXJNLRSA-N 0 0 514.987 5.065 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102864019 555093866 /nfs/dbraw/zinc/09/38/66/555093866.db2.gz VLDLJAXXDIQCHU-MOBKVPTQSA-N 0 0 527.802 5.518 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000102865285 555094833 /nfs/dbraw/zinc/09/48/33/555094833.db2.gz KPKHVEBCIIGSNJ-CJJGVWJISA-N 0 0 571.512 5.080 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866144 555095406 /nfs/dbraw/zinc/09/54/06/555095406.db2.gz QLUCNWSWLUOVMS-VEZPTTSMSA-N 0 0 630.719 6.670 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866910 555096323 /nfs/dbraw/zinc/09/63/23/555096323.db2.gz FQSUBMYJJXMJJN-CZNAVJSXSA-N 0 0 574.611 5.197 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867046 555096423 /nfs/dbraw/zinc/09/64/23/555096423.db2.gz FOPJYARJLDLORN-XKNZNLGKSA-N 0 0 570.667 6.352 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102867777 555097340 /nfs/dbraw/zinc/09/73/40/555097340.db2.gz ZIIPQCRJPYTJJR-DFXXOVSGSA-N 0 0 513.590 5.649 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102867984 555097500 /nfs/dbraw/zinc/09/75/00/555097500.db2.gz SSGCWRQENYDSHZ-ONQGDUAMSA-N 0 0 558.656 6.291 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000102868208 555097691 /nfs/dbraw/zinc/09/76/91/555097691.db2.gz GKZYXDKAQQHJPE-CFQDGGCTSA-N 0 0 577.806 8.915 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869025 555098263 /nfs/dbraw/zinc/09/82/63/555098263.db2.gz XLAUWZKVJTVGLL-WBMUNJTESA-N 0 0 512.587 5.563 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869294 555098896 /nfs/dbraw/zinc/09/88/96/555098896.db2.gz XRVNUZRLASPJSR-LAOGWUEASA-N 0 0 524.642 6.425 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102870076 555100103 /nfs/dbraw/zinc/10/01/03/555100103.db2.gz VNCIUXHUBGITPF-WYNCGZBVSA-N 0 0 531.605 5.803 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870199 555100422 /nfs/dbraw/zinc/10/04/22/555100422.db2.gz KWCDCQNRJQBABT-FLJNSMSWSA-N 0 0 602.684 6.819 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102870274 555100460 /nfs/dbraw/zinc/10/04/60/555100460.db2.gz OUIXSDJFZOQZPN-ZORLYMSLSA-N 0 0 578.750 8.506 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102870843 555101227 /nfs/dbraw/zinc/10/12/27/555101227.db2.gz XVJHRXTXENMZIX-CZNAVJSXSA-N 0 0 544.629 5.901 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102872506 555103177 /nfs/dbraw/zinc/10/31/77/555103177.db2.gz RYNNIQKWYFHBBY-YJMWBXFMSA-N 0 0 511.618 5.853 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102873190 555103679 /nfs/dbraw/zinc/10/36/79/555103679.db2.gz UWAYDYSDEJVZPD-NPJIAGGLSA-N 0 0 514.603 6.028 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102875288 555105253 /nfs/dbraw/zinc/10/52/53/555105253.db2.gz RMGBZGVXBMBSAP-UVDRRRQGSA-N 0 0 502.567 6.077 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102876528 555106313 /nfs/dbraw/zinc/10/63/13/555106313.db2.gz QWHIRKCRCIJDCR-ZORLYMSLSA-N 0 0 546.667 6.888 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102877785 555107246 /nfs/dbraw/zinc/10/72/46/555107246.db2.gz IJIXAZOAGVFCFS-ZZIWUOEGSA-N 0 0 530.602 5.565 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878230 555107551 /nfs/dbraw/zinc/10/75/51/555107551.db2.gz AEFZQGTZMQGCDN-ONQGDUAMSA-N 0 0 526.545 5.206 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000102879260 555108371 /nfs/dbraw/zinc/10/83/71/555108371.db2.gz DRXSYDZZWHZNJO-TXTDGAROSA-N 0 0 533.068 5.991 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000102879152 555108495 /nfs/dbraw/zinc/10/84/95/555108495.db2.gz UZRZPSNADCAVDI-CSFOGAFKSA-N 0 0 541.772 6.127 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102879902 555108908 /nfs/dbraw/zinc/10/89/08/555108908.db2.gz BCIPCRVCFLIZSM-QBCYBHDASA-N 0 0 527.617 5.472 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102880089 555108924 /nfs/dbraw/zinc/10/89/24/555108924.db2.gz DGXSRIKPSQTSPI-UVDRRRQGSA-N 0 0 519.022 6.592 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102880444 555109344 /nfs/dbraw/zinc/10/93/44/555109344.db2.gz IDDWEIBADOMXLZ-IUKMQXEJSA-N 0 0 533.496 6.100 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000102882365 555110715 /nfs/dbraw/zinc/11/07/15/555110715.db2.gz KFKNSIWDWJZLHF-IUKMQXEJSA-N 0 0 543.502 5.556 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000102882310 555110802 /nfs/dbraw/zinc/11/08/02/555110802.db2.gz ZDUDQWFWCJUPOX-IUKMQXEJSA-N 0 0 535.438 5.953 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882789 555111114 /nfs/dbraw/zinc/11/11/14/555111114.db2.gz PCKDKMBTSSBKBJ-IUKMQXEJSA-N 0 0 532.593 6.168 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102883429 555111667 /nfs/dbraw/zinc/11/16/67/555111667.db2.gz LVJCTDZENIUTMC-ZZIWUOEGSA-N 0 0 502.567 6.077 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102883271 555111672 /nfs/dbraw/zinc/11/16/72/555111672.db2.gz CUURSCQXYYXXSP-HFEWCJDKSA-N 0 0 506.605 5.618 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102883446 555111713 /nfs/dbraw/zinc/11/17/13/555111713.db2.gz XWTANMFYQCSUMF-IUKMQXEJSA-N 0 0 535.438 5.953 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102883575 555112112 /nfs/dbraw/zinc/11/21/12/555112112.db2.gz BVUNJQPBQMAWIU-WGGXKBPPSA-N 0 0 558.631 5.442 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884235 555112778 /nfs/dbraw/zinc/11/27/78/555112778.db2.gz AADVPSXFZKGIRT-MDLGLMBTSA-N 0 0 618.711 7.142 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884182 555112795 /nfs/dbraw/zinc/11/27/95/555112795.db2.gz NPQGHLLRGIJSLH-HOGKFDNTSA-N 0 0 506.605 5.782 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102884071 555112844 /nfs/dbraw/zinc/11/28/44/555112844.db2.gz YKXGSYVEAFJMHI-AHPONGEQSA-N 0 0 578.621 5.452 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884183 555112916 /nfs/dbraw/zinc/11/29/16/555112916.db2.gz NPQGHLLRGIJSLH-MOBKVPTQSA-N 0 0 506.605 5.782 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884658 555113818 /nfs/dbraw/zinc/11/38/18/555113818.db2.gz SBUCTQDPQWJYEJ-YSJQHINGSA-N 0 0 604.684 6.834 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884630 555113903 /nfs/dbraw/zinc/11/39/03/555113903.db2.gz NSPVVVDCIJVAGD-CJJGVWJISA-N 0 0 556.640 6.000 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884712 555114243 /nfs/dbraw/zinc/11/42/43/555114243.db2.gz VQPAIFMERJYVAN-NXLSVDECSA-N 0 0 614.720 6.688 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884817 555114592 /nfs/dbraw/zinc/11/45/92/555114592.db2.gz UQDIHFJFKMIMQQ-QJGFIUGVSA-N 0 0 568.695 7.123 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102885374 555115453 /nfs/dbraw/zinc/11/54/53/555115453.db2.gz NLKTUMNBVYVAMM-AHPONGEQSA-N 0 0 552.199 9.551 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886648 555117245 /nfs/dbraw/zinc/11/72/45/555117245.db2.gz BYFNZARDCCOXRA-SSELITHESA-N 0 0 542.613 5.653 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000102887105 555118265 /nfs/dbraw/zinc/11/82/65/555118265.db2.gz AFSUPIOFRVBCGP-SSEXGKCCSA-N 0 0 542.643 6.465 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887287 555118510 /nfs/dbraw/zinc/11/85/10/555118510.db2.gz UQRFWAPZBXUMTG-GRBPGWBESA-N 0 0 600.693 6.442 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887249 555118524 /nfs/dbraw/zinc/11/85/24/555118524.db2.gz RTHQXQUYQWGYDB-KVBNAJLESA-N 0 0 598.721 7.050 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887293 555118900 /nfs/dbraw/zinc/11/89/00/555118900.db2.gz UQRFWAPZBXUMTG-GBIFRDBCSA-N 0 0 600.693 6.442 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887683 555119876 /nfs/dbraw/zinc/11/98/76/555119876.db2.gz LSAJQMLXYKRABR-FLJNSMSWSA-N 0 0 619.139 7.477 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102887834 555120092 /nfs/dbraw/zinc/12/00/92/555120092.db2.gz KMRDKHVYUPLKNA-LODGOHBISA-N 0 0 537.653 5.436 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102887830 555120192 /nfs/dbraw/zinc/12/01/92/555120192.db2.gz KMRDKHVYUPLKNA-FGEDTZIGSA-N 0 0 537.653 5.436 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000102887874 555120496 /nfs/dbraw/zinc/12/04/96/555120496.db2.gz UQSZEEPMENAARQ-AHPONGEQSA-N 0 0 552.199 9.551 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888194 555120831 /nfs/dbraw/zinc/12/08/31/555120831.db2.gz OHJHLKFYRIFQFV-XTUFCYCQSA-N 0 0 589.113 7.468 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888076 555120879 /nfs/dbraw/zinc/12/08/79/555120879.db2.gz RULBUNOIEMKQIE-HAQIDCBSSA-N 0 0 528.586 5.263 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888241 555121131 /nfs/dbraw/zinc/12/11/31/555121131.db2.gz RJMHYKFXRBVHFH-UZGIXAGNSA-N 0 0 598.721 7.214 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102888284 555121149 /nfs/dbraw/zinc/12/11/49/555121149.db2.gz PUNFPFKTKIWVQD-JOCHJYFZSA-N 0 0 576.352 8.541 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888790 555122153 /nfs/dbraw/zinc/12/21/53/555122153.db2.gz HUUQWLZHHRYXKK-OFNYXUPYSA-N 0 0 575.086 7.078 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888732 555122254 /nfs/dbraw/zinc/12/22/54/555122254.db2.gz YRQQHAVJLJHLBP-WBMUNJTESA-N 0 0 546.645 5.783 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102889100 555122802 /nfs/dbraw/zinc/12/28/02/555122802.db2.gz WSIFCGXNJGATII-ZORLYMSLSA-N 0 0 568.198 9.252 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888953 555122832 /nfs/dbraw/zinc/12/28/32/555122832.db2.gz CHQCVWBAMOCWKO-HWTUVFLMSA-N 0 0 584.694 6.824 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889053 555122901 /nfs/dbraw/zinc/12/29/01/555122901.db2.gz QTAVQNLQKPLJCM-SXFMABAMSA-N 0 0 526.614 5.871 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000102889014 555122919 /nfs/dbraw/zinc/12/29/19/555122919.db2.gz PZVOQGWTYHJBHZ-IAMBOQNYSA-N 0 0 504.589 5.372 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889426 555123548 /nfs/dbraw/zinc/12/35/48/555123548.db2.gz LVIPKUBSJPBSMR-PZOWILBQSA-N 0 0 570.667 6.270 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889602 555124233 /nfs/dbraw/zinc/12/42/33/555124233.db2.gz YSCCBJNWBAECHX-XXASTYAFSA-N 0 0 558.656 6.264 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102890160 555125234 /nfs/dbraw/zinc/12/52/34/555125234.db2.gz HNWRCUJOIKYFRQ-IUKMQXEJSA-N 0 0 528.586 5.265 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1Cc1cccnc1 ZINC000102890320 555125639 /nfs/dbraw/zinc/12/56/39/555125639.db2.gz WAXQAMCAOLZWSA-DFXXOVSGSA-N 0 0 506.558 5.291 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000102890562 555125848 /nfs/dbraw/zinc/12/58/48/555125848.db2.gz NFAPDPFRHQOYFS-ZHHPLPSFSA-N 0 0 534.634 5.742 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102890649 555125933 /nfs/dbraw/zinc/12/59/33/555125933.db2.gz SWFGMACTOAJZAS-AHPONGEQSA-N 0 0 595.652 5.144 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102891016 555126567 /nfs/dbraw/zinc/12/65/67/555126567.db2.gz UXSHLOMFHSHFCR-MIOXIQPJSA-N 0 0 537.616 5.291 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891484 555127401 /nfs/dbraw/zinc/12/74/01/555127401.db2.gz FYKAOPJNFUYTGC-SOIUSXPSSA-N 0 0 546.645 5.701 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891540 555127476 /nfs/dbraw/zinc/12/74/76/555127476.db2.gz PMPDUNJRHKAXAB-RGKNCCAESA-N 0 0 556.640 5.880 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102891721 555127695 /nfs/dbraw/zinc/12/76/95/555127695.db2.gz ZPMZTXJZJBEZDK-XVTRYDTASA-N 0 0 526.614 5.953 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891713 555127838 /nfs/dbraw/zinc/12/78/38/555127838.db2.gz DCFSFZCUCLAPKV-CZNAVJSXSA-N 0 0 558.612 5.491 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102891731 555127881 /nfs/dbraw/zinc/12/78/81/555127881.db2.gz YHHAVVYFFXVISJ-RXDXAXPSSA-N 0 0 540.641 6.434 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893198 555130170 /nfs/dbraw/zinc/13/01/70/555130170.db2.gz POTISKLPGDLMIO-NXLSVDECSA-N 0 0 624.715 6.582 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893209 555130216 /nfs/dbraw/zinc/13/02/16/555130216.db2.gz HJVCROFSPPPJOS-SMLVDECESA-N 0 0 582.722 7.432 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893369 555130691 /nfs/dbraw/zinc/13/06/91/555130691.db2.gz AKTJLYXQLCEYGW-IOUQRVAPSA-N 0 0 588.682 5.923 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893398 555130778 /nfs/dbraw/zinc/13/07/78/555130778.db2.gz KBJRXXREVJWEGP-FZIYRNTBSA-N 0 0 618.708 5.932 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894272 555132307 /nfs/dbraw/zinc/13/23/07/555132307.db2.gz ZAAPLIVPEWJEMQ-IKZPYDRGSA-N 0 0 540.641 6.378 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894680 555132809 /nfs/dbraw/zinc/13/28/09/555132809.db2.gz LFAKLNLXGLNMGT-HAQIDCBSSA-N 0 0 547.032 6.298 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895308 555134027 /nfs/dbraw/zinc/13/40/27/555134027.db2.gz OJPSBTBQVLNYDP-LHKMDIPOSA-N 0 0 584.694 6.742 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102895288 555134110 /nfs/dbraw/zinc/13/41/10/555134110.db2.gz YUUPQSBWIQCXGB-WGGXKBPPSA-N 0 0 504.586 5.899 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895769 555135279 /nfs/dbraw/zinc/13/52/79/555135279.db2.gz XRHPHPNQKUAQRI-QMMFTLRZSA-N 0 0 630.719 6.526 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896377 555136351 /nfs/dbraw/zinc/13/63/51/555136351.db2.gz GDMNMSWSHAUXTE-QBTYMPIYSA-N 0 0 556.640 6.043 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102896816 555136843 /nfs/dbraw/zinc/13/68/43/555136843.db2.gz OZFCZMWGZTVHBU-WGGXKBPPSA-N 0 0 566.695 5.189 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102896748 555136875 /nfs/dbraw/zinc/13/68/75/555136875.db2.gz JFTXMNMFRUZVKH-QMMFTLRZSA-N 0 0 583.169 9.151 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102897335 555137580 /nfs/dbraw/zinc/13/75/80/555137580.db2.gz TYECLEMJVXTJNA-IUKMQXEJSA-N 0 0 514.603 5.892 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102897399 555137824 /nfs/dbraw/zinc/13/78/24/555137824.db2.gz WHPLVPSDWKKUAH-SZYGQJGOSA-N 0 0 563.779 8.607 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102897831 555137881 /nfs/dbraw/zinc/13/78/81/555137881.db2.gz GJTAZYAZOLELDF-QMMFTLRZSA-N 0 0 533.628 5.657 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899247 555138865 /nfs/dbraw/zinc/13/88/65/555138865.db2.gz UPJWISLMVMGYCZ-XKNZNLGKSA-N 0 0 604.725 6.427 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc31)O2 ZINC000102899329 555139104 /nfs/dbraw/zinc/13/91/04/555139104.db2.gz LYXSXUJROTYXGC-LDLOPFEMSA-N 0 0 566.874 11.690 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899740 555139481 /nfs/dbraw/zinc/13/94/81/555139481.db2.gz BNINGGZXPYQADM-YSJQHINGSA-N 0 0 628.747 7.078 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102899757 555139617 /nfs/dbraw/zinc/13/96/17/555139617.db2.gz HQNCNAMBBOPZBZ-WENCHWOGSA-N 0 0 556.659 5.851 50 30 KKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1C#N ZINC000102909337 555142128 /nfs/dbraw/zinc/14/21/28/555142128.db2.gz BGJSVLUEKYAZHB-UHFFFAOYSA-N 0 0 543.052 6.250 50 30 KKEARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1cccc(C#N)c1 ZINC000102914856 555143764 /nfs/dbraw/zinc/14/37/64/555143764.db2.gz USOVOBKZJWURPW-UHFFFAOYSA-N 0 0 578.735 5.477 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)[C@H](NC(=O)c3ccccc3)C(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102922828 555147553 /nfs/dbraw/zinc/14/75/53/555147553.db2.gz QKMGIIFVJPEXFK-GDLZYMKVSA-N 0 0 581.625 5.439 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102924160 555148536 /nfs/dbraw/zinc/14/85/36/555148536.db2.gz XBRRDHSRFFQXAX-LJAQVGFWSA-N 0 0 599.615 5.578 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC=CC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102924701 555148994 /nfs/dbraw/zinc/14/89/94/555148994.db2.gz SULARUBCRYWVLZ-OSBDDZKNSA-N 0 0 587.554 5.813 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102924982 555149099 /nfs/dbraw/zinc/14/90/99/555149099.db2.gz BHPQNPNCKYRKSR-QKJBWNOYSA-N 0 0 531.077 7.490 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102925048 555149439 /nfs/dbraw/zinc/14/94/39/555149439.db2.gz JRLQBPCKLQQCMT-IUKMQXEJSA-N 0 0 530.602 5.647 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102926505 555150868 /nfs/dbraw/zinc/15/08/68/555150868.db2.gz YGLJFLIIEKVIFS-MOBKVPTQSA-N 0 0 511.043 6.346 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102926691 555151168 /nfs/dbraw/zinc/15/11/68/555151168.db2.gz GPHYHXKEJOAAQG-MIOXIQPJSA-N 0 0 504.586 5.899 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102927262 555151992 /nfs/dbraw/zinc/15/19/92/555151992.db2.gz IHPPRIMZAJNPAG-VEZPTTSMSA-N 0 0 540.660 5.026 50 30 KKEARN COc1ccc2[nH]c(/C=N/N=C3/c4ccccc4C(=O)[C@@H]3C(=O)C(c3ccccc3)c3ccccc3)cc2c1 ZINC000102930798 555157578 /nfs/dbraw/zinc/15/75/78/555157578.db2.gz OGCRHWISODDLNY-KWBFOSPVSA-N 0 0 511.581 6.213 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931554 555159098 /nfs/dbraw/zinc/15/90/98/555159098.db2.gz SQILUXOIXGMULL-ZHHPLPSFSA-N 0 0 514.559 5.108 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102931673 555159253 /nfs/dbraw/zinc/15/92/53/555159253.db2.gz LEGBTGMNUAYRPF-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102932257 555159696 /nfs/dbraw/zinc/15/96/96/555159696.db2.gz XBZMUIANVFUWFA-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102932260 555159739 /nfs/dbraw/zinc/15/97/39/555159739.db2.gz XBZMUIANVFUWFA-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102932302 555159961 /nfs/dbraw/zinc/15/99/61/555159961.db2.gz GDVDRSQIIFUXEG-CZNAVJSXSA-N 0 0 526.658 6.927 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102932743 555160241 /nfs/dbraw/zinc/16/02/41/555160241.db2.gz IRXCPKDMXZTXEA-AYWGPLOBSA-N 0 0 516.432 5.251 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102933072 555160270 /nfs/dbraw/zinc/16/02/70/555160270.db2.gz IDEIHBHWHSZIJY-TXTDGAROSA-N 0 0 567.513 6.644 50 30 KKEARN C=C1C(=NC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)C(=C)C(Cl)C(=O)C1Cl ZINC000102935140 555162504 /nfs/dbraw/zinc/16/25/04/555162504.db2.gz COSTUUOOWSZYDC-YYADALCUSA-N 0 0 526.239 5.634 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccccc1C(F)(F)F)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940354 555168876 /nfs/dbraw/zinc/16/88/76/555168876.db2.gz ITUBTZWUXUKJIN-LHEWISCISA-N 0 0 541.518 5.468 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102991372 555192404 /nfs/dbraw/zinc/19/24/04/555192404.db2.gz YHKPVWMIBCZRHW-AREMUKBSSA-N 0 0 537.104 6.833 50 30 KKEARN CCCCCCCC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2cccc(C)c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000102992990 555193365 /nfs/dbraw/zinc/19/33/65/555193365.db2.gz FLSNYAYAMKATTQ-GDLZYMKVSA-N 0 0 571.747 7.537 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000102996167 555195828 /nfs/dbraw/zinc/19/58/28/555195828.db2.gz LLAKSFSLKQISBF-DJUQAAIZSA-N 0 0 525.759 5.514 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C1CC1 ZINC000102997542 555197039 /nfs/dbraw/zinc/19/70/39/555197039.db2.gz VNWWTYNRHGSJEN-UHFFFAOYSA-N 0 0 512.691 6.000 50 30 KKEARN CCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)CC(C)C ZINC000102997812 555197243 /nfs/dbraw/zinc/19/72/43/555197243.db2.gz ZYRHVKXNAYZTFA-UHFFFAOYSA-N 0 0 541.676 7.598 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000102999647 555199485 /nfs/dbraw/zinc/19/94/85/555199485.db2.gz PPSXUCAZOYXUGP-UHFFFAOYSA-N 0 0 587.846 6.806 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000102999655 555199535 /nfs/dbraw/zinc/19/95/35/555199535.db2.gz UCCDJRHHBUGFKE-UMSFTDKQSA-N 0 0 560.182 8.479 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OC)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103000156 555199950 /nfs/dbraw/zinc/19/99/50/555199950.db2.gz UJEBZYCHUZXEHJ-UHFFFAOYSA-N 0 0 516.608 7.821 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C(C)C ZINC000103000553 555200283 /nfs/dbraw/zinc/20/02/83/555200283.db2.gz UXJPTPTUGBLNSN-UHFFFAOYSA-N 0 0 573.866 8.986 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008447 555205291 /nfs/dbraw/zinc/20/52/91/555205291.db2.gz JYEVRVAMUHBXDT-KJYTXNCISA-N 0 0 584.644 5.362 50 30 KKEARN CCCCCCCCc1ccc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1 ZINC000103014014 555208013 /nfs/dbraw/zinc/20/80/13/555208013.db2.gz NLTRCCNRSCRYHT-UHFFFAOYSA-N 0 0 572.790 7.377 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3nc4ccc(NCCCC)c5c4c(n3)-c3ccccc3C5=O)cc2)cc1 ZINC000103013992 555208076 /nfs/dbraw/zinc/20/80/76/555208076.db2.gz ORGFSAKEHRYABT-UHFFFAOYSA-N 0 0 567.777 10.290 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015311 555208722 /nfs/dbraw/zinc/20/87/22/555208722.db2.gz AOPGMLGGPIJPBV-NIJXNBFTSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103015600 555208967 /nfs/dbraw/zinc/20/89/67/555208967.db2.gz TYQCXWAIUXIFPV-NQHRYMMQSA-N 0 0 560.647 5.414 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103015501 555208991 /nfs/dbraw/zinc/20/89/91/555208991.db2.gz NOSSBDDYNBAHAN-BPUDTRNYSA-N 0 0 583.493 5.802 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103015916 555209187 /nfs/dbraw/zinc/20/91/87/555209187.db2.gz PSHYORGHJJZVPX-QTLGCAHFSA-N 0 0 595.092 6.068 50 30 KKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000103016279 555209322 /nfs/dbraw/zinc/20/93/22/555209322.db2.gz WQIXOSRMTHSTOL-RCZVLFRGSA-N 0 0 546.451 5.888 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103016012 555209336 /nfs/dbraw/zinc/20/93/36/555209336.db2.gz PETXMXIXQPSQJR-PISWEHOVSA-N 0 0 596.627 5.693 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@H](C(=O)OCC)c3cc(OC)ccc3OC)C2)cc1 ZINC000103016956 555209900 /nfs/dbraw/zinc/20/99/00/555209900.db2.gz ABFAPNWMYHYEOV-CWHUZLPRSA-N 0 0 523.670 6.074 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022479 555213680 /nfs/dbraw/zinc/21/36/80/555213680.db2.gz SOAQWZBOIJOQIB-UHMYUZELSA-N 0 0 533.577 5.326 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000103064288 555244933 /nfs/dbraw/zinc/24/49/33/555244933.db2.gz WTWBJZQVCRTISC-SFHVURJKSA-N 0 0 544.477 5.745 50 30 KKEARN C=CCn1c(SCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103064429 555245232 /nfs/dbraw/zinc/24/52/32/555245232.db2.gz OFAKISBYURHMTJ-UHFFFAOYSA-N 0 0 599.782 6.295 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)=C1Nc2ccccc2N1 ZINC000103068523 555249230 /nfs/dbraw/zinc/24/92/30/555249230.db2.gz LILKSFDBINWENL-UHFFFAOYSA-N 0 0 553.688 6.111 50 30 KKEARN CCCCCCCCCC(=O)N(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1 ZINC000103068907 555249630 /nfs/dbraw/zinc/24/96/30/555249630.db2.gz UWQIZOYEKAXZNT-UHFFFAOYSA-N 0 0 571.728 8.137 50 30 KKEARN N#Cc1cccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000103075385 555254967 /nfs/dbraw/zinc/25/49/67/555254967.db2.gz CQZBQYIEECFNTB-SANMLTNESA-N 0 0 542.989 6.338 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)ccc1Cl ZINC000103078303 555256973 /nfs/dbraw/zinc/25/69/73/555256973.db2.gz OKEVPGIFVCYELV-UHFFFAOYSA-N 0 0 627.546 6.831 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000103080171 555259051 /nfs/dbraw/zinc/25/90/51/555259051.db2.gz HUWBSMZVQFCWCC-JGCGQSQUSA-N 0 0 580.662 6.339 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc2)c1 ZINC000103083474 555262419 /nfs/dbraw/zinc/26/24/19/555262419.db2.gz FUBPOEAKAJPJRZ-ZBQOUOQASA-N 0 0 541.695 6.975 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000103085917 555264497 /nfs/dbraw/zinc/26/44/97/555264497.db2.gz LXCJSPPHMXEAAJ-CPSJEZDLSA-N 0 0 524.712 5.696 50 30 KKEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(SC(F)F)cc1 ZINC000103086875 555265578 /nfs/dbraw/zinc/26/55/78/555265578.db2.gz BYNJDQNLNKNMTL-UHFFFAOYSA-N 0 0 539.549 5.155 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000103103363 555280966 /nfs/dbraw/zinc/28/09/66/555280966.db2.gz DGVSBHQHKXFYBM-NRFANRHFSA-N 0 0 539.811 7.798 50 30 KKEARN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N(C(=O)CSc3nc4c(cc3C#N)C[C@H](c3ccccc3)CC4)C3CCCCC3)C2=O)cc1 ZINC000103129634 555298174 /nfs/dbraw/zinc/29/81/74/555298174.db2.gz AIJOPWKRHSPWPQ-NLGDKJDOSA-N 0 0 635.790 5.770 50 30 KKEARN COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000103132920 555302744 /nfs/dbraw/zinc/30/27/44/555302744.db2.gz SPFDAFXRFZFYOG-NDENLUEZSA-N 0 0 569.133 6.338 50 30 KKEARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 ZINC000103137705 555307858 /nfs/dbraw/zinc/30/78/58/555307858.db2.gz MZEZUKFIXAAZKG-UHFFFAOYSA-N 0 0 557.466 6.381 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1C(F)(F)F)n2Cc1ccc(C(F)(F)F)cc1 ZINC000103142382 555311769 /nfs/dbraw/zinc/31/17/69/555311769.db2.gz ANSISWVZLLBLKT-UHFFFAOYSA-N 0 0 556.503 7.730 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)n2Cc1ccc(C(F)(F)F)cc1 ZINC000103142965 555311829 /nfs/dbraw/zinc/31/18/29/555311829.db2.gz RFGVLXRFTGFYBH-UHFFFAOYSA-N 0 0 610.473 8.148 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000103143733 555311977 /nfs/dbraw/zinc/31/19/77/555311977.db2.gz OVMBQGPMYZRKEK-HOGKFDNTSA-N 0 0 502.405 5.005 50 30 KKEARN O=C(Nc1cc(-c2onc3c2CCCC3)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000103145840 555313577 /nfs/dbraw/zinc/31/35/77/555313577.db2.gz MAHLZJHHWJCUEV-UHFFFAOYSA-N 0 0 522.367 7.529 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)CC(C)C ZINC000103148384 555315178 /nfs/dbraw/zinc/31/51/78/555315178.db2.gz XUSPMQHVWKSXAH-UHFFFAOYSA-N 0 0 614.937 8.831 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000103189996 555333160 /nfs/dbraw/zinc/33/31/60/555333160.db2.gz MZUAQRYHJRHCBA-RUZDIDTESA-N 0 0 561.125 5.100 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1 ZINC000103193562 555334320 /nfs/dbraw/zinc/33/43/20/555334320.db2.gz HWYRJLFFYSUIDA-UHFFFAOYSA-N 0 0 545.812 8.207 50 30 KKEARN Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2[C@@H](Cc2ccccc2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103197380 555335472 /nfs/dbraw/zinc/33/54/72/555335472.db2.gz JCIJCEATUMYFQH-GDLZYMKVSA-N 0 0 562.674 6.984 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3C#N)(C(=O)NCC3CC3)C[C@H](OCc3cccc(OC(F)(F)F)c3)[C@@H]2O1 ZINC000103377102 555370086 /nfs/dbraw/zinc/37/00/86/555370086.db2.gz NNFZYKJHCJKCTR-XWDJFTLGSA-N 0 0 574.596 5.138 50 30 KKEARN C=CCn1c(SCCCC(=O)NCCc2ccc(OC)c(OC)c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000103399577 555385735 /nfs/dbraw/zinc/38/57/35/555385735.db2.gz WTAIVKRDMSPXCU-UHFFFAOYSA-N 0 0 541.717 6.652 50 30 KKEARN FC(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)C(F)(F)F ZINC000103529119 555429697 /nfs/dbraw/zinc/42/96/97/555429697.db2.gz OEDOFOJJNOOWEM-JCYAYHJZSA-N 0 0 500.070 6.353 50 30 KKEARN COc1ccc(C2=CS[C@@]3(C=C(c4ccccc4)OC(C(=O)c4ccccc4)=C3C(=O)c3ccccc3)S2)cc1 ZINC000103541701 555438719 /nfs/dbraw/zinc/43/87/19/555438719.db2.gz FSDDMIKUNXDOJI-UMSFTDKQSA-N 0 0 560.696 8.261 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4Cl)cs3)cc2)cc1 ZINC000103557317 555446862 /nfs/dbraw/zinc/44/68/62/555446862.db2.gz BCSQPLPQTAVDIL-LGJNPRDNSA-N 0 0 518.447 6.639 50 30 KKEARN O=C1N/C(=N/c2cccc(/N=C3/NC(=O)/C(=C/c4ccccc4Cl)S3)c2)S/C1=C/c1ccccc1Cl ZINC000103657831 555461354 /nfs/dbraw/zinc/46/13/54/555461354.db2.gz FRFPZCDMSRKAJR-VZHHCOETSA-N 0 0 551.480 6.777 50 30 KKEARN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)S/C(=N/c2ccccc2)N1CCc1ccccc1 ZINC000103686896 555462520 /nfs/dbraw/zinc/46/25/20/555462520.db2.gz HTZXOSIWSQTQJV-SURYVWHFSA-N 0 0 531.656 7.675 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000103707026 555464419 /nfs/dbraw/zinc/46/44/19/555464419.db2.gz DQOFVGSRYAADPI-YZSQISJMSA-N 0 0 624.586 8.040 50 30 KKEARN C=CCc1ccccc1OCCn1c(C)c(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc21 ZINC000103751143 555467533 /nfs/dbraw/zinc/46/75/33/555467533.db2.gz WWPZEZCOSQUFEO-DPAOYWDVSA-N 0 0 580.113 7.078 50 30 KKEARN C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000103756940 555469844 /nfs/dbraw/zinc/46/98/44/555469844.db2.gz SOVSPHFEPVGFCK-WCMJOSRZSA-N 0 0 549.469 6.323 50 30 KKEARN C=C(C)[C@@H]1CC[C@@]2(COC(=O)/C=C/c3ccccc3)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253502581 560037869 /nfs/dbraw/zinc/03/78/69/560037869.db2.gz LXCNPSDULNZQOW-FXBLAZQKSA-N 0 0 572.874 9.262 50 30 biogenic,in-vitro KKEARN Cc1nccn1/C=C1/C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)n4ccnc4C)CC[C@]23C)C(C)(C)C1=O ZINC000095563937 562764110 /nfs/dbraw/zinc/76/41/10/562764110.db2.gz SKOPAXHHEKDKBL-MDHLVLOMSA-N 0 0 610.887 8.714 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]21F ZINC000150340034 562843149 /nfs/dbraw/zinc/84/31/49/562843149.db2.gz QKENRHXGDUPTEM-GNSDDBTRSA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000253476173 562881843 /nfs/dbraw/zinc/88/18/43/562881843.db2.gz YZBLFMPOMVTDJY-CBYMMZEQSA-N 0 0 639.830 5.729 50 30 in-man KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000222470141 571362734 /nfs/dbraw/zinc/36/27/34/571362734.db2.gz VULGWCJDPOCGAQ-AZCYMXHYSA-N 0 0 568.066 5.537 50 30 KKEARN COCCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N/c1ccccc1 ZINC000103848960 571363962 /nfs/dbraw/zinc/36/39/62/571363962.db2.gz XJFSOYIJQLBQAK-UDYMOMHISA-N 0 0 501.098 7.193 50 30 KKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/CCCCCCCCCCCCCCCCCC ZINC000103884425 571368570 /nfs/dbraw/zinc/36/85/70/571368570.db2.gz JNWHNFSESPYHDL-USUYNIDQSA-N 0 0 555.898 9.777 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000103928959 571370056 /nfs/dbraw/zinc/37/00/56/571370056.db2.gz RMZRFDQJIOKANX-HOGKFDNTSA-N 0 0 520.607 5.134 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000104022281 571371369 /nfs/dbraw/zinc/37/13/69/571371369.db2.gz FHGROPFMYCSDIE-LJAQVGFWSA-N 0 0 556.584 8.325 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000104132096 571374623 /nfs/dbraw/zinc/37/46/23/571374623.db2.gz RFYMEDRMFMONQS-GDLZYMKVSA-N 0 0 523.032 7.959 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000104159641 571375706 /nfs/dbraw/zinc/37/57/06/571375706.db2.gz HAPYFAZTQOKRRB-PMERELPUSA-N 0 0 518.613 7.314 50 30 KKEARN COc1ccc(C2=Nc3c(C(=O)Nc4ccc(C)c(C)c4)c(Nc4ccccc4)nn3[C@@H]3CC(C)(C)CC(=O)C23)cc1 ZINC000104494660 571381270 /nfs/dbraw/zinc/38/12/70/571381270.db2.gz XWQSFRMKRJYRQO-AREMUKBSSA-N 0 0 561.686 7.271 50 30 KKEARN O=C1O[C@@]2(c3ccccc3)C(=C(c3ccccc3)N(c3ccccc3)C(=O)C2(c2ccccc2)c2ccccc2)C1=O ZINC000104971952 571388746 /nfs/dbraw/zinc/38/87/46/571388746.db2.gz NFUCCIYYAJNIOR-QNGWXLTQSA-N 0 0 547.610 6.452 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000105065853 571390979 /nfs/dbraw/zinc/39/09/79/571390979.db2.gz YQTLBSZMODXCQN-UTLVKMTRSA-N 0 0 523.832 6.148 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1 ZINC000105106156 571391582 /nfs/dbraw/zinc/39/15/82/571391582.db2.gz IRYSAPZKDFWDTM-RCZVLFRGSA-N 0 0 588.513 5.766 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C#N)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877475 571409230 /nfs/dbraw/zinc/40/92/30/571409230.db2.gz CCAHOMDKALYCPZ-WWBAHZMUSA-N 0 0 553.831 9.011 50 30 KKEARN COc1cc(/C=C2\C[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)ccc1OC(F)F ZINC000105877481 571409232 /nfs/dbraw/zinc/40/92/32/571409232.db2.gz CVFOVLXJRYURMA-LGQPKWNFSA-N 0 0 624.853 9.749 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5csc6c5CCCC6)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877446 571409233 /nfs/dbraw/zinc/40/92/33/571409233.db2.gz UDBOTRYHRCSBNV-MMUUQHGASA-N 0 0 588.942 10.080 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000105959071 571409426 /nfs/dbraw/zinc/40/94/26/571409426.db2.gz QBCUTMSIFLEYIT-OVFNOMLHSA-N 0 0 573.512 7.814 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)c1C#N ZINC000105964165 571409535 /nfs/dbraw/zinc/40/95/35/571409535.db2.gz XHAZCGIJCIZHJK-KBKYJPHKSA-N 0 0 618.344 5.076 50 30 KKEARN O=[N+]([O-])c1cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl ZINC000105965710 571409549 /nfs/dbraw/zinc/40/95/49/571409549.db2.gz MRBWVPGIJRCTMR-GEVRCRHISA-N 0 0 514.116 5.724 50 30 KKEARN COc1cccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)c1OCc1ccc(Cl)cc1Cl ZINC000106154188 571411501 /nfs/dbraw/zinc/41/15/01/571411501.db2.gz KOPCJXCZUYTLAN-FZPRHHONSA-N 0 0 596.494 7.085 50 30 KKEARN CC(C)(C)c1cc(Br)c(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503997 571412823 /nfs/dbraw/zinc/41/28/23/571412823.db2.gz GKAZTXGRLZTVSO-WMXIRLPISA-N 0 0 592.416 8.067 50 30 KKEARN CCOC(=O)/C=C1\C[C@]2(C)[C@H]3CC[C@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C(C)(C)C1=O ZINC000108509118 571425953 /nfs/dbraw/zinc/42/59/53/571425953.db2.gz SUNGIAGTTRIRSA-RROFUBFZSA-N 0 0 524.786 7.545 50 30 KKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)CO/C=C\COCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000109131882 571428418 /nfs/dbraw/zinc/42/84/18/571428418.db2.gz KHIFTCBRODJGFQ-UPHRSURJSA-N 0 0 502.189 5.875 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc(-c5ccc(Cl)c(Cl)c5)ccc4c3N)cc2)cc1 ZINC000113481497 571439096 /nfs/dbraw/zinc/43/90/96/571439096.db2.gz VTBRHDYJIGSAID-FZSIALSZSA-N 0 0 586.544 9.124 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4c(F)cccc4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560266 571439937 /nfs/dbraw/zinc/43/99/37/571439937.db2.gz CYIWGGLGAGVKPH-LTDXDOBXSA-N 0 0 572.021 5.397 50 30 KKEARN N#Cc1c(N)nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c1-c1ccc(Cl)cc1 ZINC000113561142 571440211 /nfs/dbraw/zinc/44/02/11/571440211.db2.gz OAUFTEFHZSFNGW-VAWYXSNFSA-N 0 0 556.072 6.863 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccc(Cl)cc4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113561892 571440271 /nfs/dbraw/zinc/44/02/71/571440271.db2.gz PKWYKNBKHIURBN-VXFXUCHBSA-N 0 0 588.476 5.912 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000113562961 571440496 /nfs/dbraw/zinc/44/04/96/571440496.db2.gz ZMYUJLDGEJXKGW-WUKNDPDISA-N 0 0 606.172 9.384 50 30 KKEARN N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc3ccccc32)nc1Sc1ncccc1[N+](=O)[O-] ZINC000113562708 571440520 /nfs/dbraw/zinc/44/05/20/571440520.db2.gz SJDVVKIPJIYSKM-UHFFFAOYSA-N 0 0 528.515 7.914 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)c1 ZINC000113563869 571440576 /nfs/dbraw/zinc/44/05/76/571440576.db2.gz DUKORZRDQPHODT-SDFCAVLBSA-N 0 0 601.753 8.373 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3F)c12 ZINC000113564225 571440678 /nfs/dbraw/zinc/44/06/78/571440678.db2.gz NPSVRKWATSXQTJ-FOCLMDBBSA-N 0 0 610.135 9.215 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)C1=C2OS(=O)(=O)c2cc(OC)c(OC)cc21 ZINC000136689353 571449672 /nfs/dbraw/zinc/44/96/72/571449672.db2.gz RTHZOIXYWPCCCZ-HSZRJFAPSA-N 0 0 545.407 5.216 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC(O)(c3ccc(C)cc3)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000137067814 571450234 /nfs/dbraw/zinc/45/02/34/571450234.db2.gz SNZSILOAVKEFKN-WJOKGBTCSA-N 0 0 547.651 6.217 50 30 KKEARN CCOC(=O)[C@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)[C@@H]1C(=O)OCC ZINC000142732756 571456025 /nfs/dbraw/zinc/45/60/25/571456025.db2.gz XTNHWAXQKTXPEU-JVKPEARNSA-N 0 0 578.521 7.246 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1O[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000144109625 571456336 /nfs/dbraw/zinc/45/63/36/571456336.db2.gz QFILBKCHKGLJKP-UHFFFAOYSA-O 0 0 595.738 7.723 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc(C2(c3ccc(/N=C/c4cc(Br)ccc4O)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000150343695 571459076 /nfs/dbraw/zinc/45/90/76/571459076.db2.gz GMHBZDUPIHUGTI-OHTZCZJBSA-N 0 0 714.457 10.487 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150343777 571459125 /nfs/dbraw/zinc/45/91/25/571459125.db2.gz AUFAGMAKCNOJNR-GWWFNUOLSA-N 0 0 980.146 10.364 50 30 KKEARN F[C@@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344119 571459190 /nfs/dbraw/zinc/45/91/90/571459190.db2.gz MEXQRXXROOSHGK-YYJVTRPKSA-N 0 0 950.120 11.001 50 30 KKEARN C#CCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O ZINC000150345379 571459824 /nfs/dbraw/zinc/45/98/24/571459824.db2.gz QCPUMGCDUPXTGU-YVLHZVERSA-N 0 0 646.200 5.053 50 30 KKEARN O=C(Oc1c(Br)cc(/C=N/c2ccc(/N=C/c3cc(Br)c(OC(=O)c4ccccc4)c(Br)c3)cc2)cc1Br)c1ccccc1 ZINC000150346872 571460719 /nfs/dbraw/zinc/46/07/19/571460719.db2.gz SUWSQPAZKOYYOC-DVIGQUAASA-N 0 0 840.160 10.676 50 30 KKEARN NS(=O)(=O)c1ccc(CCn2cc(/C=N/OCc3ccc(Cl)cc3Cl)c(O)c(Cc3c(F)cccc3Cl)c2=O)cc1 ZINC000150346901 571460773 /nfs/dbraw/zinc/46/07/73/571460773.db2.gz YSHSJEHVEXJTPD-HBHSWBPBSA-N 0 0 638.932 5.685 50 30 KKEARN O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000150347607 571460892 /nfs/dbraw/zinc/46/08/92/571460892.db2.gz RDOWGIMCLCAGHK-UHFFFAOYSA-N 0 0 660.408 5.611 50 30 KKEARN O=C(Oc1ccccc1Cl)c1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C(=O)Oc5ccccc5Cl)cc4)cc3)cc2)cc1 ZINC000150348412 571461082 /nfs/dbraw/zinc/46/10/82/571461082.db2.gz JORHPYGOJBBDQB-FYAXVHQVSA-N 0 0 683.591 10.524 50 30 KKEARN Cc1ccc(C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000150348869 571461179 /nfs/dbraw/zinc/46/11/79/571461179.db2.gz YDAYIFOOZZVAGE-CWAJCWQHSA-N 0 0 646.747 7.903 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000150348864 571461255 /nfs/dbraw/zinc/46/12/55/571461255.db2.gz NDBLEXDJLREHJJ-PEBWWBBQSA-N 0 0 632.720 7.595 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3/N=C/c3ccc(OC(=O)c4ccc(OC)cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 ZINC000150349106 571461478 /nfs/dbraw/zinc/46/14/78/571461478.db2.gz CAJYMCGKARMNJO-DITNJDIQSA-N 0 0 674.622 7.460 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150349731 571461625 /nfs/dbraw/zinc/46/16/25/571461625.db2.gz GELIGHKGWPOTMD-PRAQEBQASA-N 0 0 640.571 6.721 50 30 KKEARN COc1cc(-c2ccc(/N=C/c3cccc(I)c3O)c(OC)c2)ccc1/N=C/c1cccc(I)c1O ZINC000150350614 571461960 /nfs/dbraw/zinc/46/19/60/571461960.db2.gz LHGANPHXBXFKKI-IHXWQEJPSA-N 0 0 704.302 7.492 50 30 KKEARN O=C(Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1ccc(Br)o1 ZINC000150350956 571462012 /nfs/dbraw/zinc/46/20/12/571462012.db2.gz SPWCDBNAIYQNNB-UHFFFAOYSA-N 0 0 616.124 7.353 50 30 KKEARN O=C(CCCCCCC(=O)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000150352011 571462358 /nfs/dbraw/zinc/46/23/58/571462358.db2.gz QLMPALYJNQAMFE-XEMPJQOTSA-N 0 0 742.658 7.063 50 30 KKEARN OC(c1ccccc1)(c1ccccc1)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000150352309 571462414 /nfs/dbraw/zinc/46/24/14/571462414.db2.gz ONXVYKQEANDRAX-UHFFFAOYSA-N 0 0 706.436 9.913 50 30 KKEARN COc1ccc([C@@](Cl)(c2ccccc2)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000150352314 571462416 /nfs/dbraw/zinc/46/24/16/571462416.db2.gz FSYYFUVFEYRUHN-HSZRJFAPSA-N 0 0 754.908 11.168 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c(C)c2)ccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000150352359 571462436 /nfs/dbraw/zinc/46/24/36/571462436.db2.gz AABODHZDNVVQJK-IHXWQEJPSA-N 0 0 636.300 8.813 50 30 KKEARN O=C(OCc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)ON1C(=O)CCC1=O ZINC000150353273 571462695 /nfs/dbraw/zinc/46/26/95/571462695.db2.gz DLEHONFUGNNFOG-UHFFFAOYSA-N 0 0 695.322 7.346 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000150353608 571462791 /nfs/dbraw/zinc/46/27/91/571462791.db2.gz XQMWEDJEIJMOHK-ITYLOYPMSA-N 0 0 643.568 6.888 50 30 KKEARN CCCCCCCCCCCCSc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(SCCCCCCCCCCCC)n1 ZINC000150353730 571462880 /nfs/dbraw/zinc/46/28/80/571462880.db2.gz WLGAEQZSNDWKKU-UHFFFAOYSA-N 0 0 664.086 13.385 50 30 KKEARN O=c1[nH]c2ccc(Nc3nc4no[nH]c-4nc3=NN=Cc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000150357892 571463471 /nfs/dbraw/zinc/46/34/71/571463471.db2.gz RWXHQDANNPMACD-OOEWDAAOSA-N 0 0 720.169 6.783 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150362474 571464018 /nfs/dbraw/zinc/46/40/18/571464018.db2.gz SDXZYZYKKTWHPP-FAJAYPPOSA-N 0 0 693.434 9.122 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000150364595 571464441 /nfs/dbraw/zinc/46/44/41/571464441.db2.gz ZJEATMIYOZOGFA-XPSQVAKYSA-N 0 0 764.872 6.919 50 30 KKEARN FC(F)(F)c1cc(Oc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)nc(Oc3ccc(Cl)c(C(F)(F)F)c3)n2)ccc1Cl ZINC000150366916 571464883 /nfs/dbraw/zinc/46/48/83/571464883.db2.gz DSJVVKSKSNENBN-UHFFFAOYSA-N 0 0 663.707 10.870 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@H](c1ccc(Br)cc1)S[C@H]2c1ccc(Br)cc1 ZINC000150382464 571467189 /nfs/dbraw/zinc/46/71/89/571467189.db2.gz FOEHBYHVSZHDSR-RPWUZVMVSA-N 0 0 669.489 8.392 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000150384227 571468118 /nfs/dbraw/zinc/46/81/18/571468118.db2.gz MCGHFCKDROLGQY-DMTNHVFBSA-N 0 0 641.042 6.114 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150384575 571468359 /nfs/dbraw/zinc/46/83/59/571468359.db2.gz CWDFQKGJCFRUKO-WRGVRERRSA-N 0 0 640.571 6.721 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150384848 571468431 /nfs/dbraw/zinc/46/84/31/571468431.db2.gz RUDYKJUPJSBFLF-RZDMPUFOSA-N 0 0 652.641 6.380 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000150385565 571469008 /nfs/dbraw/zinc/46/90/08/571469008.db2.gz OWQSYSUQJIASIT-DCEDVJGZSA-N 0 0 628.644 6.433 50 30 KKEARN CCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCC)c(Br)s2)sc1Br ZINC000150387437 571470031 /nfs/dbraw/zinc/47/00/31/571470031.db2.gz HTSYYLNTMSXYHZ-UHFFFAOYSA-N 0 0 660.710 13.928 50 30 KKEARN COc1ccc(NC(=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000150387944 571470452 /nfs/dbraw/zinc/47/04/52/571470452.db2.gz DDDHODALMOODOX-UHFFFAOYSA-N 0 0 635.507 5.959 50 30 KKEARN O=C(N1CCN(C(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)CC1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150391132 571473454 /nfs/dbraw/zinc/47/34/54/571473454.db2.gz GPRBBZUZAZTBCN-YUMQZZPRSA-N 0 0 710.206 5.727 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)N(C1CCCCC1)C1CCCCC1)C(F)(F)F ZINC000150391286 571473484 /nfs/dbraw/zinc/47/34/84/571473484.db2.gz SQMUKKMIHYZRSE-MUUNZHRXSA-N 0 0 682.684 9.083 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150391459 571473734 /nfs/dbraw/zinc/47/37/34/571473734.db2.gz LQTAZKTZXRIQGE-UHFFFAOYSA-N 0 0 770.242 12.020 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@@]2(Nc3ccc(Br)cc3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000150396765 571476719 /nfs/dbraw/zinc/47/67/19/571476719.db2.gz KTRDFSBJTBCQAG-SFHVURJKSA-N 0 0 642.013 6.464 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@H](c3ccc(OCc4ccc(Cl)cc4Cl)cc3)O2)c1C#N ZINC000150397215 571476797 /nfs/dbraw/zinc/47/67/97/571476797.db2.gz BHRBBHYDDJOJBA-MHZLTWQESA-N 0 0 634.314 6.326 50 30 KKEARN Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150397651 571476954 /nfs/dbraw/zinc/47/69/54/571476954.db2.gz AKRQSAPJQHJSEV-UHFFFAOYSA-N 0 0 620.387 7.180 50 30 KKEARN C=CCn1c(=O)c(=C2Sc3ccc(OC)cc3N2CC)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1cccc(Br)c1 ZINC000150399408 571477571 /nfs/dbraw/zinc/47/75/71/571477571.db2.gz QQZPYPBIXQDEST-BENVAKDZSA-N 0 0 660.619 5.188 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000150400491 571477985 /nfs/dbraw/zinc/47/79/85/571477985.db2.gz NYGXGFMABGNCBA-XBBWARJSSA-N 0 0 646.600 6.141 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)ccc1OCc1ccc(C)cc1 ZINC000150401054 571478202 /nfs/dbraw/zinc/47/82/02/571478202.db2.gz ZHQJWGQFCYMNHN-FZPRHHONSA-N 0 0 652.981 6.518 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000150401344 571478303 /nfs/dbraw/zinc/47/83/03/571478303.db2.gz HAMWMRUKAKBIBD-GDJIYFAZSA-N 0 0 646.600 6.141 50 30 KKEARN CCCCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)n([C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O ZINC000150401820 571478351 /nfs/dbraw/zinc/47/83/51/571478351.db2.gz SXBULBHXQDAZDK-RBWJYHTGSA-N 0 0 738.790 5.925 50 30 KKEARN C#Cc1cccc(N2C(=O)c3ccc(C(=O)Oc4ccc(Oc5ccc(OC(=O)c6ccc7c(c6)C(=O)c6cc(C#C)ccc6C7=O)cc5)cc4)cc3C2=O)c1 ZINC000150402740 571478493 /nfs/dbraw/zinc/47/84/93/571478493.db2.gz PGMZVDSXNCWZRB-UHFFFAOYSA-N 0 0 733.688 7.456 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000150409764 571482134 /nfs/dbraw/zinc/48/21/34/571482134.db2.gz AOELLSRNDQRGSZ-DFXYEROKSA-N 0 0 634.523 6.156 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)c(N)c32)c(OC)c1 ZINC000150425820 571489995 /nfs/dbraw/zinc/48/99/95/571489995.db2.gz HXDDMLNOWSBKLP-HMMYKYKNSA-N 0 0 653.804 9.502 50 30 KKEARN C[C@H](Sc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000150426063 571490400 /nfs/dbraw/zinc/49/04/00/571490400.db2.gz NAIBSKDRQMNTJV-LHCVQUHKSA-N 0 0 686.859 8.533 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2)o1 ZINC000150426180 571490429 /nfs/dbraw/zinc/49/04/29/571490429.db2.gz USTZHETUOQGYQQ-YEWAXSNQSA-N 0 0 716.885 8.542 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)cc2)o1 ZINC000150426191 571490639 /nfs/dbraw/zinc/49/06/39/571490639.db2.gz USTZHETUOQGYQQ-LHCVQUHKSA-N 0 0 716.885 8.542 50 30 KKEARN COc1ccc(/C=N/c2cc(Cc3ccc(O)c(/N=C/c4ccc(OC)c(Br)c4)c3)ccc2O)cc1Br ZINC000150426891 571491159 /nfs/dbraw/zinc/49/11/59/571491159.db2.gz AYKADYDEWZMECZ-CBLSGYJOSA-N 0 0 624.329 7.732 50 30 KKEARN C[C@@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cc2ccc(NC(=O)CSC(=S)N3CCCC[C@H]3C)c(C#N)c2)cc1C#N ZINC000150427513 571491598 /nfs/dbraw/zinc/49/15/98/571491598.db2.gz FTDUDUPHZFGYMZ-DHIUTWEWSA-N 0 0 678.975 6.683 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCc4ccccc4C3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCc2ccccc2C1 ZINC000150427659 571491828 /nfs/dbraw/zinc/49/18/28/571491828.db2.gz AWFQGBSRXITORU-UHFFFAOYSA-N 0 0 747.009 7.051 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435813 571495872 /nfs/dbraw/zinc/49/58/72/571495872.db2.gz ABNUZXPLZCMGGZ-KFLIVHAJSA-N 0 0 634.710 6.980 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435696 571495883 /nfs/dbraw/zinc/49/58/83/571495883.db2.gz CVRCQYXBOWAUFY-WPKYSNMOSA-N 0 0 662.764 7.622 50 30 KKEARN CCCCCCCCCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCCCCCCCC)C2=O)SC1=S ZINC000150436379 571496302 /nfs/dbraw/zinc/49/63/02/571496302.db2.gz VRTMPVRHBGDWIZ-OCEACIFDSA-N 0 0 658.974 7.286 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445483 571500347 /nfs/dbraw/zinc/50/03/47/571500347.db2.gz OTHZNQOVQVMABW-VGZNNGDKSA-N 0 0 635.767 7.332 50 30 KKEARN CCCCCCCCCCCCCCCCCCN(C)c1nc(Sc2nc3ccccc3s2)nc(Sc2nc3ccccc3s2)n1 ZINC000150453555 571503591 /nfs/dbraw/zinc/50/35/91/571503591.db2.gz WZQRSULACUZKGM-UHFFFAOYSA-N 0 0 693.090 12.091 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000150456473 571504478 /nfs/dbraw/zinc/50/44/78/571504478.db2.gz ZYHCKQCFPXWTBE-QMMFTLRZSA-N 0 0 661.519 10.115 50 30 KKEARN COc1ccc(CN(CC(C)C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000150460115 571505927 /nfs/dbraw/zinc/50/59/27/571505927.db2.gz IKLKQZXYOKRLCX-UHFFFAOYSA-N 0 0 657.551 7.818 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469466 571508590 /nfs/dbraw/zinc/50/85/90/571508590.db2.gz UZYONSMJFVBLET-VEZPTTSMSA-N 0 0 708.258 7.849 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000150472567 571510007 /nfs/dbraw/zinc/51/00/07/571510007.db2.gz AZXSNBDMSYYFJF-YBZKQSBQSA-N 0 0 661.861 8.094 50 30 KKEARN Cc1cccc(C)c1NC=C1C(=O)C(=O)C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)C(=CNc3c(C)cccc3C)C(=O)C(=O)C4C(C)C)c(O)c21 ZINC000150473898 571510291 /nfs/dbraw/zinc/51/02/91/571510291.db2.gz YWJYSUBSSNQNNW-QXLZFTBOSA-N 0 0 724.898 10.537 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000150473195 571510365 /nfs/dbraw/zinc/51/03/65/571510365.db2.gz ZOGWNZFMTIWZLA-AFJIDDCJSA-N 0 0 644.559 5.815 50 30 KKEARN Nc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1 ZINC000150477829 571511205 /nfs/dbraw/zinc/51/12/05/571511205.db2.gz ZRHJNHCQLXIJRC-UHFFFAOYSA-N 0 0 881.395 7.563 50 30 KKEARN O=C(CSc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150477032 571511277 /nfs/dbraw/zinc/51/12/77/571511277.db2.gz YBOLRVOLLSUKJP-UHFFFAOYSA-N 0 0 623.928 8.980 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150479716 571511818 /nfs/dbraw/zinc/51/18/18/571511818.db2.gz IPCQOUJRKRXLAC-QJWGWKRISA-N 0 0 640.571 6.721 50 30 KKEARN Cc1c(C(=O)C(F)(F)F)c(-c2nn(-c3ccccc3)c(NC(=O)C(F)(F)F)c2C(=O)C(F)(F)F)c(C)n1-c1ccc(F)cc1 ZINC000150479865 571511951 /nfs/dbraw/zinc/51/19/51/571511951.db2.gz BJYCPFKTACAJQI-UHFFFAOYSA-N 0 0 634.430 7.077 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150481601 571512701 /nfs/dbraw/zinc/51/27/01/571512701.db2.gz XCTRDSDCLNGCQB-XSZPGNIMSA-N 0 0 734.422 6.154 50 30 KKEARN COc1ccc(Nc2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000150482085 571512957 /nfs/dbraw/zinc/51/29/57/571512957.db2.gz KBKDTKGSXPVDPF-XQQUEIPISA-N 0 0 654.564 8.671 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c(OC)c1 ZINC000150484916 571515392 /nfs/dbraw/zinc/51/53/92/571515392.db2.gz NKMPSPUYGIJCJE-NGIFANIDSA-N 0 0 631.779 8.381 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000150484899 571515428 /nfs/dbraw/zinc/51/54/28/571515428.db2.gz CXRUTQBJNYNXSF-ZJIOXEHGSA-N 0 0 669.750 9.392 50 30 KKEARN O=P(Oc1ccccc1)(O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150498836 571518406 /nfs/dbraw/zinc/51/84/06/571518406.db2.gz YPPNORZEXLOFMQ-PMACEKPBSA-N 0 0 790.378 11.626 50 30 KKEARN Cc1ccc(Nc2nc(N=NCn3cc(Cc4ccc(Cl)cc4Cl)c4ccccc43)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000150507073 571519259 /nfs/dbraw/zinc/51/92/59/571519259.db2.gz TUMLTQKCBXMBMK-RSEYIHLLSA-N 0 0 675.668 9.139 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509433 571519705 /nfs/dbraw/zinc/51/97/05/571519705.db2.gz OVYADSCBGFDTPC-WRONEBCDSA-N 0 0 644.559 5.900 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150510339 571519817 /nfs/dbraw/zinc/51/98/17/571519817.db2.gz GKVCKYCEEJOVDO-IANOAQMISA-N 0 0 676.604 7.021 50 30 KKEARN Cn1c(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc2ccccc21 ZINC000150553343 571520977 /nfs/dbraw/zinc/52/09/77/571520977.db2.gz HXRUUQLDAKKLKH-ZYHUDNBSSA-N 0 0 625.235 6.384 50 30 KKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc2s/c(=N/NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n(C)c2c1 ZINC000150581863 571521886 /nfs/dbraw/zinc/52/18/86/571521886.db2.gz VRJWFDXLKWEQFQ-QOSDPKFLSA-N 0 0 716.030 5.783 50 30 KKEARN COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(C#N)cc3)N(c3ccccc3)C2=O)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000150590610 571521964 /nfs/dbraw/zinc/52/19/64/571521964.db2.gz WJXYKAIJXAWAPJ-YKQZZPSBSA-N 0 0 637.161 7.532 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150599272 571522545 /nfs/dbraw/zinc/52/25/45/571522545.db2.gz CENIVRJBHBGMJO-GSFJQCGGSA-N 0 0 646.769 5.615 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 ZINC000150625500 571523708 /nfs/dbraw/zinc/52/37/08/571523708.db2.gz YIVKNYGSDRLGHB-FWGANANOSA-N 0 0 640.689 5.896 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150640498 571524644 /nfs/dbraw/zinc/52/46/44/571524644.db2.gz GRFQNIODCMYPLE-SVXDAGRPSA-N 0 0 667.585 5.588 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2ccc(OCC)cc2)C(=O)Nc2ccc(OCC)cc2)cc1C ZINC000150656792 571527060 /nfs/dbraw/zinc/52/70/60/571527060.db2.gz QGSVCWYRMJZDEI-UHFFFAOYSA-N 0 0 642.756 7.871 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000150662675 571527851 /nfs/dbraw/zinc/52/78/51/571527851.db2.gz YKPLFDHMTBDKTJ-KJYTXNCISA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000150663302 571527990 /nfs/dbraw/zinc/52/79/90/571527990.db2.gz QSTAMEPSOLLUIP-NIJXNBFTSA-N 0 0 629.537 6.721 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)S/C1=N\c1ccc(OC)cc1 ZINC000150663635 571528177 /nfs/dbraw/zinc/52/81/77/571528177.db2.gz XOXVHLAOFVHZJK-RYJLTYISSA-N 0 0 649.348 7.265 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 ZINC000150663928 571528474 /nfs/dbraw/zinc/52/84/74/571528474.db2.gz VUQMHOVKFSRDHQ-PMACEKPBSA-N 0 0 645.199 6.268 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)c(C)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000159440238 571530407 /nfs/dbraw/zinc/53/04/07/571530407.db2.gz FLPUMUBDOSZEAH-WJTYMRCSSA-N 0 0 688.806 5.840 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@H](OCc3ccccc3)O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000198686688 571567988 /nfs/dbraw/zinc/56/79/88/571567988.db2.gz FXEMNUKLELAQSW-GWDGMKGKSA-N 0 0 666.770 5.207 50 30 KKEARN CCCCCCc1ccc(C(=O)Oc2ccc(NC(=O)C(F)(F)C(F)(F)N3C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc2)cc1 ZINC000198696506 571568392 /nfs/dbraw/zinc/56/83/92/571568392.db2.gz RWLBDTPDQOGRMD-UHFFFAOYSA-N 0 0 638.449 7.967 50 30 KKEARN N=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000198712900 571568732 /nfs/dbraw/zinc/56/87/32/571568732.db2.gz IPPHDEKJJJFSTE-CXRMGWTHSA-N 0 0 514.545 6.886 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@@H](c4ccc(OC)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@@H](c2ccc(OC)cc2)O1 ZINC000198726874 571568772 /nfs/dbraw/zinc/56/87/72/571568772.db2.gz OABRSISNWOZJJZ-YDAXCOIMSA-N 0 0 742.869 8.142 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@H](c4ccc(Cl)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@H](c2ccc(Cl)cc2)O1 ZINC000198726976 571568891 /nfs/dbraw/zinc/56/88/91/571568891.db2.gz PETUERHDTWFKLF-FZNHDDJXSA-N 0 0 751.707 9.432 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc4ncccc43)c2C#N)cc1 ZINC000215676975 571584674 /nfs/dbraw/zinc/58/46/74/571584674.db2.gz KTDLOSSQTYQFEY-UHFFFAOYSA-N 0 0 516.626 6.883 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000215706090 571584987 /nfs/dbraw/zinc/58/49/87/571584987.db2.gz UXGMTWYDXNRTFQ-UHFFFAOYSA-N 0 0 520.536 6.440 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(/N=C/c4cccnc4Cl)cc3)sc2C1 ZINC000215720832 571585332 /nfs/dbraw/zinc/58/53/32/571585332.db2.gz NRWYLYJJDQYYNS-UHRFHUGISA-N 0 0 523.127 7.301 50 30 KKEARN C[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000215720519 571585340 /nfs/dbraw/zinc/58/53/40/571585340.db2.gz XDGIZRPVUKDENW-PMTILORFSA-N 0 0 535.872 7.180 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000217603691 571601846 /nfs/dbraw/zinc/60/18/46/571601846.db2.gz LFIDVVLGZFQXDM-ZYKLXPEUSA-N 0 0 583.703 5.268 50 30 KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)c1OC ZINC000218124432 571603705 /nfs/dbraw/zinc/60/37/05/571603705.db2.gz PJDDNSRQOCYBFI-ZMIIAFDNSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000220970238 571604181 /nfs/dbraw/zinc/60/41/81/571604181.db2.gz IIGFXHVVOLPJCY-HNNXBMFYSA-N 0 0 500.093 6.330 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000222354294 571605185 /nfs/dbraw/zinc/60/51/85/571605185.db2.gz GBVIOVMRLAXHNM-PAPQREIWSA-N 0 0 588.520 5.612 50 30 KKEARN C[C@@H]1CC(=O)C=C2CC[C@H]3[C@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@@H]7CC[C@]56C)[C@@]4(C)CC[C@H]3[C@]21C ZINC000261490467 572108989 /nfs/dbraw/zinc/10/89/89/572108989.db2.gz SUDAZYBPONYEQT-BSHHSJQFSA-N 0 0 596.900 9.339 50 30 KKEARN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(OC)c(OC)c4)coc-3c21 ZINC000263584787 572115237 /nfs/dbraw/zinc/11/52/37/572115237.db2.gz ARKJFANJPSRHKI-LJQANCHMSA-N 0 0 514.530 5.579 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cc(Br)cc5c3OCOC5)CC(=O)O4)C2=O)cc1 ZINC000263584793 572115340 /nfs/dbraw/zinc/11/53/40/572115340.db2.gz ASDJEMNJUNRMLE-PALIHHQBSA-N 0 0 535.346 5.381 50 30 KKEARN CCC(CC)C(=O)Nc1cccc(C(=O)C2=Cc3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 ZINC000263584757 572115453 /nfs/dbraw/zinc/11/54/53/572115453.db2.gz AFKXGPWLNUVHSI-UHFFFAOYSA-N 0 0 529.431 5.273 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc2c(c1)N(C)C(=O)CO2)N(C)CC4 ZINC000263584772 572115526 /nfs/dbraw/zinc/11/55/26/572115526.db2.gz ALNBCIIYZRJPLG-UHFFFAOYSA-N 0 0 568.626 5.094 50 30 KKEARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccccc3OC)C5=O)o2)c1 ZINC000263584861 572115531 /nfs/dbraw/zinc/11/55/31/572115531.db2.gz BPZPCUHKKBSPLO-CHVMBPBASA-N 0 0 580.545 5.586 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C2=O)cc1 ZINC000263585023 572116504 /nfs/dbraw/zinc/11/65/04/572116504.db2.gz DHRJAOLKAAPTKJ-GJVLPJBHSA-N 0 0 533.536 5.504 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4ccccc4)c1)N(C)CC3)OCO2 ZINC000263585077 572116516 /nfs/dbraw/zinc/11/65/16/572116516.db2.gz DWNRJBUQDOXDMS-UHFFFAOYSA-N 0 0 535.394 5.150 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C1=O)cn2C ZINC000263585385 572118259 /nfs/dbraw/zinc/11/82/59/572118259.db2.gz IASANKRFJNVKSM-ALORDFFLSA-N 0 0 505.526 5.672 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3cc(OC)c5c(c3)OCCO5)CC(=O)O4)C1=O)cn2C ZINC000263585460 572118890 /nfs/dbraw/zinc/11/88/90/572118890.db2.gz IXSWSOCFASCZQB-YCIJSJTNSA-N 0 0 539.540 5.024 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586638 572124258 /nfs/dbraw/zinc/12/42/58/572124258.db2.gz WIDDWYPTEMWYEL-XHJTYRDXSA-N 0 0 518.525 5.498 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3coc5ccc(OC)cc5c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586936 572125818 /nfs/dbraw/zinc/12/58/18/572125818.db2.gz ZWOGETLRZGRAPS-NEQBJYQUSA-N 0 0 549.535 5.359 50 30 KKEARN CCCCCCCCOc1ccc([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000263588565 572126468 /nfs/dbraw/zinc/12/64/68/572126468.db2.gz VUCAMLLKTSEXDB-NDEPHWFRSA-N 0 0 562.707 6.110 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)C1 ZINC000226074221 572127404 /nfs/dbraw/zinc/12/74/04/572127404.db2.gz YWLABHUOLCHSHL-HTOJEEBVSA-N 0 0 590.771 8.963 50 30 KKEARN CCOC(=O)C(C#N)(CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21)CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21 ZINC000226074577 572127741 /nfs/dbraw/zinc/12/77/41/572127741.db2.gz LQKKOPKJBVRAGI-UHFFFAOYSA-N 0 0 663.818 8.885 50 30 KKEARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc21 ZINC000226074594 572127848 /nfs/dbraw/zinc/12/78/48/572127848.db2.gz BMNOFCPGILAWEY-UHFFFAOYSA-N 0 0 534.744 7.862 50 30 KKEARN FC(F)(F)c1cc(Cl)c2c(/C=N/OCc3ccc(Cl)cc3)nc(-c3c(Cl)cccc3Cl)n2c1 ZINC000263639614 572132631 /nfs/dbraw/zinc/13/26/31/572132631.db2.gz AIRMJKSUPIUPLO-OOEWDAAOSA-N 0 0 533.164 8.184 50 30 KKEARN COc1cc(C(=O)NC[C@@H]2C[C@@H](OC(=O)c3ccc(OC4CCCC4)c(OC)c3)CN2C)ccc1OC1CCCC1 ZINC000328596988 572145988 /nfs/dbraw/zinc/14/59/88/572145988.db2.gz CFGZBQJGKSQRFC-JYFHCDHNSA-N 0 0 566.695 5.581 50 30 KKEARN O=C(Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1)c1nc[nH]c1C(=O)N1CCCCC1 ZINC000328597240 572146178 /nfs/dbraw/zinc/14/61/78/572146178.db2.gz GENULKIYDAPTJP-UHFFFAOYSA-N 0 0 515.795 5.319 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000227068426 572149119 /nfs/dbraw/zinc/14/91/19/572149119.db2.gz JKDKXOHPUDDMIF-ZGIBFIJWSA-N 0 0 567.513 7.784 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000227086524 572150359 /nfs/dbraw/zinc/15/03/59/572150359.db2.gz QEYSIYPZLGDOJI-KMYBWBIFSA-N 0 0 570.645 6.204 50 30 KKEARN COc1ccc(Nc2ccc(C(=O)N=C3C=CC(=NNc4ccccc4)C=C3)cc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000334158076 572152948 /nfs/dbraw/zinc/15/29/48/572152948.db2.gz NEWJNCVDQVXAPG-UHFFFAOYSA-N 0 0 654.564 6.546 50 30 KKEARN CCCCCCCCN=C1N=C2C=CC(C)=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158197 572153076 /nfs/dbraw/zinc/15/30/76/572153076.db2.gz XPOQJNAFWCRFFZ-WOLHUPFFSA-N 0 0 548.756 5.201 50 30 KKEARN CC(C)Cc1ccc([C@H](C)C(=O)N=C2C=CC(S(=O)(=O)c3ccc(NC(=O)[C@@H](C)c4ccc(CC(C)C)cc4)cc3)C=C2)cc1 ZINC000334158578 572153383 /nfs/dbraw/zinc/15/33/83/572153383.db2.gz VUTVCSTWCKNGGB-NSOVKSMOSA-N 0 0 624.847 8.012 50 30 KKEARN CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C2/C=Nc3ccc(Br)cc32)c2ccccc21 ZINC000334158676 572153413 /nfs/dbraw/zinc/15/34/13/572153413.db2.gz DYCVLKMXABVYHZ-KIMZHOAUSA-N 0 0 573.663 11.447 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(Cl)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000229616088 572156891 /nfs/dbraw/zinc/15/68/91/572156891.db2.gz VHOGVTWOODQXFF-NWDGNEFISA-N 0 0 554.046 5.228 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000229652113 572158986 /nfs/dbraw/zinc/15/89/86/572158986.db2.gz SRROSFRNULPCOD-CPJIJYJCSA-N 0 0 569.592 5.710 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229873582 572164681 /nfs/dbraw/zinc/16/46/81/572164681.db2.gz UNHZVXPJGSIDBW-RSYZFUPGSA-N 0 0 587.857 5.480 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(Cl)c1O ZINC000229948809 572172995 /nfs/dbraw/zinc/17/29/95/572172995.db2.gz OMEPAFNYWRWEQK-UBUJSBSDSA-N 0 0 556.030 5.667 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000229945953 572173062 /nfs/dbraw/zinc/17/30/62/572173062.db2.gz GCEOMUVANKVBLZ-UYDITSSVSA-N 0 0 549.689 5.175 50 30 KKEARN C=C1O[C@]2(c3ccccc3)C(=C1C(C)=O)C(c1ccccc1)[C@@H]1Sc3ccccc3N1[C@H]2C(=O)c1ccccc1 ZINC000229985969 572176516 /nfs/dbraw/zinc/17/65/16/572176516.db2.gz WAPSUYINEWONMB-PUPDPRJKSA-N 0 0 541.672 7.432 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000230034059 572180505 /nfs/dbraw/zinc/18/05/05/572180505.db2.gz YSNSRQGCCMWRQX-KSNOWIBYSA-N 0 0 557.565 5.428 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000230033938 572180529 /nfs/dbraw/zinc/18/05/29/572180529.db2.gz RRSHAESVOXJHLJ-NQHRYMMQSA-N 0 0 578.637 5.554 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000230034115 572180595 /nfs/dbraw/zinc/18/05/95/572180595.db2.gz SRROSFRNULPCOD-SOOJPDKZSA-N 0 0 569.592 5.710 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000230033839 572180629 /nfs/dbraw/zinc/18/06/29/572180629.db2.gz YCLXLRHBBSQOFU-UKDVSSAZSA-N 0 0 623.634 5.462 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000230035995 572181113 /nfs/dbraw/zinc/18/11/13/572181113.db2.gz BPYURBSTCWJQFU-SOOJPDKZSA-N 0 0 586.047 6.224 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cccc(Cl)c3N2[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000230062091 572182138 /nfs/dbraw/zinc/18/21/38/572182138.db2.gz QZZZZIXCQPOXGF-JBRSBNLGSA-N 0 0 514.810 6.387 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000230126512 572183810 /nfs/dbraw/zinc/18/38/10/572183810.db2.gz URNFQEMZFRRMRL-UKOABYEESA-N 0 0 625.718 5.997 50 30 KKEARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000230144231 572184425 /nfs/dbraw/zinc/18/44/25/572184425.db2.gz MQAFQLQGIRXNRR-UKPGIYTDSA-N 0 0 502.662 7.351 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000230187939 572184841 /nfs/dbraw/zinc/18/48/41/572184841.db2.gz UGAKWIOOXYVLFF-ZJSPYRCASA-N 0 0 542.513 5.083 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000230204174 572185322 /nfs/dbraw/zinc/18/53/22/572185322.db2.gz LXZXHMCNMUUBHI-MWGIVGCISA-N 0 0 528.483 7.180 50 30 KKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)C[C@@H](c5ccc(F)cc5)CC4=Nc4nc5ccccc5n43)cc21 ZINC000231434496 572187524 /nfs/dbraw/zinc/18/75/24/572187524.db2.gz WDLBUGQLPJCGDD-MNSNBHKMSA-N 0 0 520.652 7.313 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C(=Nc3ccc(CC)cc3)S2)cc1 ZINC000239165258 572191077 /nfs/dbraw/zinc/19/10/77/572191077.db2.gz NUCGMDJORDKNFP-SANMLTNESA-N 0 0 501.652 6.375 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239386669 572194170 /nfs/dbraw/zinc/19/41/70/572194170.db2.gz PWWBCLJSKVOECF-MTVVFAOMSA-N 0 0 667.416 9.031 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242575007 572198676 /nfs/dbraw/zinc/19/86/76/572198676.db2.gz NOCLWIPRQIWFMR-OEDSDGPASA-N 0 0 784.100 9.164 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242575006 572198620 /nfs/dbraw/zinc/19/86/20/572198620.db2.gz NOCLWIPRQIWFMR-CLZSKZOASA-N 0 0 784.100 9.164 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000245189289 572201389 /nfs/dbraw/zinc/20/13/89/572201389.db2.gz MEXQRXXROOSHGK-GNECKCDISA-N 0 0 950.120 11.001 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000245228817 572205704 /nfs/dbraw/zinc/20/57/04/572205704.db2.gz GBJXNJYFFXVPQP-DIKHQHBXSA-N 0 0 658.578 7.742 50 30 KKEARN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(C[C@@H]4C(=O)O[C@@H]5C[C@]6(C)CCCC(=C)[C@@H]6C[C@H]45)OC(C)=O)[C@@H]3C[C@@H]12 ZINC000245237946 572211540 /nfs/dbraw/zinc/21/15/40/572211540.db2.gz MCCXNEZASUGBKE-RSKDIGKNSA-N 0 0 539.713 5.395 50 30 KKEARN O=[N+]([N-]c1ccc(N=Cc2ccccc2)cc1)c1ccc(N=Nc2ccc(N=Cc3ccccc3)cc2)cc1 ZINC000245239684 572213065 /nfs/dbraw/zinc/21/30/65/572213065.db2.gz LPSMSOUCAMKSTD-FJDQWLOTSA-N 0 0 508.585 9.529 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000245240462 572214118 /nfs/dbraw/zinc/21/41/18/572214118.db2.gz UGAKWIOOXYVLFF-KEVKATSASA-N 0 0 542.513 5.083 50 30 KKEARN COc1ccc(C(=O)O[C@H](COc2ccc(/C=C\C(=O)c3ccccc3)cc2)COc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000245240613 572214187 /nfs/dbraw/zinc/21/41/87/572214187.db2.gz QQKORBCYGKFQEE-PECQUITBSA-N 0 0 638.716 8.171 50 30 KKEARN CC(=NOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000245240488 572214192 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CSC(=Nc1ccccc1)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252622409 572269730 /nfs/dbraw/zinc/26/97/30/572269730.db2.gz NUSGPWBKDFITLT-UHFFFAOYSA-N 0 0 505.672 8.107 50 30 KKEARN Cc1cc(N=Cc2ccc(OC(=O)c3ccccc3)cc2)ccc1-c1ccc(N=Cc2ccc(OC(=O)c3ccccc3)cc2)cc1C ZINC000252622358 572269810 /nfs/dbraw/zinc/26/98/10/572269810.db2.gz NTPUCMQHHZELEX-UHFFFAOYSA-N 0 0 628.728 9.910 50 30 KKEARN COc1cc(C=NN(C)c2ccccc2)ccc1Oc1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000252622259 572269811 /nfs/dbraw/zinc/26/98/11/572269811.db2.gz NRIVFQYZGHONTL-UHFFFAOYSA-N 0 0 540.461 7.879 50 30 KKEARN Fc1ccc(COc2ccc(Cl)cc2C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1 ZINC000252623139 572269869 /nfs/dbraw/zinc/26/98/69/572269869.db2.gz OKYVIQKQLNEVFZ-UHFFFAOYSA-N 0 0 523.056 6.275 50 30 KKEARN CCOC(=O)Cn1cc(/C=C2\SC(=Nc3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c2ccccc21 ZINC000252623556 572269966 /nfs/dbraw/zinc/26/99/66/572269966.db2.gz OTYNLZDXPRUDJM-VQYBWQHUSA-N 0 0 505.596 5.003 50 30 KKEARN 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COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000252627664 572270796 /nfs/dbraw/zinc/27/07/96/572270796.db2.gz RYZGGPJHNQMARB-UHFFFAOYSA-N 0 0 552.038 7.046 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000252628104 572270900 /nfs/dbraw/zinc/27/09/00/572270900.db2.gz SICKUEWAUAZJEE-UUHODFECSA-N 0 0 527.580 6.111 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c(Br)c(Br)c1O ZINC000252628139 572270910 /nfs/dbraw/zinc/27/09/10/572270910.db2.gz SJANIYDDBNTBRM-ZNMYEUQISA-N 0 0 556.276 5.566 50 30 KKEARN CCOc1cc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252628401 572270933 /nfs/dbraw/zinc/27/09/33/572270933.db2.gz SPIUREWIBWYYAQ-UHFFFAOYSA-N 0 0 538.516 7.561 50 30 KKEARN COc1cc(C=Nc2ccc3oc(=O)ccc3c2)ccc1OC(=O)c1ccccc1I ZINC000252629106 572271019 /nfs/dbraw/zinc/27/10/19/572271019.db2.gz TYQRUDNEYAGCHZ-UHFFFAOYSA-N 0 0 525.298 5.376 50 30 KKEARN COc1cc(-c2nc3ccccn3c2N=Cc2cc(I)cc(I)c2OC)ccc1O ZINC000252628939 572271042 /nfs/dbraw/zinc/27/10/42/572271042.db2.gz TVEVZFROUQSUDU-UHFFFAOYSA-N 0 0 625.204 5.684 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(-c2ccccc2)cc1 ZINC000252628876 572271053 /nfs/dbraw/zinc/27/10/53/572271053.db2.gz SZXLQVPPFLMMHQ-AVUQHTRWSA-N 0 0 504.080 7.557 50 30 KKEARN N#Cc1c(N=Cc2ccc(OCc3ccc(Br)cc3)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000252629085 572271057 /nfs/dbraw/zinc/27/10/57/572271057.db2.gz TYGFHLSCMXCIDU-UHFFFAOYSA-N 0 0 533.425 8.577 50 30 KKEARN C=CCSc1nc2c(c(-c3cccc(Br)c3)c1C#N)C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252629530 572271163 /nfs/dbraw/zinc/27/11/63/572271163.db2.gz UIKRSYWMJIYBBH-BJOJSJLESA-N 0 0 561.633 9.107 50 30 KKEARN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000252629748 572271168 /nfs/dbraw/zinc/27/11/68/572271168.db2.gz UMVKWBGIWVAUBX-UHFFFAOYSA-N 0 0 561.282 5.585 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3c(OC)cc(OC)cc3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252629931 572271241 /nfs/dbraw/zinc/27/12/41/572271241.db2.gz UQNARTBFPFTVFC-MLEXBIOWSA-N 0 0 502.636 6.646 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cccc(OC)c3OC)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252630173 572271334 /nfs/dbraw/zinc/27/13/34/572271334.db2.gz UWOMYWPRQAFDPB-VBGBYYPASA-N 0 0 513.619 6.040 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3\c4cc([N+](=O)[O-])ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252630697 572271479 /nfs/dbraw/zinc/27/14/79/572271479.db2.gz VDMVUZPMOJHTEU-GGKYPAOWSA-N 0 0 600.609 5.103 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000252631873 572271505 /nfs/dbraw/zinc/27/15/05/572271505.db2.gz VNMCZMBYAKBILZ-VBGBYYPASA-N 0 0 534.609 6.214 50 30 KKEARN CCCCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O ZINC000252632421 572271554 /nfs/dbraw/zinc/27/15/54/572271554.db2.gz VTBHVEBVKDOFPZ-AEVKUXSFSA-N 0 0 522.468 6.827 50 30 KKEARN 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C=CCOc1c(Br)cc(/C=C2\SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000252635511 572271893 /nfs/dbraw/zinc/27/18/93/572271893.db2.gz WXLKTJPTVBDSMP-MVOBOTRASA-N 0 0 591.571 8.455 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O ZINC000252637673 572272128 /nfs/dbraw/zinc/27/21/28/572272128.db2.gz XVSOTSDFPFJYQS-UHFFFAOYSA-N 0 0 530.216 7.101 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252637848 572272136 /nfs/dbraw/zinc/27/21/36/572272136.db2.gz XXKUVDFBLSZHMK-LAGGTETHSA-N 0 0 501.564 6.257 50 30 KKEARN Fc1cccc(Cl)c1COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000252638341 572272140 /nfs/dbraw/zinc/27/21/40/572272140.db2.gz YBJSGXMTKKDZAG-UHFFFAOYSA-N 0 0 506.817 7.934 50 30 KKEARN NC(=O)Cn1cc(/C=C2\SC(=Nc3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000252640248 572272206 /nfs/dbraw/zinc/27/22/06/572272206.db2.gz YSAJTRPYVBUHTQ-PRRVWESOSA-N 0 0 587.543 6.979 50 30 KKEARN 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Cc1ccc(N=C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(C)cc2)cc1 ZINC000670160946 1071192573 /nfs/dbraw/zinc/19/25/73/1071192573.db2.gz YTURYXWMCXMMLD-UHFFFAOYSA-N 0 0 660.943 11.330 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000033407246 1071197514 /nfs/dbraw/zinc/19/75/14/1071197514.db2.gz JHDGWMDJPKASRG-QBFSEMIESA-N 0 0 500.551 5.478 50 30 KKEARN CNc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(NC)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000033481143 1071198374 /nfs/dbraw/zinc/19/83/74/1071198374.db2.gz XOXCCZMMPCFOAD-YFBGDSSHSA-N 0 0 513.554 5.138 50 30 KKEARN Clc1ccc(N=c2scc(-c3ccc(Br)s3)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000263626464 1071206602 /nfs/dbraw/zinc/20/66/02/1071206602.db2.gz VOINIRCFADCAKN-UHFFFAOYSA-N 0 0 550.934 8.476 50 30 KKEARN COc1cc(C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000033502824 1071207717 /nfs/dbraw/zinc/20/77/17/1071207717.db2.gz OWARJNCZPZARTB-RAXLEYEMSA-N 0 0 504.411 5.708 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(NCc2cccc(-c3nc(C)cs3)c2)C[C@H]1C ZINC000604405993 1071273316 /nfs/dbraw/zinc/27/33/16/1071273316.db2.gz WLPGKOHWVUMSQF-ASHKIFAZSA-N 0 0 525.026 5.386 50 30 KKEARN CC[C@@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000822645992 1071280468 /nfs/dbraw/zinc/28/04/68/1071280468.db2.gz NJGLYXNVJFEDQT-SQXPJUSVSA-N 0 0 818.320 5.319 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000822845074 1071281493 /nfs/dbraw/zinc/28/14/93/1071281493.db2.gz DQSHIXGVPHRSTJ-PUCSCJDFSA-N 0 0 664.155 6.732 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2ccc(N(C)C)cc2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595838 1071282874 /nfs/dbraw/zinc/28/28/74/1071282874.db2.gz DUFXLLPMYIUKGZ-MSEZWBSHSA-N 0 0 665.139 5.363 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H]2CCc3ccccc3NC2=O)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595843 1071283022 /nfs/dbraw/zinc/28/30/22/1071283022.db2.gz FGCBNZKJFHEUPN-NNWAKIBJSA-N 0 0 691.133 5.050 50 30 KKEARN COc1ccc(CCOc2ccc([C@@H]3c4c(=O)[nH]c(=O)n(C)c4NC4=C3C(=O)[C@@]3(Oc5c(c(OC)cc(OC)c5Cl)C3=O)[C@H](C)C4)cc2OC)cc1 ZINC000824668714 1071284341 /nfs/dbraw/zinc/28/43/41/1071284341.db2.gz AVZVCTAFBUBEAH-VEBGFBIISA-N 0 0 730.170 5.230 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)c1nc2ccccc2[nH]1 ZINC000824596489 1071284474 /nfs/dbraw/zinc/28/44/74/1071284474.db2.gz XZDGXAZPYVFKDM-RLTMCFCASA-N 0 0 718.203 6.760 50 30 KKEARN COc1ccc(CCNC(=O)C[C@H](c2ccc(O)c(OC)c2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000824664756 1071284611 /nfs/dbraw/zinc/28/46/11/1071284611.db2.gz LQWQWCKYYVQVHN-MSEZWBSHSA-N 0 0 666.123 5.348 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](CCSC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824905711 1071286727 /nfs/dbraw/zinc/28/67/27/1071286727.db2.gz YTUUQMIKOACBMQ-GYCAJSAWSA-N 0 0 836.360 5.026 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1 ZINC000828928383 1071288247 /nfs/dbraw/zinc/28/82/47/1071288247.db2.gz OQWUQQLPLBVJAD-IVWNNZSSSA-N 0 0 694.769 8.344 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000217696569 1071292154 /nfs/dbraw/zinc/29/21/54/1071292154.db2.gz PWQPUCYSRZKYQY-DVHCVUMVSA-N 0 0 583.584 6.206 50 30 KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OC)c3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)c1OC ZINC000218051576 1071294673 /nfs/dbraw/zinc/29/46/73/1071294673.db2.gz RITLMYZGXMUWKC-LLLIGWKVSA-N 0 0 620.654 6.326 50 30 biogenic KKEARN COc1cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000585086313 1071295268 /nfs/dbraw/zinc/29/52/68/1071295268.db2.gz WEHZSNFXAJJPEZ-XDHOZWIPSA-N 0 0 503.505 6.362 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000102272609 1071303116 /nfs/dbraw/zinc/30/31/16/1071303116.db2.gz XIDZIXNIYTWSEL-PKAZHMFMSA-N 0 0 503.664 7.036 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1cccc(C)c1C ZINC000226376183 1071312672 /nfs/dbraw/zinc/31/26/72/1071312672.db2.gz HKRBWQFLFNXGLI-JVAKDFLDSA-N 0 0 536.716 7.928 50 30 KKEARN CCN(CC)c1ccc(C=NN=CC2=C(N3CCOCC3)/C(=C\c3ccc(N(CC)CC)cc3)CC2)cc1 ZINC000886012264 1071314746 /nfs/dbraw/zinc/31/47/46/1071314746.db2.gz JGFCUFCMSKYPFD-NMQUGRSRSA-N 0 0 513.730 6.247 50 30 KKEARN CC(=Nn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(O)cc1 ZINC000885968812 1071314798 /nfs/dbraw/zinc/31/47/98/1071314798.db2.gz WZADKGXPZQLYNA-UHFFFAOYSA-N 0 0 530.053 5.878 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C=NN=CC1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886012553 1071315442 /nfs/dbraw/zinc/31/54/42/1071315442.db2.gz JQLPIBYPOPWFAD-DTMJQUFYSA-N 0 0 511.626 5.726 50 30 KKEARN COc1cccc(N=c2scc(-c3cccc(Br)c3)n2N=C/C=C/c2ccccc2OC)c1 ZINC000886017723 1071316051 /nfs/dbraw/zinc/31/60/51/1071316051.db2.gz PCJPPNGNCXGRNL-HLIJYLDNSA-N 0 0 520.452 6.776 50 30 KKEARN COc1ccc(C=C2C(=O)C(Nc3ccc(Br)cc3)=C[C@@H]2Nc2ccc(Br)cc2)cc1OC ZINC000003211660 1071317915 /nfs/dbraw/zinc/31/79/15/1071317915.db2.gz XHFSNQXTKJUEGY-JFLYLQGUSA-N 0 0 570.281 6.672 50 30 KKEARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccccc1NC=CC(=O)C(F)(F)F ZINC000103104847 1071335972 /nfs/dbraw/zinc/33/59/72/1071335972.db2.gz HUCFTRFSVXQONC-KTKRTIGZSA-N 0 0 552.552 5.506 50 30 KKEARN Cc1cccc(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000103104633 1071336045 /nfs/dbraw/zinc/33/60/45/1071336045.db2.gz OKDFFBQWIPAMKR-USHMODERSA-N 0 0 587.771 5.466 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103136890 1071337557 /nfs/dbraw/zinc/33/75/57/1071337557.db2.gz UKERYAFCRIQAKC-MFKUBSTISA-N 0 0 556.562 6.802 50 30 KKEARN O=C(NC1CCCCC1)c1c(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)sc2c1CCCC2 ZINC000106603412 1071339354 /nfs/dbraw/zinc/33/93/54/1071339354.db2.gz DBPOIDXDVMTGGE-KEIPNQJHSA-N 0 0 522.714 8.172 50 30 KKEARN S=c1nc(-c2cccs2)n(Cc2ccccc2)c(=S)n1/C(=N\Cc1ccccc1)c1cccs1 ZINC000012564780 1072822730 /nfs/dbraw/zinc/82/27/30/1072822730.db2.gz UIOIKWJIDIBOMA-VYIQYICTSA-N 0 0 516.742 7.477 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3cncn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945384 1072827232 /nfs/dbraw/zinc/82/72/32/1072827232.db2.gz JBBUHUBEHGKLDH-RJCDTCFGSA-N 0 0 537.789 7.281 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945448 1072827875 /nfs/dbraw/zinc/82/78/75/1072827875.db2.gz QQLGJMTXLOWSML-KTQFYHDFSA-N 0 0 578.838 8.375 50 30 KKEARN O=C1N/C(=N\N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000245264205 1072830236 /nfs/dbraw/zinc/83/02/36/1072830236.db2.gz CAQZOCNXAAMYKV-NDEPHWFRSA-N 0 0 582.701 7.776 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097969720 1072836911 /nfs/dbraw/zinc/83/69/11/1072836911.db2.gz VMNCWBIHMALKFE-MGBGTMOVSA-N 0 0 577.806 9.072 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097999820 1072842191 /nfs/dbraw/zinc/84/21/91/1072842191.db2.gz IPKYEGBPJCQQCX-MUVVOIGYSA-N 0 0 610.795 8.491 50 30 KKEARN O=[N+]([O-])c1cccc(/C=C2/CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4cccc([N+](=O)[O-])c4)CC3)=C2N2CCOCC2)c1 ZINC000254289424 1072843210 /nfs/dbraw/zinc/84/32/10/1072843210.db2.gz KWCVZOBZSHUIBN-DYDJTVMOSA-N 0 0 624.698 5.787 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[N+](=O)[O-])c2C)cc1 ZINC000254288389 1072843260 /nfs/dbraw/zinc/84/32/60/1072843260.db2.gz FJHGHTXFSCVXQB-UHFFFAOYSA-N 0 0 589.674 6.043 50 30 KKEARN CC(=O)c1ccc(N=C2SCCCN2C(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)cc1 ZINC000254297303 1072845214 /nfs/dbraw/zinc/84/52/14/1072845214.db2.gz NOLFAFQIQLTOSG-UHFFFAOYSA-N 0 0 537.751 6.477 50 30 KKEARN COc1ccc(-c2csc(=Nc3ccc(C(C)C)cc3)n2N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000254307823 1072846542 /nfs/dbraw/zinc/84/65/42/1072846542.db2.gz IHVBLIWRQJOAJP-UHFFFAOYSA-N 0 0 538.629 7.631 50 30 KKEARN Cc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000254372597 1072849588 /nfs/dbraw/zinc/84/95/88/1072849588.db2.gz RWHGAEYSBWIRPH-UHFFFAOYSA-N 0 0 537.567 6.049 50 30 KKEARN Cc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C ZINC000254392908 1072851843 /nfs/dbraw/zinc/85/18/43/1072851843.db2.gz JHPLLJAXCLSUTK-UHFFFAOYSA-N 0 0 531.638 6.174 50 30 KKEARN O=S(=O)(c1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2N=Cc2ccc(OC(F)F)cc2)cc1)N1CCOCC1 ZINC000254440735 1072855334 /nfs/dbraw/zinc/85/53/34/1072855334.db2.gz HABXCIVYKIDQQI-UHFFFAOYSA-N 0 0 646.741 6.621 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254443082 1072855648 /nfs/dbraw/zinc/85/56/48/1072855648.db2.gz KXBMYELWRMUDSU-UVXWLGBZSA-N 0 0 605.827 6.817 50 30 KKEARN COCCN=c1scc(-c2ccc(OC)cc2)n1N=Cc1ccc(OS(=O)(=O)c2cc(C)ccc2C)c(OC)c1 ZINC000254515235 1072861841 /nfs/dbraw/zinc/86/18/41/1072861841.db2.gz XQNMPELHOSZSSK-UHFFFAOYSA-N 0 0 581.716 5.048 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccccc2)c1[C@H](c1c(C)nn(-c2ccccc2)c1N[C@H](O)c1ccccc1)c1ccccc1 ZINC000254516515 1072861911 /nfs/dbraw/zinc/86/19/11/1072861911.db2.gz GKFYHMLLUOZENR-XQUWYEIYSA-N 0 0 628.780 8.709 50 30 KKEARN O=C(CON=Cc1cc(Br)ccc1O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000254550487 1072863201 /nfs/dbraw/zinc/86/32/01/1072863201.db2.gz QNDSRYMTYBBPJY-NDEPHWFRSA-N 0 0 561.451 6.657 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC000254573733 1072864685 /nfs/dbraw/zinc/86/46/85/1072864685.db2.gz WGLTUCRFOKEEAQ-UHFFFAOYSA-N 0 0 622.644 6.853 50 30 KKEARN COc1ccccc1C=Nn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000254595387 1072866232 /nfs/dbraw/zinc/86/62/32/1072866232.db2.gz ZPFSMGSWVRMTJB-SVBPBHIXSA-N 0 0 541.658 5.189 50 30 KKEARN CC(N=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000254596382 1072866849 /nfs/dbraw/zinc/86/68/49/1072866849.db2.gz VFLIZSZNDATBDG-UHFFFAOYSA-N 0 0 531.619 6.440 50 30 KKEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1oc2ccccc2c1CSCc1ccccc1 ZINC000254700795 1072870248 /nfs/dbraw/zinc/87/02/48/1072870248.db2.gz BZCVWTXTVQSESE-UHFFFAOYSA-N 0 0 514.716 8.256 50 30 KKEARN COc1cc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2N=C2CCCC2)cc(OC)c1OC ZINC000254704663 1072871753 /nfs/dbraw/zinc/87/17/53/1072871753.db2.gz OREJWCRDTOLFNS-UHFFFAOYSA-N 0 0 533.654 5.051 50 30 KKEARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCCSC3=Nc3ccccc3)c12 ZINC000254712240 1072872415 /nfs/dbraw/zinc/87/24/15/1072872415.db2.gz CUNYRZDBPRYTRI-UHFFFAOYSA-N 0 0 503.631 6.663 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(=O)N2[C@H](C)c2ccccc2)cc1 ZINC000254734206 1072873180 /nfs/dbraw/zinc/87/31/80/1072873180.db2.gz FGGPUSWGFTULRS-SOYIPRECSA-N 0 0 586.717 7.922 50 30 KKEARN COC(=O)c1ccc(COc2ccccc2CN=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000254752998 1072876533 /nfs/dbraw/zinc/87/65/33/1072876533.db2.gz DEJPBRIEWPVUCG-UHFFFAOYSA-N 0 0 518.404 5.333 50 30 KKEARN CCN(CC)S(=O)(=O)c1cc(N=Cc2ccc(C=Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)cc2)ccc1C ZINC000254823044 1072881630 /nfs/dbraw/zinc/88/16/30/1072881630.db2.gz JKUSMPVYTUCIHR-UHFFFAOYSA-N 0 0 582.792 5.866 50 30 KKEARN Cc1ccc(C(=O)N=C2c3ccccc3CN2c2ccc(S(=O)(=O)c3ccc(N4Cc5ccccc5C4=NC(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000254843560 1072884122 /nfs/dbraw/zinc/88/41/22/1072884122.db2.gz 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CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000000665635 551517009 /nfs/dbraw/zinc/51/70/09/551517009.db2.gz KCZDFQGTKHXLIT-UHFFFAOYSA-N 0 0 591.546 6.782 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000000665759 551517139 /nfs/dbraw/zinc/51/71/39/551517139.db2.gz BYBVEBPRCHVWHP-UHFFFAOYSA-N 0 0 579.491 5.909 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)C2=C1CCCC2=O ZINC000000665832 551517451 /nfs/dbraw/zinc/51/74/51/551517451.db2.gz LUAAYMUDWORKGZ-UHFFFAOYSA-N 0 0 519.041 6.099 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665790 551517482 /nfs/dbraw/zinc/51/74/82/551517482.db2.gz VTHKCGKKHKKUBL-UHFFFAOYSA-N 0 0 555.458 6.029 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000000666946 551517945 /nfs/dbraw/zinc/51/79/45/551517945.db2.gz OFLICNMJLQEELX-NSYGIPOTSA-N 0 0 574.899 6.378 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 ZINC000000668862 551518498 /nfs/dbraw/zinc/51/84/98/551518498.db2.gz WSCJHHWDWBASHR-MUUNZHRXSA-N 0 0 527.596 5.723 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000000678742 551522685 /nfs/dbraw/zinc/52/26/85/551522685.db2.gz KOZMYXWYYAGKJH-PIIWDFAUSA-N 0 0 505.611 5.416 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678762 551522716 /nfs/dbraw/zinc/52/27/16/551522716.db2.gz GISNPUPTIGBRPU-WRONEBCDSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(Br)c2)cc1OC ZINC000000678861 551522746 /nfs/dbraw/zinc/52/27/46/551522746.db2.gz JUORSNZWLMWSCP-AFMDSPMNSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2Cl)cc1OC ZINC000000679161 551523230 /nfs/dbraw/zinc/52/32/30/551523230.db2.gz SFIRFJDFDLLAFA-GDJIYFAZSA-N 0 0 522.041 6.205 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC000000681832 551524735 /nfs/dbraw/zinc/52/47/35/551524735.db2.gz BRHZQUUPHVDNJY-GKVSMKOHSA-N 0 0 541.913 6.711 50 30 KKEARN O=C(COc1ccc(Br)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Nc1ccccc1 ZINC000000684741 551525379 /nfs/dbraw/zinc/52/53/79/551525379.db2.gz GGOPZFNHRPYQRS-UHFFFAOYSA-N 0 0 522.395 5.595 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000000688473 551526472 /nfs/dbraw/zinc/52/64/72/551526472.db2.gz ATYGMMWVHMLBQD-SSEXGKCCSA-N 0 0 537.660 6.220 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000688395 551526491 /nfs/dbraw/zinc/52/64/91/551526491.db2.gz NFOHHVFYENVQRU-QHCPKHFHSA-N 0 0 503.624 5.556 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4ccco4)cc3C(F)(F)F)c1Br)CCCC2 ZINC000000707201 551531695 /nfs/dbraw/zinc/53/16/95/551531695.db2.gz HAETZYHCPLXLQS-UHFFFAOYSA-N 0 0 536.333 5.835 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000000708217 551532166 /nfs/dbraw/zinc/53/21/66/551532166.db2.gz CRTNIQBRWJZGGE-IQGLISFBSA-N 0 0 500.422 6.315 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000000708219 551532354 /nfs/dbraw/zinc/53/23/54/551532354.db2.gz CRTNIQBRWJZGGE-AVRWGWEMSA-N 0 0 500.422 6.315 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1OC ZINC000000710629 551533063 /nfs/dbraw/zinc/53/30/63/551533063.db2.gz FSFGCZHCPLVEAS-QUGAMOGWSA-N 0 0 505.412 6.446 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1OC ZINC000000710632 551533099 /nfs/dbraw/zinc/53/30/99/551533099.db2.gz FSFGCZHCPLVEAS-MRDQGFSESA-N 0 0 505.412 6.446 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(I)sc1SC ZINC000000712405 551533396 /nfs/dbraw/zinc/53/33/96/551533396.db2.gz LLSSBVQWKQMLQJ-INIZCTEOSA-N 0 0 517.454 5.242 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)cc1OC ZINC000000714064 551533837 /nfs/dbraw/zinc/53/38/37/551533837.db2.gz RGNFNRJKRDZZOY-RWPZCVJISA-N 0 0 507.637 5.221 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cs1 ZINC000000713946 551533896 /nfs/dbraw/zinc/53/38/96/551533896.db2.gz SPLGWACRTRRFJC-FQEVSTJZSA-N 0 0 546.443 5.399 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000716695 551534661 /nfs/dbraw/zinc/53/46/61/551534661.db2.gz KWQOLQPLGWSUDU-WENCNXQZSA-N 0 0 514.578 5.617 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(=O)C3[C@@H]2c2cccnc2)cc(OC)c1OC ZINC000000718116 551535009 /nfs/dbraw/zinc/53/50/09/551535009.db2.gz PCEKRTASLDKZSE-RBBQXQBVSA-N 0 0 575.665 6.630 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2ccccc2Cl)cc1 ZINC000000718149 551535236 /nfs/dbraw/zinc/53/52/36/551535236.db2.gz VQMQBZHHGLPEHF-ROTAYESASA-N 0 0 515.053 7.295 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cccnc3)C2)cc1 ZINC000000718153 551535243 /nfs/dbraw/zinc/53/52/43/551535243.db2.gz MGPZATPNNPHAPT-FLASPHMUSA-N 0 0 591.664 6.330 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000000719239 551535721 /nfs/dbraw/zinc/53/57/21/551535721.db2.gz HDKHDEPVLFBTBT-QHCPKHFHSA-N 0 0 508.368 5.558 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000000719240 551535735 /nfs/dbraw/zinc/53/57/35/551535735.db2.gz HDKHDEPVLFBTBT-HSZRJFAPSA-N 0 0 508.368 5.558 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc(OC)c1OC ZINC000000719127 551535818 /nfs/dbraw/zinc/53/58/18/551535818.db2.gz NGYLIUDTLREWFV-QZXCRCNTSA-N 0 0 508.977 6.484 50 30 KKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000720031 551536626 /nfs/dbraw/zinc/53/66/26/551536626.db2.gz JZOXXKYQJHQKSF-SLQAJWMNSA-N 0 0 500.595 6.091 50 30 KKEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(C)c(C)c(C)c1C#N ZINC000000728518 551538895 /nfs/dbraw/zinc/53/88/95/551538895.db2.gz JMZQHRGFFCEFPG-UHFFFAOYSA-N 0 0 530.444 5.527 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1OC ZINC000000729530 551539372 /nfs/dbraw/zinc/53/93/72/551539372.db2.gz GWFQPXVRAYVOEK-MQNRADLISA-N 0 0 525.468 6.897 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000000729502 551539461 /nfs/dbraw/zinc/53/94/61/551539461.db2.gz HYGLBOITTUWDHO-HPGBDJQBSA-N 0 0 521.013 6.441 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000000730384 551539688 /nfs/dbraw/zinc/53/96/88/551539688.db2.gz IDMQLKSQZOHMBW-QFIPXVFZSA-N 0 0 520.607 5.291 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000000797886 551543216 /nfs/dbraw/zinc/54/32/16/551543216.db2.gz YAUICSYDROBYOS-OAQYLSRUSA-N 0 0 521.323 5.359 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000000858166 551550670 /nfs/dbraw/zinc/55/06/70/551550670.db2.gz UFXNAOYKNHJWPJ-DEOSSOPVSA-N 0 0 522.395 5.287 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000000858167 551550786 /nfs/dbraw/zinc/55/07/86/551550786.db2.gz UFXNAOYKNHJWPJ-XMMPIXPASA-N 0 0 522.395 5.287 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000861022 551551013 /nfs/dbraw/zinc/55/10/13/551551013.db2.gz CBXHLXREQCKALK-SIBVEZHUSA-N 0 0 510.030 5.918 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861262 551551022 /nfs/dbraw/zinc/55/10/22/551551022.db2.gz LJODMNJPEYYMHO-QRRWFCJLSA-N 0 0 595.692 6.167 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000861039 551551034 /nfs/dbraw/zinc/55/10/34/551551034.db2.gz XONPCGYGGUGLMB-WTYVLRPYSA-N 0 0 501.579 5.271 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000861021 551551046 /nfs/dbraw/zinc/55/10/46/551551046.db2.gz CBXHLXREQCKALK-AFMDSPMNSA-N 0 0 510.030 5.918 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000861354 551551269 /nfs/dbraw/zinc/55/12/69/551551269.db2.gz OKKSRFULAWPCKJ-ONOMSOESSA-N 0 0 550.051 6.121 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000861313 551551337 /nfs/dbraw/zinc/55/13/37/551551337.db2.gz KHQUNXVLPVWIQM-SMSORMJASA-N 0 0 574.073 6.210 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000863487 551552027 /nfs/dbraw/zinc/55/20/27/551552027.db2.gz NNCIYBVLMPEWSO-MYYSRTQBSA-N 0 0 502.394 5.545 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000867320 551553394 /nfs/dbraw/zinc/55/33/94/551553394.db2.gz LLSZIEVIUOSCSF-QNLPTKCRSA-N 0 0 509.650 6.462 50 30 KKEARN O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Br)cc2c1OCOC2 ZINC000000940987 551587800 /nfs/dbraw/zinc/58/78/00/551587800.db2.gz IBXMMFUMFDZWCY-ZEQRLZLVSA-N 0 0 501.760 5.871 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccc(OC)cc1 ZINC000000949845 551588865 /nfs/dbraw/zinc/58/88/65/551588865.db2.gz LPJMSCIPPIEHIF-UHFFFAOYSA-N 0 0 512.060 5.571 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccncc1 ZINC000000949870 551588878 /nfs/dbraw/zinc/58/88/78/551588878.db2.gz NGFROGWWGUXEAV-UHFFFAOYSA-N 0 0 517.467 5.611 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000000949863 551588905 /nfs/dbraw/zinc/58/89/05/551588905.db2.gz MJMDGIOGLMUGDN-UHFFFAOYSA-N 0 0 510.088 5.795 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000958608 551589761 /nfs/dbraw/zinc/58/97/61/551589761.db2.gz FLCQKZJZVKSDED-OAQYLSRUSA-N 0 0 508.043 5.925 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000959774 551589973 /nfs/dbraw/zinc/58/99/73/551589973.db2.gz MGSFISYFCRDIFL-FQEVSTJZSA-N 0 0 506.559 5.722 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000959809 551589979 /nfs/dbraw/zinc/58/99/79/551589979.db2.gz HSNMIEKELVUMSR-OAQYLSRUSA-N 0 0 522.026 5.645 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000959807 551590063 /nfs/dbraw/zinc/59/00/63/551590063.db2.gz BJJWHSLYBRLZQS-OAQYLSRUSA-N 0 0 505.571 5.131 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000000987411 551593140 /nfs/dbraw/zinc/59/31/40/551593140.db2.gz GZOLNJSFKONOFL-UHFFFAOYSA-N 0 0 534.052 6.758 50 30 KKEARN N#Cc1cccc(Oc2cccc(C(=O)OCC(=O)c3ccc(OC(=O)c4ccccc4)cc3)c2)c1C#N ZINC000000992821 551594147 /nfs/dbraw/zinc/59/41/47/551594147.db2.gz AYWGHCZDSILWEX-UHFFFAOYSA-N 0 0 502.482 5.481 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC(=O)c2c(F)cccc2F)cc1 ZINC000001061119 551600870 /nfs/dbraw/zinc/60/08/70/551600870.db2.gz HVDVQMNLPRSNKY-UHFFFAOYSA-N 0 0 506.545 6.584 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000001070645 551602943 /nfs/dbraw/zinc/60/29/43/551602943.db2.gz WCEKOHGEXIYCLY-XRHLQHRESA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001074817 551603885 /nfs/dbraw/zinc/60/38/85/551603885.db2.gz NOHXMHOSCKNPCA-NFQMXDRXSA-N 0 0 520.050 6.515 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000001075076 551604077 /nfs/dbraw/zinc/60/40/77/551604077.db2.gz KNOBFZGFXJONAZ-WGDIFIGCSA-N 0 0 555.469 5.067 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000001077238 551604482 /nfs/dbraw/zinc/60/44/82/551604482.db2.gz MAPFDGRYQSIJTR-JWIGPWBQSA-N 0 0 525.432 6.999 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000001077234 551604522 /nfs/dbraw/zinc/60/45/22/551604522.db2.gz MAPFDGRYQSIJTR-CHAGWJKLSA-N 0 0 525.432 6.999 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000001077510 551604898 /nfs/dbraw/zinc/60/48/98/551604898.db2.gz DUQYBKAYKUKUEF-XBBWARJSSA-N 0 0 500.595 6.091 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001082061 551605821 /nfs/dbraw/zinc/60/58/21/551605821.db2.gz OLDNWIDHYRLCSP-IPBJYNAHSA-N 0 0 569.654 5.826 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000001082035 551605940 /nfs/dbraw/zinc/60/59/40/551605940.db2.gz IPVJOMVZTVREBL-IPBJYNAHSA-N 0 0 558.074 6.505 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000001084385 551606212 /nfs/dbraw/zinc/60/62/12/551606212.db2.gz VGISXZFRXPYDRQ-SANMLTNESA-N 0 0 505.412 6.872 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2cnc3ccccc3n2)c1 ZINC000001088155 551606655 /nfs/dbraw/zinc/60/66/55/551606655.db2.gz GTKUNYWYUIXHJZ-URAOTHONSA-N 0 0 501.590 5.334 50 30 KKEARN Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000001098361 551608167 /nfs/dbraw/zinc/60/81/67/551608167.db2.gz GFHGADNLASHWSU-UHFFFAOYSA-N 0 0 530.049 6.362 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001100842 551608618 /nfs/dbraw/zinc/60/86/18/551608618.db2.gz UHGSCYWOWBGDSI-UHFFFAOYSA-N 0 0 505.621 5.121 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1OC ZINC000001102592 551608922 /nfs/dbraw/zinc/60/89/22/551608922.db2.gz FUMAORQPDZWLRH-CRICUBBOSA-N 0 0 523.651 5.621 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000001111138 551611328 /nfs/dbraw/zinc/61/13/28/551611328.db2.gz 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6.725 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000001168232 551620152 /nfs/dbraw/zinc/62/01/52/551620152.db2.gz VTPVYIFYCAVANL-PIIWDFAUSA-N 0 0 501.424 6.760 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Br)c2)cc1OC ZINC000001177509 551620692 /nfs/dbraw/zinc/62/06/92/551620692.db2.gz FZNDIGWTTRIPRM-MYUZEXMDSA-N 0 0 505.412 6.446 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000001202538 551623863 /nfs/dbraw/zinc/62/38/63/551623863.db2.gz LIHYXEHTTMJYSB-JHOBJCJYSA-N 0 0 544.047 6.202 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001204601 551624122 /nfs/dbraw/zinc/62/41/22/551624122.db2.gz FFFCOIFKBQTWQU-BTYSJIOQSA-N 0 0 524.573 5.708 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001204605 551624145 /nfs/dbraw/zinc/62/41/45/551624145.db2.gz FFFCOIFKBQTWQU-MUAVYFROSA-N 0 0 524.573 5.708 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2Br)cc1 ZINC000001214080 551626069 /nfs/dbraw/zinc/62/60/69/551626069.db2.gz MQDPYUWEEIHMHF-YMGMXPECSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000001240892 551630666 /nfs/dbraw/zinc/63/06/66/551630666.db2.gz OQGRSKGSCWEJTF-UHFFFAOYSA-N 0 0 543.048 6.574 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000001246293 551631629 /nfs/dbraw/zinc/63/16/29/551631629.db2.gz RODHTOQVGHOHOG-QUGAMOGWSA-N 0 0 526.942 6.812 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001254331 551633023 /nfs/dbraw/zinc/63/30/23/551633023.db2.gz SNIVXFOXVVZNJO-PPHZAIPVSA-N 0 0 523.555 6.589 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3cccc(Br)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000001257677 551633229 /nfs/dbraw/zinc/63/32/29/551633229.db2.gz ISKHHOQNLQZLOT-KMRXNPHXSA-N 0 0 501.424 6.678 50 30 KKEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001274911 551635450 /nfs/dbraw/zinc/63/54/50/551635450.db2.gz MSQFKNSZCAAFMZ-NRFANRHFSA-N 0 0 582.037 6.644 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000001413288 551665127 /nfs/dbraw/zinc/66/51/27/551665127.db2.gz ZMBJFHAQKDKPMV-XMMPIXPASA-N 0 0 540.385 5.426 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000001413423 551665470 /nfs/dbraw/zinc/66/54/70/551665470.db2.gz ZLCVCPRISXQIFR-XMMPIXPASA-N 0 0 519.370 5.891 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000001413418 551665483 /nfs/dbraw/zinc/66/54/83/551665483.db2.gz WURXXEVVXITJLP-DEOSSOPVSA-N 0 0 519.370 5.891 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413483 551665795 /nfs/dbraw/zinc/66/57/95/551665795.db2.gz 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/nfs/dbraw/zinc/66/99/01/551669901.db2.gz NALXZANIOIADGW-FQEVSTJZSA-N 0 0 504.652 6.070 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001431208 551670005 /nfs/dbraw/zinc/67/00/05/551670005.db2.gz ZFCZCTGBUSFSJC-FQRUVTKNSA-N 0 0 500.576 5.761 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000001431249 551670260 /nfs/dbraw/zinc/67/02/60/551670260.db2.gz PWTDAXFHAJKGCW-WTYVLRPYSA-N 0 0 515.631 5.870 50 30 KKEARN COc1cc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000001432333 551670526 /nfs/dbraw/zinc/67/05/26/551670526.db2.gz PILHMTDKIAFBJY-HSZRJFAPSA-N 0 0 538.669 6.614 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001434665 551670617 /nfs/dbraw/zinc/67/06/17/551670617.db2.gz QLUSKFSCSKSWFG-CCLHPLFOSA-N 0 0 530.602 5.770 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438343 551671634 /nfs/dbraw/zinc/67/16/34/551671634.db2.gz PMXDFEFXEUTZCB-FPTDNZKUSA-N 0 0 504.421 5.963 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001438148 551671706 /nfs/dbraw/zinc/67/17/06/551671706.db2.gz YXPNQFSFFHALMC-CRYYWNKWSA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1OC ZINC000001438099 551671710 /nfs/dbraw/zinc/67/17/10/551671710.db2.gz XOJNHXHZFIUWSJ-KWMCUTETSA-N 0 0 549.465 6.845 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001438581 551671954 /nfs/dbraw/zinc/67/19/54/551671954.db2.gz VJKUFSVISAQTRV-HRFSGMKKSA-N 0 0 530.602 5.770 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001438614 551672303 /nfs/dbraw/zinc/67/23/03/551672303.db2.gz PMNVPRVFYBOFPZ-URAOTHONSA-N 0 0 567.663 6.277 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000001438828 551672307 /nfs/dbraw/zinc/67/23/07/551672307.db2.gz XPNNBINOIFWQSZ-WHLCRQNOSA-N 0 0 547.648 5.568 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000001438608 551672310 /nfs/dbraw/zinc/67/23/10/551672310.db2.gz ZQUATWQPGUUNKP-LYZGTLIUSA-N 0 0 529.658 5.913 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000001438830 551672320 /nfs/dbraw/zinc/67/23/20/551672320.db2.gz XPNNBINOIFWQSZ-HMILPKGGSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001438613 551672347 /nfs/dbraw/zinc/67/23/47/551672347.db2.gz PMNVPRVFYBOFPZ-DFXYEROKSA-N 0 0 567.663 6.277 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(F)c(Br)c1 ZINC000001438846 551672378 /nfs/dbraw/zinc/67/23/78/551672378.db2.gz TUYJBCITLACRKX-SSOJOUAXSA-N 0 0 528.418 5.910 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccccc1F)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445792 551674004 /nfs/dbraw/zinc/67/40/04/551674004.db2.gz BNSMKGKOCGNNSQ-INIZCTEOSA-N 0 0 500.020 6.151 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445844 551674064 /nfs/dbraw/zinc/67/40/64/551674064.db2.gz KTTUXHBOXPHYCW-QGZVFWFLSA-N 0 0 500.020 6.151 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445840 551674070 /nfs/dbraw/zinc/67/40/70/551674070.db2.gz AEUYFQRYTJMXIZ-MRXNPFEDSA-N 0 0 516.475 6.665 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445847 551674079 /nfs/dbraw/zinc/67/40/79/551674079.db2.gz AVZLCFAMJFUZIO-SFHVURJKSA-N 0 0 533.572 6.516 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001450341 551675181 /nfs/dbraw/zinc/67/51/81/551675181.db2.gz NGTLVAREBNSXTK-AREMUKBSSA-N 0 0 574.655 6.066 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001450353 551675276 /nfs/dbraw/zinc/67/52/76/551675276.db2.gz QWXSRWHHAJMJSY-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450550 551675629 /nfs/dbraw/zinc/67/56/29/551675629.db2.gz OVEAHTVZWIYANL-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3OC)sc2c1 ZINC000001451985 551676395 /nfs/dbraw/zinc/67/63/95/551676395.db2.gz JCCUGDCWQJOWOU-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001456275 551676743 /nfs/dbraw/zinc/67/67/43/551676743.db2.gz ZJKFKMZZGFQGFV-QUGAMOGWSA-N 0 0 523.651 5.621 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001458962 551677649 /nfs/dbraw/zinc/67/76/49/551677649.db2.gz QEMRRNBETSHQPM-GZGVDWRWSA-N 0 0 560.650 6.927 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc1 ZINC000001460761 551678238 /nfs/dbraw/zinc/67/82/38/551678238.db2.gz RTWSSBPXJZQQMD-IIMAJNMQSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2OC)cc1 ZINC000001460778 551678537 /nfs/dbraw/zinc/67/85/37/551678537.db2.gz ZIUVRWMKOWTJNN-UKPGIYTDSA-N 0 0 554.643 5.721 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460784 551678560 /nfs/dbraw/zinc/67/85/60/551678560.db2.gz UAZVHYCTMQAWEM-UDNBHOFDSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001460833 551678705 /nfs/dbraw/zinc/67/87/05/551678705.db2.gz VZRGJHAZDMUFRF-HPMVVLTCSA-N 0 0 566.698 6.836 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(OC)c2)cc1 ZINC000001460972 551678768 /nfs/dbraw/zinc/67/87/68/551678768.db2.gz GDKQKOOTDWDHKY-UVDDSOTQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(O)cc2)cc1 ZINC000001460968 551678782 /nfs/dbraw/zinc/67/87/82/551678782.db2.gz UCRJHGJVSPHDON-DFXYEROKSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2OC)cc1OC ZINC000001461003 551679048 /nfs/dbraw/zinc/67/90/48/551679048.db2.gz XSHCCMIQKRHGPY-UGDMGKLASA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460998 551679051 /nfs/dbraw/zinc/67/90/51/551679051.db2.gz GPYWOILXFVYHOE-JPZYQRIQSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000001461034 551679195 /nfs/dbraw/zinc/67/91/95/551679195.db2.gz DFMSLPVAIIUQKG-ROTAYESASA-N 0 0 554.643 5.721 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461073 551679213 /nfs/dbraw/zinc/67/92/13/551679213.db2.gz YUECDQJVSAGNMJ-JPQMRUPTSA-N 0 0 568.670 6.117 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479893 551681160 /nfs/dbraw/zinc/68/11/60/551681160.db2.gz OSQZCSPSGZANNQ-DEOSSOPVSA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479910 551681222 /nfs/dbraw/zinc/68/12/22/551681222.db2.gz QWOAAVLAMDNHIC-XMMPIXPASA-N 0 0 546.601 5.504 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482276 551682722 /nfs/dbraw/zinc/68/27/22/551682722.db2.gz GHZMFQUZEWEPBD-RUZDIDTESA-N 0 0 530.602 5.804 50 30 KKEARN N#Cc1ccsc1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000001772354 551696755 /nfs/dbraw/zinc/69/67/55/551696755.db2.gz ZELJJMUHQGJOMB-UHFFFAOYSA-N 0 0 500.630 5.778 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2ccc(OC)cc2)S/C1=N\N=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000001776736 551697735 /nfs/dbraw/zinc/69/77/35/551697735.db2.gz YHWBJFDMALHJIG-UKAZCEGMSA-N 0 0 524.440 5.780 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CC1S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000001793166 551702216 /nfs/dbraw/zinc/70/22/16/551702216.db2.gz ANHLWNDKAQKCPB-IOLSIOFCSA-N 0 0 533.675 5.969 50 30 KKEARN CC(C)(C)[C@H]1CCc2nc(SCC(=O)c3ccc(Br)cc3)c(C#N)c(-c3cccs3)c2C1 ZINC000001802136 551703776 /nfs/dbraw/zinc/70/37/76/551703776.db2.gz VAMFFXIUZRYRGA-KRWDZBQOSA-N 0 0 525.537 7.570 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001804645 551704371 /nfs/dbraw/zinc/70/43/71/551704371.db2.gz GDCSCDVKHVBISX-UHFFFAOYSA-N 0 0 562.548 6.325 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000001815140 551707374 /nfs/dbraw/zinc/70/73/74/551707374.db2.gz GGBNTAXFTYYXMH-RIHQVDFKSA-N 0 0 560.123 7.654 50 30 KKEARN CC1=C(OS(=O)(=O)c2ccc(Br)cc2)C(C)(C)[C@@H](c2ccc(Br)cc2)OC1=O ZINC000001817979 551708156 /nfs/dbraw/zinc/70/81/56/551708156.db2.gz CBQRJXXXGMXJKN-GOSISDBHSA-N 0 0 530.234 5.515 50 30 KKEARN Cc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1 ZINC000001820660 551708676 /nfs/dbraw/zinc/70/86/76/551708676.db2.gz YYWKSKISMHWPJJ-UHFFFAOYSA-N 0 0 528.033 6.670 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000001820764 551708827 /nfs/dbraw/zinc/70/88/27/551708827.db2.gz OJMVIFLAWHUZLZ-RRAHZORUSA-N 0 0 559.695 6.081 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1O ZINC000001837980 551712837 /nfs/dbraw/zinc/71/28/37/551712837.db2.gz USUHBABAGZKNAV-JFLMPSFJSA-N 0 0 593.341 6.090 50 30 KKEARN C=CCNC(=O)c1c2nc3ccccc3nc2n(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001845327 551714683 /nfs/dbraw/zinc/71/46/83/551714683.db2.gz IGQCEKLDAGSUHW-UHFFFAOYSA-N 0 0 561.385 5.957 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1O ZINC000001860883 551717161 /nfs/dbraw/zinc/71/71/61/551717161.db2.gz DZCAOCFMVBVFFG-VULFUBBASA-N 0 0 563.246 5.232 50 30 KKEARN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OCc1cccc2ccccc21 ZINC000001874103 551720721 /nfs/dbraw/zinc/72/07/21/551720721.db2.gz VVDWIMBLJDOXLT-VWJSQJICSA-N 0 0 574.500 6.722 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000001876438 551722739 /nfs/dbraw/zinc/72/27/39/551722739.db2.gz BHQZZQFDTMLCIX-FJEPWZHXSA-N 0 0 566.473 7.500 50 30 KKEARN COc1ccccc1NC(=O)c1c(C)nc(S[C@H](C(N)=O)c2ccccc2)c(C#N)c1-c1ccc(OC)c(OC)c1 ZINC000001884042 551724846 /nfs/dbraw/zinc/72/48/46/551724846.db2.gz WFCSQPHRLUOHEY-NDEPHWFRSA-N 0 0 568.655 5.526 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1)c1cccc(Br)c1 ZINC000001883650 551724861 /nfs/dbraw/zinc/72/48/61/551724861.db2.gz DFTNMWKASCXKFU-IBBHUPRXSA-N 0 0 566.238 8.534 50 30 KKEARN Cc1ccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5cccc(Br)c5)cc4)ccc3o2)cc1 ZINC000001883661 551724894 /nfs/dbraw/zinc/72/48/94/551724894.db2.gz RAZRUIGTYXXIMT-OCSSWDANSA-N 0 0 511.375 7.536 50 30 KKEARN COc1cc(CN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1 ZINC000001889727 551726288 /nfs/dbraw/zinc/72/62/88/551726288.db2.gz ZJWIAJKTQVBZEY-NDEPHWFRSA-N 0 0 550.618 5.467 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2scc(-c3ccccc3)c2c1=O ZINC000001896015 551727733 /nfs/dbraw/zinc/72/77/33/551727733.db2.gz PSPCRHICWWGFHW-UHFFFAOYSA-N 0 0 532.716 6.244 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)C[C@@H](C(C)C)OC3 ZINC000001902133 551731487 /nfs/dbraw/zinc/73/14/87/551731487.db2.gz WHLMKAUWOHWZMX-NRFANRHFSA-N 0 0 510.729 6.314 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3nccs3)nc(C)c2C(=O)Nc2ccccc2)cc1OC ZINC000001902363 551731519 /nfs/dbraw/zinc/73/15/19/551731519.db2.gz PMEHEJYWOPLWDT-UHFFFAOYSA-N 0 0 545.646 5.386 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccc(Br)cc1 ZINC000001906373 551731880 /nfs/dbraw/zinc/73/18/80/551731880.db2.gz WGQGTXNMUXYHPF-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc4ccccc43)s2)nnc1-c1ccc(Br)cc1 ZINC000001906387 551731903 /nfs/dbraw/zinc/73/19/03/551731903.db2.gz HLDDDWCCXNZXEF-UHFFFAOYSA-N 0 0 576.545 6.825 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1ccc(Br)cc1 ZINC000001906389 551731909 /nfs/dbraw/zinc/73/19/09/551731909.db2.gz GBCNMCWNKRWHST-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccc(OC)cc1 ZINC000001906523 551732326 /nfs/dbraw/zinc/73/23/26/551732326.db2.gz RTHAGHYNRSWBQF-UHFFFAOYSA-N 0 0 546.505 6.225 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3c(Cl)ccc(Cl)c3Cl)n2)cc1 ZINC000001914966 551733286 /nfs/dbraw/zinc/73/32/86/551733286.db2.gz YLGWTZAQXMYWIV-UHFFFAOYSA-N 0 0 511.861 8.548 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001923963 551734481 /nfs/dbraw/zinc/73/44/81/551734481.db2.gz TWZXVEIILMATRE-ZMOGYAJESA-N 0 0 505.210 5.325 50 30 KKEARN Brc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000001952707 551735374 /nfs/dbraw/zinc/73/53/74/551735374.db2.gz DXCWUEVXFDEZIZ-YAGSLNJISA-N 0 0 534.251 8.505 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(/C=C/c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000001954858 551735591 /nfs/dbraw/zinc/73/55/91/551735591.db2.gz MSCIHJPWXACPED-VRTPRIGKSA-N 0 0 518.616 9.076 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cccc(OC)c4)nc3c2)c1O ZINC000001955131 551735748 /nfs/dbraw/zinc/73/57/48/551735748.db2.gz YYXXXIPQRYFBIA-RPPGKUMJSA-N 0 0 546.215 6.883 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000001955124 551735760 /nfs/dbraw/zinc/73/57/60/551735760.db2.gz SRQKMJDNOIQPSZ-RPPGKUMJSA-N 0 0 530.216 7.183 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O ZINC000001955140 551735800 /nfs/dbraw/zinc/73/58/00/551735800.db2.gz AFJFLBUTAWDTKS-IPPBACCNSA-N 0 0 566.249 8.028 50 30 KKEARN COc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(OC)c4)c(F)c3F)c(F)c2F)c1 ZINC000002022821 551736188 /nfs/dbraw/zinc/73/61/88/551736188.db2.gz FFYHJGYKEHQIKP-UHFFFAOYSA-N 0 0 542.378 8.068 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2I)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002057976 551740629 /nfs/dbraw/zinc/74/06/29/551740629.db2.gz BJZDWOVLIDIARE-CCLHPLFOSA-N 0 0 567.467 6.529 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002059500 551741504 /nfs/dbraw/zinc/74/15/04/551741504.db2.gz XWFMKKNCADROJA-MYVCOICNSA-N 0 0 547.695 7.503 50 30 KKEARN CCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1 ZINC000002060728 551742351 /nfs/dbraw/zinc/74/23/51/551742351.db2.gz KPPKJQVKNLJVFH-LIEILUSWSA-N 0 0 572.499 6.717 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1C ZINC000002061411 551742724 /nfs/dbraw/zinc/74/27/24/551742724.db2.gz BPPNNRLMYLTWCM-UHFFFAOYSA-N 0 0 505.687 7.932 50 30 KKEARN Fc1ccc(C#Cc2ccc(-c3nc4ccccc4nc3-c3ccc(C#Cc4ccc(F)cc4)cc3)cc2)cc1 ZINC000002062055 551743161 /nfs/dbraw/zinc/74/31/61/551743161.db2.gz UCKXUJMHQSHDHA-UHFFFAOYSA-N 0 0 518.566 8.042 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002063169 551744144 /nfs/dbraw/zinc/74/41/44/551744144.db2.gz AFFLKLJYCFCCEF-DICHSLLOSA-N 0 0 537.656 6.587 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000002063171 551744161 /nfs/dbraw/zinc/74/41/61/551744161.db2.gz AFFLKLJYCFCCEF-IEWVHIKDSA-N 0 0 537.656 6.587 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063274 551744349 /nfs/dbraw/zinc/74/43/49/551744349.db2.gz HSUCNGJQAHJWEL-OOOSNSGVSA-N 0 0 533.668 7.113 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000002063270 551744392 /nfs/dbraw/zinc/74/43/92/551744392.db2.gz GUMYVKCPABEUPT-YUDQIZAISA-N 0 0 544.047 6.332 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N ZINC000002063733 551744554 /nfs/dbraw/zinc/74/45/54/551744554.db2.gz CPQSTAZMNFMTPX-UHFFFAOYSA-N 0 0 544.076 7.251 50 30 KKEARN CCCCCCCCCC(=O)Oc1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002068272 551746066 /nfs/dbraw/zinc/74/60/66/551746066.db2.gz ZYOJMKBAOYSVBT-UHFFFAOYSA-N 0 0 531.263 8.147 50 30 KKEARN CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C1(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)N2 ZINC000002070628 551746944 /nfs/dbraw/zinc/74/69/44/551746944.db2.gz BFKYQUNOGNBLMT-PMERELPUSA-N 0 0 558.763 9.002 50 30 KKEARN Brc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1 ZINC000002071447 551747384 /nfs/dbraw/zinc/74/73/84/551747384.db2.gz KWPVMIMOKHHYDL-HLJIXCGCSA-N 0 0 529.175 7.278 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002072845 551747890 /nfs/dbraw/zinc/74/78/90/551747890.db2.gz YUTOARRBIOAMEZ-WINIVTDRSA-N 0 0 521.610 5.036 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002074296 551749195 /nfs/dbraw/zinc/74/91/95/551749195.db2.gz YWFAULCEKOGYHB-WTYVLRPYSA-N 0 0 521.610 5.123 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)cc1 ZINC000002074441 551749280 /nfs/dbraw/zinc/74/92/80/551749280.db2.gz QMIVFSGJFHBVGS-NFQMXDRXSA-N 0 0 523.651 5.067 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3c(c(C(F)(F)F)n1)CCc1ccccc1-3)CCCC2 ZINC000002074522 551749525 /nfs/dbraw/zinc/74/95/25/551749525.db2.gz ZFNPLZDIZOCWRM-UHFFFAOYSA-N 0 0 500.571 5.804 50 30 KKEARN Cc1ccc(N2C(=C(c3ccccc3)c3ccccc3)S[C@@]3(c4ccccc4)OC(=O)C(=O)C3=C2c2ccccc2)cc1 ZINC000002077743 551750328 /nfs/dbraw/zinc/75/03/28/551750328.db2.gz RWVQYOBPBVOMHI-KXQOOQHDSA-N 0 0 577.705 8.356 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@@H](C1=O)C1(Br)c4ccccc4C3(Br)c3ccccc31)CCCC2 ZINC000002076749 551750393 /nfs/dbraw/zinc/75/03/93/551750393.db2.gz QNTCQMBXSRRGIZ-CFDLBASYSA-N 0 0 594.328 5.908 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002082405 551752459 /nfs/dbraw/zinc/75/24/59/551752459.db2.gz HPYFYYJDXJYNPM-HKBQPEDESA-N 0 0 537.656 6.492 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000002083446 551752910 /nfs/dbraw/zinc/75/29/10/551752910.db2.gz PRPGRAYPHKMNTL-UHFFFAOYSA-N 0 0 569.705 5.908 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)nc4ccccc43)sc2C1 ZINC000002083847 551753650 /nfs/dbraw/zinc/75/36/50/551753650.db2.gz FRUOMZUYFLNGQN-OAHLLOKOSA-N 0 0 506.458 7.909 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1OCC ZINC000002085811 551755605 /nfs/dbraw/zinc/75/56/05/551755605.db2.gz FADQTHVTIZTFIY-FQEVSTJZSA-N 0 0 501.406 5.490 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2OCCC)cc1 ZINC000002085852 551755723 /nfs/dbraw/zinc/75/57/23/551755723.db2.gz DJBGWVQPSCZYSZ-RUZDIDTESA-N 0 0 536.426 5.714 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002095350 551761218 /nfs/dbraw/zinc/76/12/18/551761218.db2.gz JVCLZBLMSHYVJI-WHQHWOLESA-N 0 0 502.636 6.646 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3CC)N(c3ccccc3CC)C2=O)cc(Br)c1O ZINC000002095670 551761458 /nfs/dbraw/zinc/76/14/58/551761458.db2.gz LVPJLHKLJXXLPH-SDOFRJHVSA-N 0 0 551.506 7.487 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O)CCC3 ZINC000002106611 551764380 /nfs/dbraw/zinc/76/43/80/551764380.db2.gz JNTCYICDBKUBEE-IBGZPJMESA-N 0 0 514.072 5.100 50 30 KKEARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c3ccccc3n2)cc1 ZINC000002108146 551765374 /nfs/dbraw/zinc/76/53/74/551765374.db2.gz YWMILERAGGOXQG-OAQYLSRUSA-N 0 0 523.702 8.025 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108414 551765844 /nfs/dbraw/zinc/76/58/44/551765844.db2.gz RBDPIRSPAIFZCO-AREMUKBSSA-N 0 0 588.926 6.857 50 30 KKEARN CC[C@H](C)c1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C(=O)OC(C)C)cc1 ZINC000002110727 551767076 /nfs/dbraw/zinc/76/70/76/551767076.db2.gz BRJQWWTWIIHNIX-LBPRGKRZSA-N 0 0 563.482 7.901 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)s1 ZINC000002111324 551767543 /nfs/dbraw/zinc/76/75/43/551767543.db2.gz PNVIKXNOPUJVDI-AREMUKBSSA-N 0 0 514.087 6.764 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000002111879 551767864 /nfs/dbraw/zinc/76/78/64/551767864.db2.gz KXXOSOAKXOXGEL-XMMPIXPASA-N 0 0 526.098 6.740 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000002112132 551767866 /nfs/dbraw/zinc/76/78/66/551767866.db2.gz SCHHHWXEIBNVEV-VWLOTQADSA-N 0 0 524.057 6.335 50 30 KKEARN C=CCOc1cccc([C@H]2Oc3nc(SCc4ccccc4Cl)nnc3-c3ccccc3N2C(C)=O)c1 ZINC000002122498 551771013 /nfs/dbraw/zinc/77/10/13/551771013.db2.gz HTFJRAWHZNDROG-HHHXNRCGSA-N 0 0 531.037 6.493 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002128693 551772423 /nfs/dbraw/zinc/77/24/23/551772423.db2.gz WOLGKUBDZFEOOC-UHFFFAOYSA-N 0 0 556.699 7.612 50 30 KKEARN COc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002139535 551774652 /nfs/dbraw/zinc/77/46/52/551774652.db2.gz BDRQDYWHZNLDIR-ACNNHMOPSA-N 0 0 514.625 7.434 50 30 biogenic KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151368 551778396 /nfs/dbraw/zinc/77/83/96/551778396.db2.gz YHXOXTZGPPCSHS-SANMLTNESA-N 0 0 557.488 6.758 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151483 551778539 /nfs/dbraw/zinc/77/85/39/551778539.db2.gz KAHPUCJAJBYXPB-AREMUKBSSA-N 0 0 559.460 6.130 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151952 551778775 /nfs/dbraw/zinc/77/87/75/551778775.db2.gz ZQZROBFYNRTDHL-LJAQVGFWSA-N 0 0 587.686 7.852 50 30 KKEARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3c(F)cccc3Cl)cc2s1 ZINC000002181402 551785021 /nfs/dbraw/zinc/78/50/21/551785021.db2.gz LXMLHHMNUFGXNP-LUOAPIJWSA-N 0 0 504.439 7.532 50 30 KKEARN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1 ZINC000002181394 551785027 /nfs/dbraw/zinc/78/50/27/551785027.db2.gz CLPMKIRTHOZKJV-KKMKTNMSSA-N 0 0 500.476 7.701 50 30 KKEARN Brc1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C/c1ccccc1Br)c1ccccc1 ZINC000002182658 551785779 /nfs/dbraw/zinc/78/57/79/551785779.db2.gz GKQASVQELPPBOH-PMYDLKCTSA-N 0 0 546.306 8.232 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000002185594 551786610 /nfs/dbraw/zinc/78/66/10/551786610.db2.gz GGNOHMQMFGIIEC-DJUQAAIZSA-N 0 0 525.601 5.385 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000002185596 551786633 /nfs/dbraw/zinc/78/66/33/551786633.db2.gz GGNOHMQMFGIIEC-JHOBJCJYSA-N 0 0 525.601 5.385 50 30 biogenic KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002185576 551786636 /nfs/dbraw/zinc/78/66/36/551786636.db2.gz BGODFGGVJXHANU-NJHZRGNWSA-N 0 0 507.630 6.579 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185669 551786779 /nfs/dbraw/zinc/78/67/79/551786779.db2.gz LWQKHZXICMJDJJ-MRDQGFSESA-N 0 0 509.986 5.392 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002185690 551786785 /nfs/dbraw/zinc/78/67/85/551786785.db2.gz ACRPOQAVPVWNMQ-SSOJOUAXSA-N 0 0 524.411 5.493 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000002185605 551786791 /nfs/dbraw/zinc/78/67/91/551786791.db2.gz RHLUIVIWLFASGJ-JCOAXYOVSA-N 0 0 588.056 6.061 50 30 KKEARN CCOc1c(I)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188099 551788444 /nfs/dbraw/zinc/78/84/44/551788444.db2.gz QDTDSHKTKOMJBV-AREMUKBSSA-N 0 0 553.440 7.161 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000002188595 551788540 /nfs/dbraw/zinc/78/85/40/551788540.db2.gz IOLFMQYGQNQAGB-JOCHJYFZSA-N 0 0 530.543 5.400 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000002188618 551788549 /nfs/dbraw/zinc/78/85/49/551788549.db2.gz RRHOMAHIFNGXNE-NRFANRHFSA-N 0 0 511.416 5.048 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1 ZINC000002188653 551788759 /nfs/dbraw/zinc/78/87/59/551788759.db2.gz OOIJCEOLPQCOTP-OAQYLSRUSA-N 0 0 531.472 5.500 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1Cl ZINC000002189322 551788929 /nfs/dbraw/zinc/78/89/29/551788929.db2.gz XNRBNQPJDIKFAC-JGCGQSQUSA-N 0 0 542.050 8.529 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191791 551790275 /nfs/dbraw/zinc/79/02/75/551790275.db2.gz MFUYVXOITCROGR-NPMABZOXSA-N 0 0 527.996 5.698 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191793 551790348 /nfs/dbraw/zinc/79/03/48/551790348.db2.gz MFUYVXOITCROGR-ZAMGYDSWSA-N 0 0 527.996 5.698 50 30 KKEARN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-[n+]2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000002195265 551791923 /nfs/dbraw/zinc/79/19/23/551791923.db2.gz UOCADPYUDXGMFC-UHFFFAOYSA-O 0 0 531.017 5.305 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002207212 551793579 /nfs/dbraw/zinc/79/35/79/551793579.db2.gz YQDQJJIIRRSXKY-UHFFFAOYSA-N 0 0 520.098 6.547 50 30 KKEARN O=C(C=Cc1ccccc1Cl)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccc(Cl)cc2)N1 ZINC000002253324 551801965 /nfs/dbraw/zinc/80/19/65/551801965.db2.gz KOWUWQLLCZOVCY-VTJDKEBTSA-N 0 0 522.823 6.945 50 30 KKEARN C=C(C)Cn1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002254726 551802693 /nfs/dbraw/zinc/80/26/93/551802693.db2.gz OINXAJDCGPRWCZ-UHFFFAOYSA-N 0 0 511.518 7.844 50 30 KKEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccc(Cl)cc2)c2ccccc2S1(=O)=O ZINC000002264344 551804359 /nfs/dbraw/zinc/80/43/59/551804359.db2.gz QWIDOUVRKKTVHJ-UHFFFAOYSA-N 0 0 509.027 5.516 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000002278565 551805735 /nfs/dbraw/zinc/80/57/35/551805735.db2.gz SQUPZZZGZQSEJS-UHFFFAOYSA-N 0 0 517.010 5.817 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2c1ccccc1 ZINC000002299382 551807735 /nfs/dbraw/zinc/80/77/35/551807735.db2.gz AJNLEPGHDIMHDI-VMPREFPWSA-N 0 0 521.660 8.092 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1Br ZINC000002223919 552081719 /nfs/dbraw/zinc/08/17/19/552081719.db2.gz YGRLTTYIHQKKSR-UHFFFAOYSA-N 0 0 507.841 5.498 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002345653 552098816 /nfs/dbraw/zinc/09/88/16/552098816.db2.gz LIWJPDPCJUEMRK-GDLZYMKVSA-N 0 0 542.598 5.623 50 30 KKEARN CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000002382450 552107520 /nfs/dbraw/zinc/10/75/20/552107520.db2.gz PAPLNLOOEBTREX-QFIPXVFZSA-N 0 0 518.458 5.564 50 30 KKEARN N#Cc1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(-c2cccs2)cc1C(F)(F)F ZINC000002383747 552107752 /nfs/dbraw/zinc/10/77/52/552107752.db2.gz BPKYDISWELDUFU-UHFFFAOYSA-N 0 0 555.447 7.469 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2Cc1ccccc1 ZINC000002393629 552109664 /nfs/dbraw/zinc/10/96/64/552109664.db2.gz OLENZEZLGCWWGN-XMMPIXPASA-N 0 0 525.354 5.710 50 30 KKEARN Cc1ccc(N2C(=O)[C@@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002396940 552110412 /nfs/dbraw/zinc/11/04/12/552110412.db2.gz JSJIMCUCGVGADR-XMMPIXPASA-N 0 0 540.991 5.226 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2C1CCCCCC1 ZINC000002399996 552111194 /nfs/dbraw/zinc/11/11/94/552111194.db2.gz ZIAFKZSBHBZCMF-XMMPIXPASA-N 0 0 530.509 5.945 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5cccc6ccccc65)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002401049 552111496 /nfs/dbraw/zinc/11/14/96/552111496.db2.gz CLJMPTRKCFGYOB-HHHXNRCGSA-N 0 0 532.600 6.033 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002407333 552112841 /nfs/dbraw/zinc/11/28/41/552112841.db2.gz JQHOLCXFDYGHPL-HHHXNRCGSA-N 0 0 520.592 5.570 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5ccc(C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002422471 552116235 /nfs/dbraw/zinc/11/62/35/552116235.db2.gz KSIIHEQSKQNHAQ-RUZDIDTESA-N 0 0 526.593 5.196 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002424971 552116423 /nfs/dbraw/zinc/11/64/23/552116423.db2.gz ZHLDLMGMGWESQH-RUZDIDTESA-N 0 0 518.573 5.826 50 30 KKEARN Cc1ccc(N2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002424536 552116461 /nfs/dbraw/zinc/11/64/61/552116461.db2.gz JEPDBJPFDYKLEE-XMMPIXPASA-N 0 0 524.461 5.735 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccc(F)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002425518 552116706 /nfs/dbraw/zinc/11/67/06/552116706.db2.gz CLYFKDTWLZVUJJ-QFIPXVFZSA-N 0 0 500.530 5.115 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000002425729 552116740 /nfs/dbraw/zinc/11/67/40/552116740.db2.gz UKODMAVGVHFVGM-UDNBHOFDSA-N 0 0 545.635 6.410 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CSc4nc5ccccc5s4)nc3c1[C@@H]2c1ccccc1 ZINC000002428103 552117237 /nfs/dbraw/zinc/11/72/37/552117237.db2.gz OTGCDTCNBJHEJI-JOCHJYFZSA-N 0 0 525.659 6.194 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccccc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002429344 552117538 /nfs/dbraw/zinc/11/75/38/552117538.db2.gz WNMKGKRQDAUPQW-OJWDOEOWSA-N 0 0 544.011 5.505 50 30 KKEARN COc1ccc(CN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002430685 552117696 /nfs/dbraw/zinc/11/76/96/552117696.db2.gz BWZPRDOSSHXUMV-MHZLTWQESA-N 0 0 520.592 5.458 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccccc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002431857 552118013 /nfs/dbraw/zinc/11/80/13/552118013.db2.gz KMARLRBNEKJHOC-QFIPXVFZSA-N 0 0 516.985 5.629 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1ccco1 ZINC000002437985 552118992 /nfs/dbraw/zinc/11/89/92/552118992.db2.gz YBPNVGKWXMHXNQ-UHFFFAOYSA-N 0 0 512.227 5.288 50 30 KKEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000002531124 552127608 /nfs/dbraw/zinc/12/76/08/552127608.db2.gz MUULCRJAEZJZID-KBVAKVRCSA-N 0 0 583.449 6.053 50 30 KKEARN CCOc1cc(/C=N/NC(=S)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002542762 552128404 /nfs/dbraw/zinc/12/84/04/552128404.db2.gz YPAMTOLCAJOMKY-MZJWZYIUSA-N 0 0 502.423 6.240 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2cccc(C)c2)cc1 ZINC000002543810 552128624 /nfs/dbraw/zinc/12/86/24/552128624.db2.gz XBGCRLDUIWVGML-JVWAILMASA-N 0 0 526.456 6.086 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)cc1 ZINC000002578224 552130786 /nfs/dbraw/zinc/13/07/86/552130786.db2.gz XGYQCYPLAFMXLV-UHFFFAOYSA-N 0 0 544.489 8.217 50 30 KKEARN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CSC1=CC(=O)C(=O)c2ccc(Br)cc21 ZINC000002592831 552132991 /nfs/dbraw/zinc/13/29/91/552132991.db2.gz CFBBLXDLVZAYHH-UHFFFAOYSA-N 0 0 593.293 5.928 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1CCCc1ccccc1 ZINC000002593185 552133343 /nfs/dbraw/zinc/13/33/43/552133343.db2.gz RLRMVMHSCOZMPU-WJOKGBTCSA-N 0 0 564.604 6.137 50 30 KKEARN COc1cccc(CN2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000002605523 552135971 /nfs/dbraw/zinc/13/59/71/552135971.db2.gz URUMMOJCFAJHRI-SANMLTNESA-N 0 0 584.513 5.439 50 30 KKEARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000002618904 552137507 /nfs/dbraw/zinc/13/75/07/552137507.db2.gz YBJDEOJKHSTUMJ-UHFFFAOYSA-N 0 0 526.014 5.003 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)nc2ccccc2c1=O ZINC000002639742 552142307 /nfs/dbraw/zinc/14/23/07/552142307.db2.gz FQTYEDIMGFXZJX-ZDUSSCGKSA-N 0 0 517.463 6.132 50 30 KKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002652785 552147492 /nfs/dbraw/zinc/14/74/92/552147492.db2.gz SMCVKZNCYYZQPF-QGZVFWFLSA-N 0 0 533.786 7.430 50 30 KKEARN Cc1ccc(-n2c(SCCC(C#N)(c3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1C ZINC000002656157 552149170 /nfs/dbraw/zinc/14/91/70/552149170.db2.gz WYTKSKHXBWJUHL-UHFFFAOYSA-N 0 0 500.671 7.543 50 30 KKEARN COc1ccc(-c2csc(C(C#N)C(=O)C3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)n2)cc1OC ZINC000002659605 552149909 /nfs/dbraw/zinc/14/99/09/552149909.db2.gz QUBPHIZJXDMXJS-HSZRJFAPSA-N 0 0 567.733 5.338 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000002678623 552154052 /nfs/dbraw/zinc/15/40/52/552154052.db2.gz JABYSVDUPQHPCN-GJFKPFFXSA-N 0 0 551.451 5.531 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cccs3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002679395 552154491 /nfs/dbraw/zinc/15/44/91/552154491.db2.gz VDXAHGTZHHSUJT-UHFFFAOYSA-N 0 0 585.798 6.610 50 30 KKEARN COc1ccc(N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002685750 552156398 /nfs/dbraw/zinc/15/63/98/552156398.db2.gz MKAWFTGWTGWLRG-QHCPKHFHSA-N 0 0 528.630 5.009 50 30 KKEARN O=[N+]([O-])c1ccccc1O/C(=N/C1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F ZINC000002689800 552158068 /nfs/dbraw/zinc/15/80/68/552158068.db2.gz NPZNBVYKHQRJNB-DHRITJCHSA-N 0 0 540.492 6.737 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1sc2cc(OC)ccc2c1Cl ZINC000002690527 552158374 /nfs/dbraw/zinc/15/83/74/552158374.db2.gz XQIZWMZEVSFHBP-UHFFFAOYSA-N 0 0 532.090 7.650 50 30 KKEARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCCCC4)cc12 ZINC000002726759 552167124 /nfs/dbraw/zinc/16/71/24/552167124.db2.gz LGBKCWRLELXXBT-UHFFFAOYSA-N 0 0 512.704 6.635 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002727305 552167581 /nfs/dbraw/zinc/16/75/81/552167581.db2.gz WKYDGNWWGIOPBD-ACSYHNTCSA-N 0 0 553.636 5.838 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000002729017 552167792 /nfs/dbraw/zinc/16/77/92/552167792.db2.gz LRGWZAAHTHDPGF-HNNXBMFYSA-N 0 0 558.029 7.405 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000002729018 552167826 /nfs/dbraw/zinc/16/78/26/552167826.db2.gz LRGWZAAHTHDPGF-OAHLLOKOSA-N 0 0 558.029 7.405 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002731712 552168606 /nfs/dbraw/zinc/16/86/06/552168606.db2.gz URSOQTRVNWVBGJ-UZTOHYMASA-N 0 0 586.548 6.124 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002731769 552168608 /nfs/dbraw/zinc/16/86/08/552168608.db2.gz QEHAGPMYBWRUGJ-WINIVTDRSA-N 0 0 526.029 5.299 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002735260 552169586 /nfs/dbraw/zinc/16/95/86/552169586.db2.gz QCRDRILDHWLUKW-CCLHPLFOSA-N 0 0 530.602 5.640 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n1)CCCC2 ZINC000002739925 552171577 /nfs/dbraw/zinc/17/15/77/552171577.db2.gz PKPXKBGUFNWZPE-UHFFFAOYSA-N 0 0 546.372 6.242 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002740976 552171742 /nfs/dbraw/zinc/17/17/42/552171742.db2.gz CEVLSZINEQPMHP-OOWIMERYSA-N 0 0 507.630 6.579 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000002740948 552171753 /nfs/dbraw/zinc/17/17/53/552171753.db2.gz ZKWNVGWYRHTDFP-LYZGTLIUSA-N 0 0 550.493 6.695 50 30 KKEARN N#Cc1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)cc2)sc2c1CCCCCC2 ZINC000002746513 552173770 /nfs/dbraw/zinc/17/37/70/552173770.db2.gz CBMYQNSHLUMCSA-UHFFFAOYSA-N 0 0 542.730 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C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002851080 552200983 /nfs/dbraw/zinc/20/09/83/552200983.db2.gz DAOFISVKZWUARL-JOCHJYFZSA-N 0 0 542.503 5.393 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](C)NC(=O)c1ccccc1Br ZINC000002851685 552201127 /nfs/dbraw/zinc/20/11/27/552201127.db2.gz MKJKFBDBIPJQIX-AWEZNQCLSA-N 0 0 573.542 5.094 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](C)NC(=O)c1ccccc1Br ZINC000002851684 552201147 /nfs/dbraw/zinc/20/11/47/552201147.db2.gz MKJKFBDBIPJQIX-CQSZACIVSA-N 0 0 573.542 5.094 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)nnc1-c1cc(Br)ccc1O ZINC000002852589 552201377 /nfs/dbraw/zinc/20/13/77/552201377.db2.gz WERCDJORZIMNEW-UHFFFAOYSA-N 0 0 551.850 5.160 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](C)NC(=O)c1cccs1 ZINC000002859271 552203125 /nfs/dbraw/zinc/20/31/25/552203125.db2.gz XZGUDMIOSSRWCQ-HNNXBMFYSA-N 0 0 524.697 5.179 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000002859350 552203401 /nfs/dbraw/zinc/20/34/01/552203401.db2.gz VZJIDVGJWVEJHL-CQSZACIVSA-N 0 0 505.427 5.246 50 30 KKEARN COc1cc(Br)cc(C2C3=C(CCCC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1O ZINC000002861181 552204168 /nfs/dbraw/zinc/20/41/68/552204168.db2.gz OJXOPATZBLRIAB-UHFFFAOYSA-N 0 0 512.375 5.920 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cc2cccc(OC)c2o1 ZINC000002861080 552204175 /nfs/dbraw/zinc/20/41/75/552204175.db2.gz AVTYWQMWGFDTOC-UHFFFAOYSA-N 0 0 522.936 6.289 50 30 KKEARN CCc1c(C#N)c(SCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)nc2c1C(=O)CC(C)(C)C2 ZINC000002889154 552210639 /nfs/dbraw/zinc/21/06/39/552210639.db2.gz KDOCVAPLHLQCMA-UHFFFAOYSA-N 0 0 540.714 7.068 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3nsc(-c4ccccc4)n3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002889136 552210643 /nfs/dbraw/zinc/21/06/43/552210643.db2.gz MGPJKQMOFYTGAW-UHFFFAOYSA-N 0 0 555.685 6.033 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)nc2sc3c(c2c1=O)CCC3 ZINC000002889174 552210776 /nfs/dbraw/zinc/21/07/76/552210776.db2.gz DVLBWHKVYDPIOA-AWEZNQCLSA-N 0 0 543.736 5.227 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3)n2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002890695 552211450 /nfs/dbraw/zinc/21/14/50/552211450.db2.gz LHUNQTFZCJBYBT-UHFFFAOYSA-N 0 0 521.649 5.462 50 30 KKEARN CCc1c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)nc2c1C(=O)CC(C)(C)C2 ZINC000002890805 552211744 /nfs/dbraw/zinc/21/17/44/552211744.db2.gz GHANSECFMLEKRU-UHFFFAOYSA-N 0 0 512.060 5.573 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(I)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002896418 552211916 /nfs/dbraw/zinc/21/19/16/552211916.db2.gz RLLDZBHDMKLBIY-NRFANRHFSA-N 0 0 505.396 5.381 50 30 KKEARN Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(O)cc4)c(F)c3F)c(F)c2F)cc1 ZINC000002905284 552212722 /nfs/dbraw/zinc/21/27/22/552212722.db2.gz UNMOODLIKRQYEJ-UHFFFAOYSA-N 0 0 514.324 7.462 50 30 KKEARN Brc1ccc(/C=N/c2ccc3c(c2)ncn3-c2ccc(/N=C\c3ccc(Br)cc3)cc2)cc1 ZINC000002903092 552212735 /nfs/dbraw/zinc/21/27/35/552212735.db2.gz IWQXTIGRSOZHER-RQCICOGXSA-N 0 0 558.277 8.052 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002925492 552223231 /nfs/dbraw/zinc/22/32/31/552223231.db2.gz OMZADOWJJZXNFY-HLADLETHSA-N 0 0 509.602 5.809 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925725 552223556 /nfs/dbraw/zinc/22/35/56/552223556.db2.gz MICVDDFWFDVODX-CRYYWNKWSA-N 0 0 584.894 6.679 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002925814 552223919 /nfs/dbraw/zinc/22/39/19/552223919.db2.gz UIOLVNZBZQWHQL-WXTAPIANSA-N 0 0 530.448 5.943 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926098 552223954 /nfs/dbraw/zinc/22/39/54/552223954.db2.gz KEOQLGGCWKLDDA-DCFHFQCYSA-N 0 0 510.461 7.231 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002925810 552223979 /nfs/dbraw/zinc/22/39/79/552223979.db2.gz UIOLVNZBZQWHQL-DWXRJYCRSA-N 0 0 530.448 5.943 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002927096 552224851 /nfs/dbraw/zinc/22/48/51/552224851.db2.gz PPDVPSDWFKHACX-KPURRNSFSA-N 0 0 530.020 6.029 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002927268 552224861 /nfs/dbraw/zinc/22/48/61/552224861.db2.gz RBYVTKLESZCTFU-CHJDUVSTSA-N 0 0 562.493 7.150 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002927266 552224871 /nfs/dbraw/zinc/22/48/71/552224871.db2.gz RBYVTKLESZCTFU-SMSORMJASA-N 0 0 562.493 7.150 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002927321 552224905 /nfs/dbraw/zinc/22/49/05/552224905.db2.gz PTDOERBWJJUYBW-PIKZIKFNSA-N 0 0 537.678 5.370 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc2ccccc21 ZINC000002927645 552225169 /nfs/dbraw/zinc/22/51/69/552225169.db2.gz XPDOTZOSMMGQHT-JHOBJCJYSA-N 0 0 511.618 5.790 50 30 KKEARN C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000002961825 552233988 /nfs/dbraw/zinc/23/39/88/552233988.db2.gz MLTFWHJDBOIMPW-UHFFFAOYSA-N 0 0 511.672 6.165 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000002981101 552250200 /nfs/dbraw/zinc/25/02/00/552250200.db2.gz KWRLMPIRYMLKEJ-SSEXGKCCSA-N 0 0 507.630 6.710 50 30 KKEARN Cc1cc(C)cc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000003043012 552273611 /nfs/dbraw/zinc/27/36/11/552273611.db2.gz BMANNUUEYDVTCU-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN COc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 ZINC000003042978 552273643 /nfs/dbraw/zinc/27/36/43/552273643.db2.gz FMSXHUVAEITGAV-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2cccc(C)c2)C1=O ZINC000003044272 552275158 /nfs/dbraw/zinc/27/51/58/552275158.db2.gz YSNNTGNXFAEQEC-NFFVHWSESA-N 0 0 507.457 5.557 50 30 KKEARN Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3cc(Br)ccc32)c1 ZINC000003044254 552275184 /nfs/dbraw/zinc/27/51/84/552275184.db2.gz DKDDXSPAZSVVLY-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cc(C)cc3C)c3cc(Br)ccc32)c1 ZINC000003044277 552275408 /nfs/dbraw/zinc/27/54/08/552275408.db2.gz QVJTZKRZCOISPY-OLFWJLLRSA-N 0 0 521.484 5.920 50 30 KKEARN Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 ZINC000003044337 552275409 /nfs/dbraw/zinc/27/54/09/552275409.db2.gz LAHOWERQKHCWFN-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000003049849 552277094 /nfs/dbraw/zinc/27/70/94/552277094.db2.gz VUCVBMPJLDJAKU-YSURURNPSA-N 0 0 509.130 6.862 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000003066627 552285066 /nfs/dbraw/zinc/28/50/66/552285066.db2.gz MFUTUFIWLFBDAV-JQAMDZJQSA-N 0 0 571.052 7.791 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1c(Br)cc(/C=N/c2cccc(Cl)c2)cc1Br ZINC000003085807 552286084 /nfs/dbraw/zinc/28/60/84/552286084.db2.gz GLJIJRDWDRDZCZ-OOKYBRISSA-N 0 0 598.516 7.997 50 30 KKEARN CCCCCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003084906 552286114 /nfs/dbraw/zinc/28/61/14/552286114.db2.gz XJIOIFORLCTOKI-FPMFRTRJSA-N 0 0 545.315 6.252 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000003085115 552286123 /nfs/dbraw/zinc/28/61/23/552286123.db2.gz ZJJJMPUBIAQSSH-FOKLQQMPSA-N 0 0 519.136 6.318 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000003098529 552287970 /nfs/dbraw/zinc/28/79/70/552287970.db2.gz XLNXCJZJONTJBK-VKGTZQKMSA-N 0 0 564.476 6.415 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098539 552287986 /nfs/dbraw/zinc/28/79/86/552287986.db2.gz POXKYUMEUNDDIR-LXFBAYGMSA-N 0 0 528.446 6.554 50 30 KKEARN Brc1cccc(-c2nc3ccc(/N=C/c4cccc(I)c4)cc3o2)c1 ZINC000003102969 552288222 /nfs/dbraw/zinc/28/82/22/552288222.db2.gz XWYMGONMSDFQAR-FSJBWODESA-N 0 0 503.137 6.613 50 30 KKEARN Clc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(I)cc5)o4)ccc3o2)cc1Cl ZINC000003113794 552290168 /nfs/dbraw/zinc/29/01/68/552290168.db2.gz XKQHSFTZIBQKMS-XODNFHPESA-N 0 0 559.190 8.417 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1O ZINC000003113603 552290183 /nfs/dbraw/zinc/29/01/83/552290183.db2.gz JTPXCOGXJUHPSB-JQAMDZJQSA-N 0 0 571.052 7.791 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1)c1ccc(Br)cc1 ZINC000003116397 552290393 /nfs/dbraw/zinc/29/03/93/552290393.db2.gz LXYCFFKSHWBIEC-IBBHUPRXSA-N 0 0 549.783 8.020 50 30 KKEARN Cc1ccc(N[C@@]2(NS(=O)(=O)c3ccc(C)cc3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000003123245 552291161 /nfs/dbraw/zinc/29/11/61/552291161.db2.gz YZANZYXHMAVSSD-LJQANCHMSA-N 0 0 577.144 6.010 50 30 KKEARN O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003134550 552292977 /nfs/dbraw/zinc/29/29/77/552292977.db2.gz MEOKXXYYUOHRGV-UHFFFAOYSA-N 0 0 518.769 6.042 50 30 KKEARN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1O ZINC000003139248 552294251 /nfs/dbraw/zinc/29/42/51/552294251.db2.gz HGCWIEYIXJHKOZ-BRJLIKDPSA-N 0 0 563.189 6.717 50 30 KKEARN Cc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(C)c(C)c4)c(F)c3F)c(F)c2F)cc1C ZINC000003143384 552295944 /nfs/dbraw/zinc/29/59/44/552295944.db2.gz MITWGIYBSXYIGI-UHFFFAOYSA-N 0 0 538.434 9.285 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5ccc(Cl)cc5)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003143709 552296142 /nfs/dbraw/zinc/29/61/42/552296142.db2.gz ZBMMQOADFLMKKK-RWPZCVJISA-N 0 0 514.881 7.508 50 30 KKEARN Cc1cc2nc(-c3cccc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c3)oc2cc1C ZINC000003143689 552296179 /nfs/dbraw/zinc/29/61/79/552296179.db2.gz VRBZGDOCSPTMOG-MUFRIFMGSA-N 0 0 508.490 7.471 50 30 KKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)OC3=C(Sc4ccccc4[N+](=O)[O-])C(=O)CCC3)cc12 ZINC000003166921 552298320 /nfs/dbraw/zinc/29/83/20/552298320.db2.gz ZUCNXVVYYNJHPH-UHFFFAOYSA-N 0 0 505.577 6.217 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003186966 552301624 /nfs/dbraw/zinc/30/16/24/552301624.db2.gz RZZPJHJCDHSZFS-KYJUHHDHSA-N 0 0 504.586 6.224 50 30 KKEARN O=C(Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003189516 552301936 /nfs/dbraw/zinc/30/19/36/552301936.db2.gz OXNQESBHZGZRME-UHFFFAOYSA-N 0 0 575.349 6.071 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2Cc2ccccc2)c1 ZINC000003220978 552310140 /nfs/dbraw/zinc/31/01/40/552310140.db2.gz YMSCLYLBWLPIJT-UHFFFAOYSA-N 0 0 595.150 5.280 50 30 KKEARN O=C(CNc1cc(C(F)(F)F)ccc1N1CCOCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003222057 552310745 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552417970 /nfs/dbraw/zinc/41/79/70/552417970.db2.gz TZJKZXJXXILPNV-DDBFQISPSA-N 0 0 560.679 5.023 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000003941613 552423479 /nfs/dbraw/zinc/42/34/79/552423479.db2.gz JQYSIZOFYKTGGO-KOEQRZSOSA-N 0 0 507.555 5.284 50 30 KKEARN CCN(CCNS(C)(=O)=O)c1ccc(/N=C2/C=C(C(=O)NCCCCOc3ccc(C(C)(C)CC)cc3C(C)(C)CC)C(=O)c3ccccc32)c(C)c1 ZINC000004015041 552426506 /nfs/dbraw/zinc/42/65/06/552426506.db2.gz BVGWEBSHTYMPPX-GPKTZOODSA-N 0 0 743.027 7.965 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2cc(Cl)ccc2SCCSc2ccc(Cl)cc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004015250 552426531 /nfs/dbraw/zinc/42/65/31/552426531.db2.gz ZHVFCCYEYJIKKL-LTTYKRRRSA-N 0 0 611.532 9.195 50 30 KKEARN CC(C)(c1ccc(Oc2cccc(/N=C/c3ccccc3O)c2)cc1)c1ccc(Oc2cccc(/N=C/c3ccccc3O)c2)cc1 ZINC000004017875 552428827 /nfs/dbraw/zinc/42/88/27/552428827.db2.gz UJEWTWOXRDNROO-XWSCKCIKSA-N 0 0 618.733 10.510 50 30 KKEARN O=C(Nc1ccc(-c2nc3c(ccc(NC(=O)c4ccc(N=Cc5ccccn5)cc4)c3Cl)[nH]2)cc1Cl)c1ccc(N=Cc2ccccn2)cc1 ZINC000004017885 552428844 /nfs/dbraw/zinc/42/88/44/552428844.db2.gz SILGXOZGTIGUIU-RMMYSIIPSA-N 0 0 709.597 9.333 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000004044939 552430558 /nfs/dbraw/zinc/43/05/58/552430558.db2.gz YTDONTYBJJWRCK-IGPZKQPZSA-N 0 0 534.262 8.018 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 ZINC000004044996 552430597 /nfs/dbraw/zinc/43/05/97/552430597.db2.gz VPJCUCYVJLPQOY-UUWRZZSWSA-N 0 0 564.730 8.038 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Br)c(OCc3ccccc3)c(I)c2)nc1 ZINC000004048026 552431389 /nfs/dbraw/zinc/43/13/89/552431389.db2.gz NBPMSXNVJMOMJU-AUEPDCJTSA-N 0 0 553.154 5.382 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004048264 552431640 /nfs/dbraw/zinc/43/16/40/552431640.db2.gz CPWCXBPXUUYCTP-GROPNIIDSA-N 0 0 530.719 7.029 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4sc(C)nc4c3)N(c3ccc(C)cc3)C1=O)S2 ZINC000004048262 552431665 /nfs/dbraw/zinc/43/16/65/552431665.db2.gz YRVADASWVLIOPJ-NPGLLJSBSA-N 0 0 530.700 7.100 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004064860 552432120 /nfs/dbraw/zinc/43/21/20/552432120.db2.gz ULBHKGVKJGMYAV-OGVWKLGRSA-N 0 0 502.614 7.254 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000004067542 552432916 /nfs/dbraw/zinc/43/29/16/552432916.db2.gz GQAOCDIPWHYEFI-VVFBEHOQSA-N 0 0 523.629 5.938 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004067506 552432962 /nfs/dbraw/zinc/43/29/62/552432962.db2.gz QFFUMWYJDFGFQK-NPMXOYFQSA-N 0 0 546.845 5.741 50 30 biogenic,in-vitro KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004067540 552433025 /nfs/dbraw/zinc/43/30/25/552433025.db2.gz VVRPZBXUEUIJSX-ZORMNXRFSA-N 0 0 551.683 6.632 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067816 552433209 /nfs/dbraw/zinc/43/32/09/552433209.db2.gz RKNJSWMVVBCSJN-AVRWGWEMSA-N 0 0 556.453 5.105 50 30 biogenic,in-vitro KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4nc(C)sc4c3)N(C3CCCCC3)C1=O)S2 ZINC000004081436 552433601 /nfs/dbraw/zinc/43/36/01/552433601.db2.gz KTHNMIRIJSJCJO-CNPBBGJZSA-N 0 0 522.721 6.920 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000004080880 552433633 /nfs/dbraw/zinc/43/36/33/552433633.db2.gz LOASNIOZBWYJBS-XDCSYDRFSA-N 0 0 532.640 7.262 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004082019 552433850 /nfs/dbraw/zinc/43/38/50/552433850.db2.gz LUSZUGHWOXRANK-OGVWKLGRSA-N 0 0 536.672 7.551 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000004082677 552434196 /nfs/dbraw/zinc/43/41/96/552434196.db2.gz AFCNXEUGZMMRTC-FEERPNRMSA-N 0 0 562.666 7.271 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccccc2Cl)N(CCc2ccccc2)C1=O ZINC000004091157 552435372 /nfs/dbraw/zinc/43/53/72/552435372.db2.gz ORNIGYJEAVSWPZ-ILRPLKKTSA-N 0 0 512.487 7.210 50 30 KKEARN CCN(CCO)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)c(C)c1 ZINC000004091144 552435390 /nfs/dbraw/zinc/43/53/90/552435390.db2.gz USVGOJWSOMNQIJ-KIFPJBGMSA-N 0 0 579.191 6.684 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCCCOc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000004107351 552437187 /nfs/dbraw/zinc/43/71/87/552437187.db2.gz RWQIGDIXFOZXFP-OLEXWJNVSA-N 0 0 607.930 9.364 50 30 KKEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\CCCCOc1ccc(C(C)(C)CC)cc1C(C)(C)CC ZINC000004108969 552437368 /nfs/dbraw/zinc/43/73/68/552437368.db2.gz QLUITEDFTQVKSI-SDDBUVTHSA-N 0 0 579.876 8.583 50 30 KKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3cccc(Oc4cccc(C(F)(F)F)c4)c3)C(=O)c3ccsc3CN12 ZINC000004108863 552437377 /nfs/dbraw/zinc/43/73/77/552437377.db2.gz YIWWXCMDPMHLPE-HYDUIHFESA-N 0 0 549.595 8.184 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c(C)c1 ZINC000004109166 552437609 /nfs/dbraw/zinc/43/76/09/552437609.db2.gz JTXSWJMNNXCICS-BZUZNSEFSA-N 0 0 516.692 6.726 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000004111814 552438208 /nfs/dbraw/zinc/43/82/08/552438208.db2.gz QNVFHGUPXPJLHQ-DFHRPNOPSA-N 0 0 503.595 5.324 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112683 552438364 /nfs/dbraw/zinc/43/83/64/552438364.db2.gz IMTZAABVRCJMTN-WBBHLRKXSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004112763 552438442 /nfs/dbraw/zinc/43/84/42/552438442.db2.gz WIYVQIUCFPXCLE-HMILPKGGSA-N 0 0 596.518 6.409 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1OC(=O)c1cccc(Br)c1 ZINC000004293114 552456978 /nfs/dbraw/zinc/45/69/78/552456978.db2.gz OWOKTPCUASTHJL-DHRITJCHSA-N 0 0 502.365 5.137 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004391217 552458489 /nfs/dbraw/zinc/45/84/89/552458489.db2.gz HFFIVKRSILHFDQ-GVUSLMEPSA-N 0 0 546.579 6.151 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000004391400 552458533 /nfs/dbraw/zinc/45/85/33/552458533.db2.gz ZPVRLWVXRFPENY-WGDIFIGCSA-N 0 0 504.583 5.602 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000004434120 552461362 /nfs/dbraw/zinc/46/13/62/552461362.db2.gz SRDJFFCEZRFJKF-WJOKGBTCSA-N 0 0 568.511 8.499 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2OC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000004480223 552461622 /nfs/dbraw/zinc/46/16/22/552461622.db2.gz GTWMCSVMRFTCAU-KCSSXMTESA-N 0 0 574.496 7.813 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004531524 552463622 /nfs/dbraw/zinc/46/36/22/552463622.db2.gz PWWBCLJSKVOECF-QEWUMVGNSA-N 0 0 667.416 9.031 50 30 KKEARN COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004546258 552465747 /nfs/dbraw/zinc/46/57/47/552465747.db2.gz VQUJTJJNPHDQSI-WDEDYMKJSA-N 0 0 515.609 6.028 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000004552459 552466933 /nfs/dbraw/zinc/46/69/33/552466933.db2.gz ORKTYYMXNNFWLQ-MDWZMJQESA-N 0 0 509.197 6.616 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000004635776 552469513 /nfs/dbraw/zinc/46/95/13/552469513.db2.gz GMRRHMKRKFFTPD-NGOKVRLYSA-N 0 0 562.588 6.723 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000004635882 552469827 /nfs/dbraw/zinc/46/98/27/552469827.db2.gz RWPJXSOHMITZQF-JOCHJYFZSA-N 0 0 504.892 5.694 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788084 552482630 /nfs/dbraw/zinc/48/26/30/552482630.db2.gz MLURZKWFYWVRKR-WNSROMTISA-N 0 0 595.740 6.559 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788206 552482723 /nfs/dbraw/zinc/48/27/23/552482723.db2.gz KLOOPGODGRKKKM-QCBOHVIISA-N 0 0 595.740 6.559 50 30 KKEARN CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793650 552485543 /nfs/dbraw/zinc/48/55/43/552485543.db2.gz FPQUWUFVBLGCQF-GOSISDBHSA-N 0 0 502.478 5.871 50 30 KKEARN Cc1cc(C2(c3cc(C)c(O)c(Br)c3C(C)C)OS(=O)(=O)c3ccccc32)c(C(C)C)c(Br)c1O ZINC000005224134 552495237 /nfs/dbraw/zinc/49/52/37/552495237.db2.gz CJBMVMMYECULNQ-UHFFFAOYSA-N 0 0 624.391 7.497 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005355279 552498569 /nfs/dbraw/zinc/49/85/69/552498569.db2.gz BYKXEOZUEXTFEF-XMMPIXPASA-N 0 0 562.688 6.416 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005355207 552498636 /nfs/dbraw/zinc/49/86/36/552498636.db2.gz YDKOQKYKPZFLPB-DEOSSOPVSA-N 0 0 548.661 6.242 50 30 KKEARN Ic1ccc(/N=C/c2ccc(/C=N/c3ccc(I)cc3)cc2)cc1 ZINC000005410205 552501490 /nfs/dbraw/zinc/50/14/90/552501490.db2.gz BKFHFOFWZMIUCR-RNIAWFEPSA-N 0 0 536.154 6.397 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005918582 552511638 /nfs/dbraw/zinc/51/16/38/552511638.db2.gz WPRQPBXNSUHWCL-XHCCPWGMSA-N 0 0 501.579 5.951 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005918573 552511717 /nfs/dbraw/zinc/51/17/17/552511717.db2.gz ZBZNHZLOUCVENJ-PIIWDFAUSA-N 0 0 512.606 5.753 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918812 552512055 /nfs/dbraw/zinc/51/20/55/552512055.db2.gz VXJKOMADERUPBC-DNOBIOAJSA-N 0 0 517.578 5.569 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005927755 552513023 /nfs/dbraw/zinc/51/30/23/552513023.db2.gz ZYMLTYHALVJJON-QHCPKHFHSA-N 0 0 534.634 5.852 50 30 KKEARN Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O ZINC000006013528 552518744 /nfs/dbraw/zinc/51/87/44/552518744.db2.gz BIKIIKRVHAYSDV-SZXQPVLSSA-N 0 0 515.816 5.781 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\C=C(c3ccccc3)OC2=O)cc1I ZINC000006073532 552521276 /nfs/dbraw/zinc/52/12/76/552521276.db2.gz UQBJCNBXTGGWTK-OQLLNIDSSA-N 0 0 556.137 5.442 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000006075272 552527194 /nfs/dbraw/zinc/52/71/94/552527194.db2.gz RDDLGKKHOCSNCD-ZDUSSCGKSA-N 0 0 513.545 6.345 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)CNc1ccc2c(c1)OCO2 ZINC000006077085 552528532 /nfs/dbraw/zinc/52/85/32/552528532.db2.gz VEWYYFUKWNFISH-UHFFFAOYSA-N 0 0 573.642 5.842 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000006077112 552528540 /nfs/dbraw/zinc/52/85/40/552528540.db2.gz VNPHVXSZOFXIKP-PMERELPUSA-N 0 0 528.479 9.035 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)cc(-c3ccc(OC)c(OC)c3)c1C#N)CCCC2 ZINC000006089533 552532170 /nfs/dbraw/zinc/53/21/70/552532170.db2.gz YNZHYQZGVLITOC-UHFFFAOYSA-N 0 0 613.761 7.152 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(OCc4ccccc4)c(OC)c3)c2C#N)cc1 ZINC000006089873 552533262 /nfs/dbraw/zinc/53/32/62/552533262.db2.gz KUOYYRMTZBCZMZ-UHFFFAOYSA-N 0 0 601.728 8.004 50 30 KKEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000006094792 552534223 /nfs/dbraw/zinc/53/42/23/552534223.db2.gz AEKWZCPVNPQJTR-SANMLTNESA-N 0 0 520.614 5.459 50 30 KKEARN Cc1c(/N=C/c2cc(Br)ccc2NS(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000006101602 552534501 /nfs/dbraw/zinc/53/45/01/552534501.db2.gz XHLCCHRLORBRFW-JVWAILMASA-N 0 0 539.455 5.107 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000006143593 552545163 /nfs/dbraw/zinc/54/51/63/552545163.db2.gz YKJFEXQEFNAQKA-FQEVSTJZSA-N 0 0 523.014 5.824 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)cc2)cc1C ZINC000006144538 552546648 /nfs/dbraw/zinc/54/66/48/552546648.db2.gz QNLMYUGOGMKCIV-WPWMEQJKSA-N 0 0 518.635 5.142 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(Cl)ccc3OC)c2C#N)cc1 ZINC000006157101 552552955 /nfs/dbraw/zinc/55/29/55/552552955.db2.gz JEGFVMVESLVRAV-UHFFFAOYSA-N 0 0 516.022 6.689 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c2C#N)cc1 ZINC000006157121 552553136 /nfs/dbraw/zinc/55/31/36/552553136.db2.gz QTHYXMSPPGJURE-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN Cc1sc(NC(=O)CSc2nnc(CSc3nc4sc5c(c4c(N)n3)CCC5)n2-c2ccccc2)c(C#N)c1C ZINC000006157369 552553632 /nfs/dbraw/zinc/55/36/32/552553632.db2.gz VUMLGZKQTYPHAF-UHFFFAOYSA-N 0 0 604.812 5.916 50 30 KKEARN COc1cccc(NC2=C(Sc3nc(C)cc(C)c3C#N)C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000006161473 552553660 /nfs/dbraw/zinc/55/36/60/552553660.db2.gz OSMAREKPWCWEGX-UHFFFAOYSA-N 0 0 525.417 5.875 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162092 552554915 /nfs/dbraw/zinc/55/49/15/552554915.db2.gz ZCLGIQHUEBVUQB-RCRUUEGKSA-N 0 0 533.665 6.198 50 30 KKEARN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N)C(=O)Nc1cccc2ccccc21 ZINC000006177428 552560496 /nfs/dbraw/zinc/56/04/96/552560496.db2.gz FLDYBZNYFSVNJH-HXUWFJFHSA-N 0 0 520.057 8.213 50 30 KKEARN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000006177784 552560639 /nfs/dbraw/zinc/56/06/39/552560639.db2.gz IOMPUOYSIDNZQO-JVWAILMASA-N 0 0 506.425 7.667 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006196036 552568185 /nfs/dbraw/zinc/56/81/85/552568185.db2.gz JVDAOYWXPIQZNT-KCWXNJEJSA-N 0 0 535.637 5.369 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000006196549 552568726 /nfs/dbraw/zinc/56/87/26/552568726.db2.gz ODCLKEVXVSAWGQ-PIIWDFAUSA-N 0 0 521.610 5.036 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197128 552569348 /nfs/dbraw/zinc/56/93/48/552569348.db2.gz VTHXOXAHYDQKSD-MMTVBGGISA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197137 552569368 /nfs/dbraw/zinc/56/93/68/552569368.db2.gz VTHXOXAHYDQKSD-NGOKVRLYSA-N 0 0 505.611 5.416 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)c1C#N ZINC000006245734 552574113 /nfs/dbraw/zinc/57/41/13/552574113.db2.gz WGUJJNMXGRKBOV-UHFFFAOYSA-N 0 0 553.772 8.190 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCCS(=O)(=O)c1nc2ccccc2s1 ZINC000006304052 552580633 /nfs/dbraw/zinc/58/06/33/552580633.db2.gz LNYVGCQEQWBNGY-UHFFFAOYSA-N 0 0 592.565 7.225 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(OC)cc3OC)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000006378754 552582182 /nfs/dbraw/zinc/58/21/82/552582182.db2.gz QPVQOAVIJZRSLY-UHFFFAOYSA-N 0 0 590.605 5.805 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(C)c2)cc1OC ZINC000006442970 552585388 /nfs/dbraw/zinc/58/53/88/552585388.db2.gz HPLHMIOACZLFIC-YUDQIZAISA-N 0 0 515.650 6.250 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccccc3C)c2C#N)cc1OC ZINC000006444096 552586537 /nfs/dbraw/zinc/58/65/37/552586537.db2.gz MXYONBDVDDILHX-HXUWFJFHSA-N 0 0 509.631 6.732 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006459977 552590249 /nfs/dbraw/zinc/59/02/49/552590249.db2.gz TYNYMHSRRVTGBZ-CHJDUVSTSA-N 0 0 553.615 5.921 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C(=O)OC)cc3)S2)cc1 ZINC000006472053 552591797 /nfs/dbraw/zinc/59/17/97/552591797.db2.gz PNNCLGIMTBDOTF-JIDDHEAESA-N 0 0 511.644 5.413 50 30 KKEARN CCCCCCOc1ccc(/C(CCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N/O)cc1 ZINC000006471953 552591807 /nfs/dbraw/zinc/59/18/07/552591807.db2.gz FGPLZFKYAPGZHY-QTDLIUEZSA-N 0 0 510.719 8.612 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21OC(C)=O ZINC000008214783 552984870 /nfs/dbraw/zinc/98/48/70/552984870.db2.gz PHEDXBVPIONUQT-RGYGYFBISA-N 0 0 616.836 5.753 50 30 biogenic,in-vitro KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000008383738 552987394 /nfs/dbraw/zinc/98/73/94/552987394.db2.gz CJCDTGJIXYSXPQ-CHJDUVSTSA-N 0 0 554.643 5.103 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000008383735 552987405 /nfs/dbraw/zinc/98/74/05/552987405.db2.gz CJCDTGJIXYSXPQ-RCRUUEGKSA-N 0 0 554.643 5.103 50 30 KKEARN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000008383823 552987730 /nfs/dbraw/zinc/98/77/30/552987730.db2.gz ALKCLIPUFSFGOU-ZHGFHMGHSA-N 0 0 631.150 5.414 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008383951 552988023 /nfs/dbraw/zinc/98/80/23/552988023.db2.gz HBHRQFDPBXGXSK-DHRITJCHSA-N 0 0 585.465 7.454 50 30 KKEARN Fc1cccc(Cl)c1COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000008384755 552989878 /nfs/dbraw/zinc/98/98/78/552989878.db2.gz YBJSGXMTKKDZAG-IPBVOBEMSA-N 0 0 506.817 7.934 50 30 KKEARN Fc1ccc(Nc2nc(N=NCc3ccccc3OCc3ccc(Cl)cc3Cl)nc(N3CCCCC3)n2)cc1 ZINC000008384905 552990244 /nfs/dbraw/zinc/99/02/44/552990244.db2.gz NXJLLDBPMYOZSM-VTNSRFBWSA-N 0 0 566.468 7.076 50 30 KKEARN Fc1ccc(Nc2nc(N=NCc3ccccc3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1 ZINC000008384942 552990274 /nfs/dbraw/zinc/99/02/74/552990274.db2.gz BWEJDPIWQJSHFU-WCMJOSRZSA-N 0 0 568.440 5.923 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@@H](CC(=O)Nc4ccc(I)cc4)C(=O)N3CC)ccc21 ZINC000008385187 552990593 /nfs/dbraw/zinc/99/05/93/552990593.db2.gz YTJGAEUXBJVUAX-ZSUDGOGXSA-N 0 0 596.494 6.399 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000008387066 552993242 /nfs/dbraw/zinc/99/32/42/552993242.db2.gz IHQULNHGTVRNFF-UHFFFAOYSA-N 0 0 546.458 6.111 50 30 KKEARN CCN1C(=O)/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000008396065 552994592 /nfs/dbraw/zinc/99/45/92/552994592.db2.gz OTHJQJGSMIMYHB-MFKUBSTISA-N 0 0 525.033 5.778 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000008396264 552995069 /nfs/dbraw/zinc/99/50/69/552995069.db2.gz ORDVUMGWGPOALP-QRVIBDJDSA-N 0 0 588.896 7.087 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000008396248 552995096 /nfs/dbraw/zinc/99/50/96/552995096.db2.gz RLONFKJCRHWUAX-XYGWBWBKSA-N 0 0 582.049 6.318 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O ZINC000008396237 552995098 /nfs/dbraw/zinc/99/50/98/552995098.db2.gz NYRUARPSWJMWGH-JLPGSUDCSA-N 0 0 534.033 6.089 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=NCC)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000008396353 552995302 /nfs/dbraw/zinc/99/53/02/552995302.db2.gz BAHUYOQKZKOYIA-JOCHJYFZSA-N 0 0 522.498 6.615 50 30 KKEARN Nc1nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000008397696 552997365 /nfs/dbraw/zinc/99/73/65/552997365.db2.gz XZNQZBAZHBPEEQ-UHFFFAOYSA-N 0 0 792.209 7.689 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(=O)OC)C1 ZINC000008397946 552997981 /nfs/dbraw/zinc/99/79/81/552997981.db2.gz IWQMIXJRUSSOHP-VIFPVBQESA-N 0 0 709.487 8.727 50 30 KKEARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000008398250 552998450 /nfs/dbraw/zinc/99/84/50/552998450.db2.gz MMKPBHYDMMSDLH-AASYHSMQSA-N 0 0 508.855 6.032 50 30 KKEARN Clc1ccccc1/C=N/c1ccc2c(c1)C(c1ccccc1)=Nc1ccc(/N=C/c3ccccc3Cl)cc1C(c1ccccc1)=N2 ZINC000008398588 552999403 /nfs/dbraw/zinc/99/94/03/552999403.db2.gz KMWXTNOAYMLPEX-BVXIXYSTSA-N 0 0 633.582 11.146 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008398959 553000085 /nfs/dbraw/zinc/00/00/85/553000085.db2.gz IUMUMPGNKFQTDX-MHZLTWQESA-N 0 0 536.459 7.851 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\N=C\c3ccccc3O)N\2c2ccccc2)cc1 ZINC000008399207 553000584 /nfs/dbraw/zinc/00/05/84/553000584.db2.gz XZOJZFHJDSKDAC-CXHLGXNYSA-N 0 0 535.629 6.813 50 30 KKEARN C/C(=N\N=C1/SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)c1cc2ccccc2oc1=O ZINC000008399204 553000608 /nfs/dbraw/zinc/00/06/08/553000608.db2.gz NYIYPUGUSQLJGS-RMSDXAACSA-N 0 0 541.636 7.587 50 30 KKEARN Cc1ccc(NC(=N[C@@H](Cc2ccccc2)c2ccccc2)C(=N[C@@H](Cc2ccccc2)c2ccccc2)Nc2ccc(C)cc2)cc1 ZINC000008399430 553001396 /nfs/dbraw/zinc/00/13/96/553001396.db2.gz LQOYLLXAGBJJLN-COCZKOEFSA-N 0 0 626.848 10.211 50 30 KKEARN COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\C(=O)c1ccccc1 ZINC000008400321 553004232 /nfs/dbraw/zinc/00/42/32/553004232.db2.gz SVOXSJYUAAEDCR-URGXXBAYSA-N 0 0 504.564 5.038 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCCCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000008400573 553004956 /nfs/dbraw/zinc/00/49/56/553004956.db2.gz QEGOPVMEOWNOJB-PFFBAXFSSA-N 0 0 526.662 6.607 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000008400735 553005383 /nfs/dbraw/zinc/00/53/83/553005383.db2.gz LPOFAPYZMJLBNR-ITYLOYPMSA-N 0 0 559.659 6.564 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000008400739 553005414 /nfs/dbraw/zinc/00/54/14/553005414.db2.gz DQOFVGSRYAADPI-ONUIUJJFSA-N 0 0 624.586 8.040 50 30 KKEARN COc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc54)C(=O)[C@H]23)c1 ZINC000008406289 553007224 /nfs/dbraw/zinc/00/72/24/553007224.db2.gz PGSPKWPDQBXCGQ-PRFPDIJGSA-N 0 0 534.615 6.802 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000008407164 553007670 /nfs/dbraw/zinc/00/76/70/553007670.db2.gz LXTQLWRZXGHLNT-FCVOFCDTSA-N 0 0 800.469 5.633 50 30 KKEARN CCOc1cc(/C=N/NC(=S)NCc2ccccc2)cc(Cl)c1OCCOc1cccc(OC)c1 ZINC000008407626 553008873 /nfs/dbraw/zinc/00/88/73/553008873.db2.gz VZRZIQODFPZGCT-RDRPBHBLSA-N 0 0 514.047 5.203 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCCCCCCCC)cc3)c2)cc1 ZINC000008407833 553009124 /nfs/dbraw/zinc/00/91/24/553009124.db2.gz NUOTZDDOECPUGG-UHFFFAOYSA-N 0 0 572.790 9.670 50 30 KKEARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2cc(OC)c(OC)c(OC)c2)c1C#N ZINC000008412182 553009989 /nfs/dbraw/zinc/00/99/89/553009989.db2.gz WPSMGYJKWDHEON-UHFFFAOYSA-N 0 0 541.629 6.052 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000008413421 553010123 /nfs/dbraw/zinc/01/01/23/553010123.db2.gz QXRBJAWBGQOLFF-HSZRJFAPSA-N 0 0 526.431 5.104 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 ZINC000008413240 553010135 /nfs/dbraw/zinc/01/01/35/553010135.db2.gz DIZJJGHBOJZVGJ-IBGZPJMESA-N 0 0 507.215 5.758 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000008413645 553010394 /nfs/dbraw/zinc/01/03/94/553010394.db2.gz CPTKTPWKKBOQSS-NDEPHWFRSA-N 0 0 581.625 5.941 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000008415263 553010905 /nfs/dbraw/zinc/01/09/05/553010905.db2.gz PYNGVKRIYXEXBQ-PMERELPUSA-N 0 0 558.625 6.795 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1Cl ZINC000008415829 553011393 /nfs/dbraw/zinc/01/13/93/553011393.db2.gz DWYWRKDKKQSIKV-QTLGCAHFSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000008415926 553011552 /nfs/dbraw/zinc/01/15/52/553011552.db2.gz FKXFAIVAZFLUCC-USOMCTOXSA-N 0 0 560.691 5.255 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000008416198 553012059 /nfs/dbraw/zinc/01/20/59/553012059.db2.gz XPOFCAYEHKVUCN-NQHRYMMQSA-N 0 0 568.464 5.172 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Oc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008417823 553013000 /nfs/dbraw/zinc/01/30/00/553013000.db2.gz MKZAKIWKHXCGPR-KVQDIILNSA-N 0 0 656.840 5.265 50 30 KKEARN COc1ccc(CCN=C(Nc2ccc(F)cc2)S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000008425066 553014651 /nfs/dbraw/zinc/01/46/51/553014651.db2.gz GMPBMVQBGOGQNB-DEOSSOPVSA-N 0 0 542.032 5.381 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](C(=O)OCC)[C@H](OC(=O)CCCCCCCCCCC)c1ccccc1 ZINC000008425405 553015420 /nfs/dbraw/zinc/01/54/20/553015420.db2.gz OKUWXYARPJNDGU-SZAHLOSFSA-N 0 0 573.859 9.161 50 30 KKEARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=c3sc4n(c3=O)[C@H](c3c(OC)ccc5ccccc53)C(C(C)=O)=C(C)N=4)c1C)CCCC2 ZINC000008425797 553016526 /nfs/dbraw/zinc/01/65/26/553016526.db2.gz BYSXWVJIVSUMBX-MNFJDVIQSA-N 0 0 679.864 6.511 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000008426217 553017978 /nfs/dbraw/zinc/01/79/78/553017978.db2.gz JUDWGFOXGOUTPJ-VSGBNLITSA-N 0 0 840.834 8.563 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426286 553018156 /nfs/dbraw/zinc/01/81/56/553018156.db2.gz WWACXUWSHFCXGU-XWXNCDGJSA-N 0 0 642.634 8.668 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1 ZINC000008426511 553018510 /nfs/dbraw/zinc/01/85/10/553018510.db2.gz UXQHGUPWCKBVAY-LJAQVGFWSA-N 0 0 555.725 7.240 50 30 KKEARN CCCCCCCCCCCC(=O)Oc1ccc(-c2cccc(-c3ccc(OC(=O)CCCCCCCCCCC)cc3)n2)cc1 ZINC000008427008 553019403 /nfs/dbraw/zinc/01/94/03/553019403.db2.gz DHAOPUYHSLMHMH-UHFFFAOYSA-N 0 0 627.910 12.068 50 30 biogenic KKEARN N#CC1(C#N)[C@H]2C=Cc3c4ccccc4ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000008427348 553019884 /nfs/dbraw/zinc/01/98/84/553019884.db2.gz DXOIRIYWPYLOSL-NLDZOOGBSA-N 0 0 530.425 6.887 50 30 KKEARN Cc1nn(-c2ccccc2)c(/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1-c1cccc(Br)c1 ZINC000008427624 553020329 /nfs/dbraw/zinc/02/03/29/553020329.db2.gz BFOQODZTWMDBBL-HNSNBQBZSA-N 0 0 615.325 8.343 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc(OC)c1OC ZINC000008430589 553021786 /nfs/dbraw/zinc/02/17/86/553021786.db2.gz UPGIOCQSHQIWEA-WRHNGFHOSA-N 0 0 502.636 6.414 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008430608 553021990 /nfs/dbraw/zinc/02/19/90/553021990.db2.gz SZNPKIRRXIOMHB-XDBZFTIUSA-N 0 0 509.433 7.380 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccc(Br)cc1 ZINC000008430950 553022120 /nfs/dbraw/zinc/02/21/20/553022120.db2.gz XKHPDMCEKBFEMC-SANMLTNESA-N 0 0 519.414 7.045 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccc(Br)cc1 ZINC000008430952 553022209 /nfs/dbraw/zinc/02/22/09/553022209.db2.gz XKHPDMCEKBFEMC-AREMUKBSSA-N 0 0 519.414 7.045 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000008430984 553022230 /nfs/dbraw/zinc/02/22/30/553022230.db2.gz BOUQXYPUWFZXJH-PMERELPUSA-N 0 0 572.547 7.752 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008431092 553022362 /nfs/dbraw/zinc/02/23/62/553022362.db2.gz GNUAFQNRAAFJAY-KQUDBFAKSA-N 0 0 790.763 9.903 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008432421 553026036 /nfs/dbraw/zinc/02/60/36/553026036.db2.gz RSEZBMBZLDGGCL-PVAZPRTOSA-N 0 0 592.658 8.204 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000008432381 553026091 /nfs/dbraw/zinc/02/60/91/553026091.db2.gz WOLIUWGJOWOLEZ-BKUYFWCQSA-N 0 0 529.843 6.582 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)nc2scc(-c3ccccc3)c2c1=O ZINC000008432467 553026182 /nfs/dbraw/zinc/02/61/82/553026182.db2.gz LVTATXQALQQYTA-UHFFFAOYSA-N 0 0 617.774 6.956 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008432436 553026215 /nfs/dbraw/zinc/02/62/15/553026215.db2.gz VWEZLJYQJVUPKD-GRMGDBHTSA-N 0 0 608.666 7.075 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000008432644 553026944 /nfs/dbraw/zinc/02/69/44/553026944.db2.gz ZRGVLRQJCAYPMQ-NDEPHWFRSA-N 0 0 539.890 8.033 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000008432784 553027167 /nfs/dbraw/zinc/02/71/67/553027167.db2.gz YHNFRTMKFSESIF-PIIWDFAUSA-N 0 0 586.576 8.466 50 30 KKEARN CCCCCCCCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000008432948 553027670 /nfs/dbraw/zinc/02/76/70/553027670.db2.gz LMDIFJYQLYTLFD-LVWGJNHUSA-N 0 0 519.773 7.531 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000008433291 553028576 /nfs/dbraw/zinc/02/85/76/553028576.db2.gz PICJHQSPVVXSLA-SSEXGKCCSA-N 0 0 556.659 5.487 50 30 KKEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000008435127 553029765 /nfs/dbraw/zinc/02/97/65/553029765.db2.gz ZQZLNXGTAPVLGA-UHFFFAOYSA-N 0 0 538.832 8.058 50 30 KKEARN COc1ccc(C=CC(=O)[C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@@H]2c2ccccc2)c(Br)c1OC ZINC000008435291 553030128 /nfs/dbraw/zinc/03/01/28/553030128.db2.gz OSUJTIBCMPTRBQ-VVYKPCEXSA-N 0 0 537.366 5.357 50 30 KKEARN COc1cc(/C=C/C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)cc(Br)c1OC ZINC000008435295 553030163 /nfs/dbraw/zinc/03/01/63/553030163.db2.gz XIGRPCPWJXQFCB-FMIVXFBMSA-N 0 0 567.277 7.649 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000008435491 553030579 /nfs/dbraw/zinc/03/05/79/553030579.db2.gz NWINYDQEWWGKPU-VWJSQJICSA-N 0 0 643.264 8.385 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000008438491 553034260 /nfs/dbraw/zinc/03/42/60/553034260.db2.gz XZSJOGKCNUFBHO-KCSSXMTESA-N 0 0 562.049 6.432 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccccc3-c3ccccc3)c2C#N)cc1 ZINC000008439965 553036271 /nfs/dbraw/zinc/03/62/71/553036271.db2.gz YFMHIGYBMCRDNY-UHFFFAOYSA-N 0 0 541.676 8.002 50 30 KKEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008440204 553036906 /nfs/dbraw/zinc/03/69/06/553036906.db2.gz XCLJLAKIWYGNLN-JPZYQRIQSA-N 0 0 536.031 6.995 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1 ZINC000008440259 553036962 /nfs/dbraw/zinc/03/69/62/553036962.db2.gz ZUIMNYSBHCXTHU-MUUNZHRXSA-N 0 0 544.051 6.238 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000008440511 553037709 /nfs/dbraw/zinc/03/77/09/553037709.db2.gz ANWCJBLXEARRES-LJAQVGFWSA-N 0 0 633.499 6.255 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000008440444 553037717 /nfs/dbraw/zinc/03/77/17/553037717.db2.gz BYCIUHPFWULOPR-FNRVZINGSA-N 0 0 656.661 9.058 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2C#N)cc1 ZINC000008441111 553039463 /nfs/dbraw/zinc/03/94/63/553039463.db2.gz OYYNJPDTNZJBCF-UHFFFAOYSA-N 0 0 503.549 7.345 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441077 553039509 /nfs/dbraw/zinc/03/95/09/553039509.db2.gz ORGNVLGYHNNCQD-JOCHJYFZSA-N 0 0 519.420 6.404 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2C#N)cc1OC ZINC000008441089 553039564 /nfs/dbraw/zinc/03/95/64/553039564.db2.gz ZCJIIYVZXMQEFH-UHFFFAOYSA-N 0 0 523.658 6.961 50 30 KKEARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 ZINC000008441192 553039756 /nfs/dbraw/zinc/03/97/56/553039756.db2.gz NVWWLZAQDDNKHS-UHFFFAOYSA-N 0 0 537.685 7.333 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008441287 553040427 /nfs/dbraw/zinc/04/04/27/553040427.db2.gz VPUGUBAKOJFZFB-NDEPHWFRSA-N 0 0 543.620 5.876 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000008441307 553040447 /nfs/dbraw/zinc/04/04/47/553040447.db2.gz JHXDIBVHHAMGBL-UHFFFAOYSA-N 0 0 503.549 7.345 50 30 KKEARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008441406 553040693 /nfs/dbraw/zinc/04/06/93/553040693.db2.gz JIOQEADBASOIHM-UHFFFAOYSA-N 0 0 590.126 7.421 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cc(C)cc(C)c3)c2C#N)cc1OC ZINC000008441447 553040696 /nfs/dbraw/zinc/04/06/96/553040696.db2.gz PFKSKYYTMCOJIM-UHFFFAOYSA-N 0 0 523.658 6.961 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)N3CCCc4ccccc43)c2C#N)cc1 ZINC000008441456 553040889 /nfs/dbraw/zinc/04/08/89/553040889.db2.gz KWHAQVZKKDEVQT-UHFFFAOYSA-N 0 0 505.643 6.676 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C ZINC000008441490 553040964 /nfs/dbraw/zinc/04/09/64/553040964.db2.gz YJPKKOIEKGFSNF-AMAALNMCSA-N 0 0 535.637 5.201 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000008441540 553041160 /nfs/dbraw/zinc/04/11/60/553041160.db2.gz MKWLIXCHQVOOJD-HHHXNRCGSA-N 0 0 533.577 5.407 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000008441675 553041413 /nfs/dbraw/zinc/04/14/13/553041413.db2.gz XICGWVPCPYKOII-HKBQPEDESA-N 0 0 602.668 7.721 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000008441670 553041443 /nfs/dbraw/zinc/04/14/43/553041443.db2.gz DEPFHUNJJWREGN-GDLZYMKVSA-N 0 0 582.678 7.567 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008441668 553041459 /nfs/dbraw/zinc/04/14/59/553041459.db2.gz MIEPYFPNYLZJMZ-SANMLTNESA-N 0 0 524.598 6.923 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008441680 553041479 /nfs/dbraw/zinc/04/14/79/553041479.db2.gz DGRZIWPPEZJVEX-DEOSSOPVSA-N 0 0 514.990 7.096 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000008441686 553041512 /nfs/dbraw/zinc/04/15/12/553041512.db2.gz PZCQYAYBDQVSLM-DEOSSOPVSA-N 0 0 559.441 7.205 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000008441732 553041815 /nfs/dbraw/zinc/04/18/15/553041815.db2.gz LJKQUKLBNLEFDN-MHZLTWQESA-N 0 0 552.608 6.789 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000008441713 553041867 /nfs/dbraw/zinc/04/18/67/553041867.db2.gz PZMXBACWMQICOX-HKBQPEDESA-N 0 0 586.669 8.021 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000008441748 553042129 /nfs/dbraw/zinc/04/21/29/553042129.db2.gz IRDUCSUWKMQLTD-SANMLTNESA-N 0 0 538.482 6.422 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000008441821 553042460 /nfs/dbraw/zinc/04/24/60/553042460.db2.gz OJHNFDYHVJDJHO-VWLOTQADSA-N 0 0 510.428 5.786 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1C ZINC000008442946 553044755 /nfs/dbraw/zinc/04/47/55/553044755.db2.gz POTIXKPOTCAOFF-PKMPKLLRSA-N 0 0 527.580 6.165 50 30 KKEARN C/C(=N\Nc1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1)c1ccccc1 ZINC000008443165 553045601 /nfs/dbraw/zinc/04/56/01/553045601.db2.gz FYXBMBPYXJVDTR-BHGWPJFGSA-N 0 0 519.218 6.278 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc(N3CCC(C)CC3)n2)c1C ZINC000008443311 553046020 /nfs/dbraw/zinc/04/60/20/553046020.db2.gz VXWUKKFTCSYMJY-FABQOPTDSA-N 0 0 590.559 7.800 50 30 KKEARN COc1ccc(CCN=C(Nc2ccccc2)S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000008443414 553046387 /nfs/dbraw/zinc/04/63/87/553046387.db2.gz RYBMUGQHSWXDQW-HSZRJFAPSA-N 0 0 538.467 5.343 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccccc3)N4)sc2C1 ZINC000008443636 553047325 /nfs/dbraw/zinc/04/73/25/553047325.db2.gz GMIFYSKWKPIXRO-NBCNXNJRSA-N 0 0 527.616 6.880 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008444072 553048989 /nfs/dbraw/zinc/04/89/89/553048989.db2.gz UCJLBPVQURQKIB-PBUKZNKTSA-N 0 0 554.687 7.193 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444065 553048991 /nfs/dbraw/zinc/04/89/91/553048991.db2.gz VDEXYJKJBSNKFV-OGVWKLGRSA-N 0 0 531.656 7.340 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2F)cc1 ZINC000008444277 553049768 /nfs/dbraw/zinc/04/97/68/553049768.db2.gz ZZFDIIOKYITCBC-WJOKGBTCSA-N 0 0 526.652 7.852 50 30 KKEARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCC2 ZINC000008444351 553050189 /nfs/dbraw/zinc/05/01/89/553050189.db2.gz NTPDCPNXHVOJTM-PTHHNIJRSA-N 0 0 520.957 8.181 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000008444429 553050346 /nfs/dbraw/zinc/05/03/46/553050346.db2.gz MRSGGROIUGJYID-URNDWHGUSA-N 0 0 535.732 8.014 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000008444545 553050768 /nfs/dbraw/zinc/05/07/68/553050768.db2.gz LHVCUCBFYKJEEH-SLGOVJDISA-N 0 0 508.637 7.434 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@@H](c1ccc(Br)s1)C[C@H]3C(F)(F)F)CCCC2 ZINC000008444595 553050865 /nfs/dbraw/zinc/05/08/65/553050865.db2.gz SCJOHOPCOIZNDW-RISCZKNCSA-N 0 0 635.329 7.194 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000008444628 553051023 /nfs/dbraw/zinc/05/10/23/553051023.db2.gz ZOWIBBNFKFROCO-MUUNZHRXSA-N 0 0 500.639 5.998 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1)C(F)(F)F ZINC000008445057 553052937 /nfs/dbraw/zinc/05/29/37/553052937.db2.gz ALUUFLRYCQOAEX-QNLPTKCRSA-N 0 0 568.595 7.729 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008445099 553053166 /nfs/dbraw/zinc/05/31/66/553053166.db2.gz WNQZKLOIWQPZNA-GPNASLBKSA-N 0 0 545.595 6.818 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCCC)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008445117 553053173 /nfs/dbraw/zinc/05/31/73/553053173.db2.gz PVFPRHNXQAMJFF-FEERPNRMSA-N 0 0 552.715 7.965 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008445098 553053189 /nfs/dbraw/zinc/05/31/89/553053189.db2.gz WNQZKLOIWQPZNA-BNHRFMORSA-N 0 0 545.595 6.818 50 30 KKEARN O=C(/C=C/O/C=C/C(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000008445443 553054478 /nfs/dbraw/zinc/05/44/78/553054478.db2.gz OXIFIUZKKPMYDQ-WGDLNXRISA-N 0 0 530.099 5.005 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1 ZINC000008445770 553054883 /nfs/dbraw/zinc/05/48/83/553054883.db2.gz GDTRMIUBZKDYNE-UHFFFAOYSA-N 0 0 500.023 6.358 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2OC)c1C#N ZINC000008445776 553054890 /nfs/dbraw/zinc/05/48/90/553054890.db2.gz NYOSLSGXEYANCL-UHFFFAOYSA-N 0 0 507.659 7.206 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@H]1CCCC[C@H]1[S@](=O)Cc1ccccc1 ZINC000008448615 553056247 /nfs/dbraw/zinc/05/62/47/553056247.db2.gz LWFZMPQZNNSCAO-HVQNCXPNSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O ZINC000008448981 553056802 /nfs/dbraw/zinc/05/68/02/553056802.db2.gz AXEHNDVMCFTXMV-UHFFFAOYSA-N 0 0 505.699 8.352 50 30 KKEARN CCCCCCCC(=O)Oc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000008449326 553056973 /nfs/dbraw/zinc/05/69/73/553056973.db2.gz SHRPMQMLCBTHQF-UHFFFAOYSA-N 0 0 503.209 7.367 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449346 553057001 /nfs/dbraw/zinc/05/70/01/553057001.db2.gz ZDAYPYLBUQYHSO-YMBWLEMYSA-N 0 0 543.748 7.513 50 30 KKEARN CCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000008449002 553057014 /nfs/dbraw/zinc/05/70/14/553057014.db2.gz WTHWNLRGYODTRQ-CYBMUJFWSA-N 0 0 794.170 10.249 50 30 KKEARN CCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008449566 553057329 /nfs/dbraw/zinc/05/73/29/553057329.db2.gz FKNUCDQOYWOGAT-WPSKXCBGSA-N 0 0 665.422 7.614 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1ccc(F)c(Cl)c1 ZINC000008450303 553057983 /nfs/dbraw/zinc/05/79/83/553057983.db2.gz UWVNKZXFHXWSOB-XDCSYDRFSA-N 0 0 638.139 7.770 50 30 KKEARN COc1cc(OC)c([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000008450312 553058016 /nfs/dbraw/zinc/05/80/16/553058016.db2.gz 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/nfs/dbraw/zinc/05/95/22/553059522.db2.gz ZQFLMJNTMHUAJG-UVDDSOTQSA-N 0 0 544.051 7.729 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000008451154 553060402 /nfs/dbraw/zinc/06/04/02/553060402.db2.gz RBTBRXGGPKPQBU-UHFFFAOYSA-N 0 0 528.581 6.190 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000008451378 553061036 /nfs/dbraw/zinc/06/10/36/553061036.db2.gz OVOZXAKRGUUOGY-KBVAKVRCSA-N 0 0 549.510 6.136 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(OCc4ccc(C#N)cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000008451471 553061077 /nfs/dbraw/zinc/06/10/77/553061077.db2.gz STPCQPKYDBNIAD-JREUYWDSSA-N 0 0 748.699 7.281 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452352 553063521 /nfs/dbraw/zinc/06/35/21/553063521.db2.gz OUKAQTQCSSQVPS-YQMVTHACSA-N 0 0 520.582 5.824 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000008452353 553063535 /nfs/dbraw/zinc/06/35/35/553063535.db2.gz VNMCZMBYAKBILZ-BKMCGOQMSA-N 0 0 534.609 6.214 50 30 KKEARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)ccc1OCc1ccccc1C#N ZINC000008452689 553064201 /nfs/dbraw/zinc/06/42/01/553064201.db2.gz CEAFYAOTGKQPNE-ZEJXFREPSA-N 0 0 630.169 6.821 50 30 KKEARN Cc1c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000008453577 553066545 /nfs/dbraw/zinc/06/65/45/553066545.db2.gz KJMTWMBMXXIHRX-UPZMMJCBSA-N 0 0 509.650 7.684 50 30 KKEARN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(Oc3nccc(Nc4ccccc4)c3C#N)cc21 ZINC000008453877 553067174 /nfs/dbraw/zinc/06/71/74/553067174.db2.gz FKXFPOJPGBCYLA-UHFFFAOYSA-N 0 0 502.574 7.227 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000008454631 553069370 /nfs/dbraw/zinc/06/93/70/553069370.db2.gz RBVUIWVCLSYSBF-ALPUVDPNSA-N 0 0 544.642 7.589 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000008454694 553069510 /nfs/dbraw/zinc/06/95/10/553069510.db2.gz AYBWPKYDULKECL-JBUIFGMTSA-N 0 0 580.622 7.867 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1ccc(F)cc1 ZINC000008454700 553069518 /nfs/dbraw/zinc/06/95/18/553069518.db2.gz ACZOJDSSONXVNU-PYYBREODSA-N 0 0 526.652 7.450 50 30 KKEARN Cc1ccc(C)c(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(N)=O)c1 ZINC000008454788 553069855 /nfs/dbraw/zinc/06/98/55/553069855.db2.gz NUOBMFJIGDEODA-UHFFFAOYSA-N 0 0 674.401 7.782 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008455852 553074004 /nfs/dbraw/zinc/07/40/04/553074004.db2.gz XLYNOCUQHCNVHY-BJOOFOGMSA-N 0 0 519.980 6.507 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N3)CCCC2 ZINC000008455847 553074028 /nfs/dbraw/zinc/07/40/28/553074028.db2.gz QVDFWTFBSCISHF-APWZRJJASA-N 0 0 550.404 6.370 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3ccc(Br)cc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008455900 553074352 /nfs/dbraw/zinc/07/43/52/553074352.db2.gz ZDLQNFCZVZXXHR-BOUXLOLZSA-N 0 0 640.957 8.296 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000008456522 553074724 /nfs/dbraw/zinc/07/47/24/553074724.db2.gz OEPZZARIWJQQPW-XMMPIXPASA-N 0 0 559.382 7.414 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000008456885 553075000 /nfs/dbraw/zinc/07/50/00/553075000.db2.gz HBAKNJKEHIOPEY-LJAQVGFWSA-N 0 0 506.577 6.795 50 30 KKEARN O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008457174 553075189 /nfs/dbraw/zinc/07/51/89/553075189.db2.gz XPKOGLDJNXLMMD-UHFFFAOYSA-N 0 0 635.299 5.956 50 30 KKEARN Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1Cl ZINC000008461806 553075203 /nfs/dbraw/zinc/07/52/03/553075203.db2.gz RXZRAHGIQPQCQU-UHFFFAOYSA-N 0 0 630.012 8.288 50 30 KKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000008496266 553077301 /nfs/dbraw/zinc/07/73/01/553077301.db2.gz DVWZOXQFHYLVLO-BARHPXBQSA-N 0 0 534.681 7.255 50 30 KKEARN COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)cc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000008576245 553078060 /nfs/dbraw/zinc/07/80/60/553078060.db2.gz ZMGPGDWUDXSHQJ-UHFFFAOYSA-N 0 0 573.599 5.211 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)CS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008589850 553081534 /nfs/dbraw/zinc/08/15/34/553081534.db2.gz ZRFAGGLFSOCOMY-RUZDIDTESA-N 0 0 514.672 5.664 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000008589845 553081541 /nfs/dbraw/zinc/08/15/41/553081541.db2.gz KJHDOYOKYPSPNN-DEOSSOPVSA-N 0 0 535.090 6.009 50 30 KKEARN C=CCn1c(SCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)nnc1-c1ccccc1 ZINC000008636614 553105139 /nfs/dbraw/zinc/10/51/39/553105139.db2.gz JIYSRNMLYANOMI-UHFFFAOYSA-N 0 0 559.120 6.633 50 30 KKEARN O=C1O[C@@H](C/C(=N/N=C(/C[C@@H]2OC(=O)c3ccccc32)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000008648174 553106743 /nfs/dbraw/zinc/10/67/43/553106743.db2.gz UNXIQXFQZXIADY-QTOHMTTMSA-N 0 0 590.548 6.300 50 30 KKEARN O=C1O[C@H](C/C(=N/N=C(/C[C@@H]2OC(=O)c3ccccc32)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000008648175 553106846 /nfs/dbraw/zinc/10/68/46/553106846.db2.gz UNXIQXFQZXIADY-TZSNOCOOSA-N 0 0 590.548 6.300 50 30 KKEARN Cc1cccc(Cl)c1NC(=O)[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000008648818 553107348 /nfs/dbraw/zinc/10/73/48/553107348.db2.gz XAKNRMMTMHPJOD-QHCPKHFHSA-N 0 0 544.023 8.135 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 ZINC000008690137 553117042 /nfs/dbraw/zinc/11/70/42/553117042.db2.gz FEOMOTCCLVKPQZ-ZYVHIHPKSA-N 0 0 513.557 6.123 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1ccco1 ZINC000008694741 553120383 /nfs/dbraw/zinc/12/03/83/553120383.db2.gz FZRJWISJYHFNBW-RDRPBHBLSA-N 0 0 521.537 5.626 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(C)=O ZINC000008695582 553122156 /nfs/dbraw/zinc/12/21/56/553122156.db2.gz BWKVHCZHZKCQPZ-DYOQGSCQSA-N 0 0 540.660 6.802 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000008695601 553122417 /nfs/dbraw/zinc/12/24/17/553122417.db2.gz JIOPGTXJOJRDLA-DWXRJYCRSA-N 0 0 510.943 7.111 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)c(C(=O)Nc4ccccc4C#N)sc3n2)cc1 ZINC000008742096 553133058 /nfs/dbraw/zinc/13/30/58/553133058.db2.gz ZKXYZMHJMSLILT-UHFFFAOYSA-N 0 0 506.587 6.354 50 30 KKEARN Cc1ccc(N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008754554 553135901 /nfs/dbraw/zinc/13/59/01/553135901.db2.gz MFWUQUYGEJYVAD-DEOSSOPVSA-N 0 0 512.631 5.309 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)Nc3ccc(Cl)c(Cl)c3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000008758563 553137033 /nfs/dbraw/zinc/13/70/33/553137033.db2.gz VPJNLYAGRSPTLG-UHFFFAOYSA-N 0 0 526.428 5.722 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008766792 553139186 /nfs/dbraw/zinc/13/91/86/553139186.db2.gz FPEQESNVIKODGI-ACSYHNTCSA-N 0 0 520.551 7.025 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCCc1ccc(O)cc1 ZINC000008789905 553146106 /nfs/dbraw/zinc/14/61/06/553146106.db2.gz HYPGZTAORBPAHX-SCOJNZJKSA-N 0 0 507.671 5.275 50 30 biogenic KKEARN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816756 553152091 /nfs/dbraw/zinc/15/20/91/553152091.db2.gz UMNFBHAMYHPTFO-OAQYLSRUSA-N 0 0 506.605 5.775 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1C ZINC000008827730 553157017 /nfs/dbraw/zinc/15/70/17/553157017.db2.gz FIAGTFMLYRGFCU-DEOSSOPVSA-N 0 0 502.567 6.152 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008837210 553163808 /nfs/dbraw/zinc/16/38/08/553163808.db2.gz JGAKBAHFZIOUST-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008837908 553164732 /nfs/dbraw/zinc/16/47/32/553164732.db2.gz VAXIMGQSQCMREK-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000008846352 553166140 /nfs/dbraw/zinc/16/61/40/553166140.db2.gz SGFYSGLIADLYHD-JQJBXXCASA-N 0 0 521.705 7.860 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccs1 ZINC000008846357 553166165 /nfs/dbraw/zinc/16/61/65/553166165.db2.gz KOSGRGSZYAPMSN-JPQMRUPTSA-N 0 0 526.746 8.527 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008859674 553169921 /nfs/dbraw/zinc/16/99/21/553169921.db2.gz OTOYMTUVLKVGOQ-DEOSSOPVSA-N 0 0 509.990 5.003 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2ccc(Cl)cc2Cl)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000008872081 553172193 /nfs/dbraw/zinc/17/21/93/553172193.db2.gz BLHNJKRTYDZXMC-CPDSRJINSA-N 0 0 533.341 7.035 50 30 KKEARN CC(C)Oc1ccc(Br)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 ZINC000008872124 553172195 /nfs/dbraw/zinc/17/21/95/553172195.db2.gz SEPHKWJDBHVCSO-JFLMPSFJSA-N 0 0 528.430 5.740 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872104 553172198 /nfs/dbraw/zinc/17/21/98/553172198.db2.gz VUMSSYQFPRKRNT-MWLSYYOVSA-N 0 0 556.970 6.635 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(COc4ccc(C=O)cc4OC)cc3)c(OC)c2)SC1=S ZINC000008872298 553172935 /nfs/dbraw/zinc/17/29/35/553172935.db2.gz SPZSWEZBDHDVTA-LQKURTRISA-N 0 0 561.681 6.062 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000008872318 553173165 /nfs/dbraw/zinc/17/31/65/553173165.db2.gz HOOZPSVVAQWMNI-VUTHCHCSSA-N 0 0 538.568 5.179 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)c1ccccc1I ZINC000008872392 553173343 /nfs/dbraw/zinc/17/33/43/553173343.db2.gz WRTYTSNDDSOZJI-ZCTHSVRISA-N 0 0 627.446 6.629 50 30 KKEARN CC(N=Nc1nc(Nc2cccc3ccccc32)nc(N2CCOCC2)n1)c1ccc(Br)cc1 ZINC000008872686 553173779 /nfs/dbraw/zinc/17/37/79/553173779.db2.gz KGPRHNHXHQVBBJ-KBVAKVRCSA-N 0 0 518.419 5.204 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(N3CCC(C)CC3)n2)c1C ZINC000008872978 553174577 /nfs/dbraw/zinc/17/45/77/553174577.db2.gz ZVTHMOWFQWEKTK-UVHMKAGCSA-N 0 0 683.336 5.829 50 30 KKEARN COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(NC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000008873008 553174662 /nfs/dbraw/zinc/17/46/62/553174662.db2.gz VDUYRWAICLXECM-CCVNUDIWSA-N 0 0 510.381 6.400 50 30 KKEARN FC(F)(F)c1nnc2c(N3CCC(=NOCc4ccccc4Cl)CC3)nc3ccc(Cl)cc3n21 ZINC000008873771 553174887 /nfs/dbraw/zinc/17/48/87/553174887.db2.gz BGLGXLKKXJLNID-UHFFFAOYSA-N 0 0 509.319 5.776 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008894061 553177512 /nfs/dbraw/zinc/17/75/12/553177512.db2.gz UBEWZONMWZKHEN-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894198 553177532 /nfs/dbraw/zinc/17/75/32/553177532.db2.gz DNOBNBBQCVHVND-SANMLTNESA-N 0 0 512.631 6.774 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894159 553177538 /nfs/dbraw/zinc/17/75/38/553177538.db2.gz XFMSGMNWDGLOQM-RUZDIDTESA-N 0 0 517.050 7.418 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008896600 553178789 /nfs/dbraw/zinc/17/87/89/553178789.db2.gz CSVUHMVZSFLHKW-AREMUKBSSA-N 0 0 526.658 6.948 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000008904087 553183250 /nfs/dbraw/zinc/18/32/50/553183250.db2.gz RRNQBDRFHUXFHU-HSZRJFAPSA-N 0 0 516.575 5.413 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008905340 553183706 /nfs/dbraw/zinc/18/37/06/553183706.db2.gz ZOIOQNRUGJSLKE-JOCHJYFZSA-N 0 0 506.605 5.775 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914184 553185713 /nfs/dbraw/zinc/18/57/13/553185713.db2.gz XCESBQWECVJYBT-RUZDIDTESA-N 0 0 514.603 5.967 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000008916664 553186775 /nfs/dbraw/zinc/18/67/75/553186775.db2.gz FIGNKWDRYFQGOP-JPQMRUPTSA-N 0 0 529.080 7.830 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008919879 553188888 /nfs/dbraw/zinc/18/88/88/553188888.db2.gz LGZNTVXRJLZVIO-HSZRJFAPSA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000008919987 553188959 /nfs/dbraw/zinc/18/89/59/553188959.db2.gz BUBHWMVQZLNFRF-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008934687 553192956 /nfs/dbraw/zinc/19/29/56/553192956.db2.gz SJILFHRKTKJXMW-HHHXNRCGSA-N 0 0 520.670 5.074 50 30 KKEARN CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951265 553193442 /nfs/dbraw/zinc/19/34/42/553193442.db2.gz KLBVCVMYMUURMQ-AMAFCZHPSA-N 0 0 512.488 5.755 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008973999 553195428 /nfs/dbraw/zinc/19/54/28/553195428.db2.gz PJRQZWCKKRWEAL-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008973654 553195462 /nfs/dbraw/zinc/19/54/62/553195462.db2.gz SZAHZAVDZNWCKT-XMMPIXPASA-N 0 0 518.566 5.934 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008973661 553195470 /nfs/dbraw/zinc/19/54/70/553195470.db2.gz QGKBCFKTGJLZLV-XMMPIXPASA-N 0 0 503.023 7.164 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008974086 553195774 /nfs/dbraw/zinc/19/57/74/553195774.db2.gz GYOGLCMTOVCNGK-OAQYLSRUSA-N 0 0 504.589 5.544 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008986511 553196560 /nfs/dbraw/zinc/19/65/60/553196560.db2.gz VKSOLNVBKWPCMW-MHZLTWQESA-N 0 0 511.534 5.776 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000009019056 553200738 /nfs/dbraw/zinc/20/07/38/553200738.db2.gz RXUNLTSUEAOBAP-QFIPXVFZSA-N 0 0 502.405 5.017 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Br)c2)cc1C ZINC000009019885 553201238 /nfs/dbraw/zinc/20/12/38/553201238.db2.gz LQQPXPGJDIBOIZ-QFIPXVFZSA-N 0 0 502.405 5.161 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009019993 553201252 /nfs/dbraw/zinc/20/12/52/553201252.db2.gz XBJAXKCDQQYSNZ-JOCHJYFZSA-N 0 0 502.405 5.161 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2nc3ccccc3o2)cc1 ZINC000009030819 553201587 /nfs/dbraw/zinc/20/15/87/553201587.db2.gz RPDUGVUPFVHCBB-QJOMJCCJSA-N 0 0 518.396 8.607 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009042724 553202638 /nfs/dbraw/zinc/20/26/38/553202638.db2.gz LVYZSLUXMZPBHW-HSZRJFAPSA-N 0 0 504.633 6.663 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009042527 553202667 /nfs/dbraw/zinc/20/26/67/553202667.db2.gz NYRIFOCMIYJKQT-VWLOTQADSA-N 0 0 512.631 6.775 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000009043446 553202882 /nfs/dbraw/zinc/20/28/82/553202882.db2.gz JRSVMWNODKEFHB-MLNTVTBVSA-N 0 0 508.043 6.126 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009043708 553203152 /nfs/dbraw/zinc/20/31/52/553203152.db2.gz ACGHNNZNXWBNSY-NRFANRHFSA-N 0 0 506.580 5.118 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009044576 553203243 /nfs/dbraw/zinc/20/32/43/553203243.db2.gz LBJWOQXZOYMTNO-XMMPIXPASA-N 0 0 518.566 5.852 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009044867 553203313 /nfs/dbraw/zinc/20/33/13/553203313.db2.gz CTAJVXGSPKQGCE-QHCPKHFHSA-N 0 0 504.558 6.655 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000009046621 553204052 /nfs/dbraw/zinc/20/40/52/553204052.db2.gz NWQIHAFITVJCBY-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccccc3)C2)cc1 ZINC000009057788 553204642 /nfs/dbraw/zinc/20/46/42/553204642.db2.gz GPGXBVUAVPIQFJ-UKJJDJLKSA-N 0 0 500.598 6.910 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccccc3)C2)cc1 ZINC000009057634 553204651 /nfs/dbraw/zinc/20/46/51/553204651.db2.gz GPGXBVUAVPIQFJ-ZOYWYXQUSA-N 0 0 500.598 6.910 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009071434 553207035 /nfs/dbraw/zinc/20/70/35/553207035.db2.gz XOQODQCTXPSPKB-QFIPXVFZSA-N 0 0 500.382 5.257 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000009075840 553207468 /nfs/dbraw/zinc/20/74/68/553207468.db2.gz LDODWTDKMVHUDY-FJOMVMCCSA-N 0 0 508.043 6.289 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3cccc(F)c3)S2)cc1 ZINC000009076020 553207673 /nfs/dbraw/zinc/20/76/73/553207673.db2.gz DCPZVKMOCHYCNK-DQHMDIJASA-N 0 0 505.571 5.163 50 30 KKEARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009076343 553207930 /nfs/dbraw/zinc/20/79/30/553207930.db2.gz PCGYAJUJBMINOT-BOCMNYHMSA-N 0 0 501.933 6.258 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124627 553213079 /nfs/dbraw/zinc/21/30/79/553213079.db2.gz IYVQHWRGNQWVKH-XDHUDOTRSA-N 0 0 504.608 5.674 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000009130235 553213223 /nfs/dbraw/zinc/21/32/23/553213223.db2.gz DYIBOCZBSARDDP-XTEPFMGCSA-N 0 0 519.439 7.043 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009178854 553216630 /nfs/dbraw/zinc/21/66/30/553216630.db2.gz GLZZEKFAQPFCEP-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009185693 553217367 /nfs/dbraw/zinc/21/73/67/553217367.db2.gz UCBWVWKBSFADOJ-RUZDIDTESA-N 0 0 514.622 7.078 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009185747 553217470 /nfs/dbraw/zinc/21/74/70/553217470.db2.gz XWKFMIBQEMJAAX-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009186745 553217788 /nfs/dbraw/zinc/21/77/88/553217788.db2.gz UDEMTDICGLMLOO-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccco1)c1ccccc1 ZINC000009187292 553217856 /nfs/dbraw/zinc/21/78/56/553217856.db2.gz CURKAMLTOJTWKL-FFUKGRFASA-N 0 0 517.549 5.438 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)c4ccc(Cl)cc4)nnc3c2CO1 ZINC000009187369 553218043 /nfs/dbraw/zinc/21/80/43/553218043.db2.gz FZGNFZOCXSDRAV-UHFFFAOYSA-N 0 0 504.015 5.824 50 30 KKEARN COC(=O)c1ccc(CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)o1 ZINC000009187836 553218069 /nfs/dbraw/zinc/21/80/69/553218069.db2.gz SSIILFNWPJAHSH-UHFFFAOYSA-N 0 0 503.584 5.176 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009209862 553220496 /nfs/dbraw/zinc/22/04/96/553220496.db2.gz QYXJAZRTZNDPFJ-HSZRJFAPSA-N 0 0 524.415 5.103 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(F)cc3)C4=O)c2c1 ZINC000009210487 553220923 /nfs/dbraw/zinc/22/09/23/553220923.db2.gz FZCHYJOJSOFOMY-DICXZTSXSA-N 0 0 506.485 7.083 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009243708 553226755 /nfs/dbraw/zinc/22/67/55/553226755.db2.gz BYTKEMAZOVDQJD-OSPHWJPCSA-N 0 0 504.608 5.818 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(SC)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000009262529 553228486 /nfs/dbraw/zinc/22/84/86/553228486.db2.gz PONKSDVUPROHHX-UHFFFAOYSA-N 0 0 502.065 5.060 50 30 KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000009262675 553228629 /nfs/dbraw/zinc/22/86/29/553228629.db2.gz FEFOUCSTJLYKTK-MUFRIFMGSA-N 0 0 510.819 6.140 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000009264303 553228800 /nfs/dbraw/zinc/22/88/00/553228800.db2.gz OCEUFAHDPQBDNG-URAOTHONSA-N 0 0 505.574 6.894 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264292 553228851 /nfs/dbraw/zinc/22/88/51/553228851.db2.gz QECPNXYRADXHTH-AFJIDDCJSA-N 0 0 509.993 7.539 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264334 553229107 /nfs/dbraw/zinc/22/91/07/553229107.db2.gz INDBITLVUBZOOY-WENCNXQZSA-N 0 0 505.574 6.894 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)NC1=S ZINC000009264483 553229115 /nfs/dbraw/zinc/22/91/15/553229115.db2.gz DYJPDRHBFTZQES-HZHRSRAPSA-N 0 0 506.027 5.139 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009271175 553230516 /nfs/dbraw/zinc/23/05/16/553230516.db2.gz GWKOTAGBDGQJIZ-VWLOTQADSA-N 0 0 514.603 6.022 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009271409 553230634 /nfs/dbraw/zinc/23/06/34/553230634.db2.gz WMSWXAILMOKEEY-QHCPKHFHSA-N 0 0 502.548 5.105 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009271328 553230691 /nfs/dbraw/zinc/23/06/91/553230691.db2.gz DJVAUPUDFGCTKL-QFIPXVFZSA-N 0 0 504.633 6.447 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271661 553231326 /nfs/dbraw/zinc/23/13/26/553231326.db2.gz PQPKVAODPNREDN-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272018 553231456 /nfs/dbraw/zinc/23/14/56/553231456.db2.gz YGPPWDWWGHTLNP-OAQYLSRUSA-N 0 0 511.372 5.526 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000009273071 553232011 /nfs/dbraw/zinc/23/20/11/553232011.db2.gz MBCOPNVYBJMEDN-RCUBAKFLSA-N 0 0 511.625 7.004 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009273316 553232224 /nfs/dbraw/zinc/23/22/24/553232224.db2.gz LJFWCZFZYKLTAS-HSZRJFAPSA-N 0 0 504.564 5.615 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009275784 553232776 /nfs/dbraw/zinc/23/27/76/553232776.db2.gz IUJMTRCEGZFAOL-VWLOTQADSA-N 0 0 516.594 6.740 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000009290666 553234457 /nfs/dbraw/zinc/23/44/57/553234457.db2.gz OUTUAEUVFBLWMM-PIIWDFAUSA-N 0 0 537.653 5.448 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290922 553234477 /nfs/dbraw/zinc/23/44/77/553234477.db2.gz QHENEMAXFPOTIF-PUAOIOHZSA-N 0 0 512.587 5.720 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009292792 553235142 /nfs/dbraw/zinc/23/51/42/553235142.db2.gz CIZDZDPOHMSWPQ-RBTNQOKQSA-N 0 0 529.637 5.444 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292831 553235350 /nfs/dbraw/zinc/23/53/50/553235350.db2.gz PXDNLJQCWHHTAZ-GDJIYFAZSA-N 0 0 526.589 5.147 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009308647 553237435 /nfs/dbraw/zinc/23/74/35/553237435.db2.gz NUYXWPSJTRIQOY-PPHZAIPVSA-N 0 0 523.626 5.058 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009308701 553237713 /nfs/dbraw/zinc/23/77/13/553237713.db2.gz OADZQRTUGGJEIW-MYYSRTQBSA-N 0 0 513.575 5.196 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009308823 553237738 /nfs/dbraw/zinc/23/77/38/553237738.db2.gz AUPDNFBQXZWBKL-MMTVBGGISA-N 0 0 537.653 5.593 50 30 KKEARN COC(=O)[C@]1(Nc2c(Cl)cccc2Cl)C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000009310170 553238723 /nfs/dbraw/zinc/23/87/23/553238723.db2.gz TVEAAGIKLOIAKX-SANMLTNESA-N 0 0 511.361 5.325 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 ZINC000009310377 553238886 /nfs/dbraw/zinc/23/88/86/553238886.db2.gz DDDVXWYXIQDWPN-OGLMXYFKSA-N 0 0 506.526 6.281 50 30 KKEARN CCOc1c(I)cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1OC ZINC000009311180 553239315 /nfs/dbraw/zinc/23/93/15/553239315.db2.gz AOEGRNWEFYRXSM-WQRHYEAKSA-N 0 0 508.381 5.207 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312169 553240121 /nfs/dbraw/zinc/24/01/21/553240121.db2.gz DKGHHUOLVGCPKQ-PBBNMVCDSA-N 0 0 511.618 6.358 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009312457 553240309 /nfs/dbraw/zinc/24/03/09/553240309.db2.gz DUXFRUFYODTBKZ-PPHZAIPVSA-N 0 0 523.626 5.202 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009333935 553242863 /nfs/dbraw/zinc/24/28/63/553242863.db2.gz GHJTXLSJIWJULK-DEOSSOPVSA-N 0 0 500.595 6.824 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334189 553243068 /nfs/dbraw/zinc/24/30/68/553243068.db2.gz PTCJVSSUCZGKLJ-DEOSSOPVSA-N 0 0 516.619 6.677 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC)C2=O)cc1 ZINC000009347958 553244623 /nfs/dbraw/zinc/24/46/23/553244623.db2.gz ZXJUCXFKMLBEEK-PLRJNAJWSA-N 0 0 503.693 6.886 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009353429 553245583 /nfs/dbraw/zinc/24/55/83/553245583.db2.gz UXHOXXQULSTONX-QHCPKHFHSA-N 0 0 502.548 5.105 50 30 KKEARN Clc1ccc2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000009354520 553246026 /nfs/dbraw/zinc/24/60/26/553246026.db2.gz CWGSCGMIPQIWPJ-FMFFXOCNSA-N 0 0 500.005 7.854 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009356593 553246590 /nfs/dbraw/zinc/24/65/90/553246590.db2.gz GKIQEMGNPCDLAW-CPJLOUKISA-N 0 0 512.587 5.725 50 30 KKEARN COC(=O)[C@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000009356906 553246766 /nfs/dbraw/zinc/24/67/66/553246766.db2.gz SBNDRFPXVQFSEC-CDILPITASA-N 0 0 513.391 5.383 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009357921 553247199 /nfs/dbraw/zinc/24/71/99/553247199.db2.gz COLFFLHIHXVIMJ-ZTOMLWHTSA-N 0 0 510.565 5.923 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009358329 553247589 /nfs/dbraw/zinc/24/75/89/553247589.db2.gz ZBLRMABUUDOSHR-HHHXNRCGSA-N 0 0 500.595 5.602 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009360017 553248183 /nfs/dbraw/zinc/24/81/83/553248183.db2.gz SEHOZOUHLMOGPG-MMTVBGGISA-N 0 0 513.590 5.204 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360409 553248449 /nfs/dbraw/zinc/24/84/49/553248449.db2.gz ADQQJGZKEYCQAD-LMKMVOKYSA-N 0 0 512.587 5.720 50 30 KKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009370660 553250060 /nfs/dbraw/zinc/25/00/60/553250060.db2.gz QQISIUOJKGJHGM-FLQJWANXSA-N 0 0 504.380 6.030 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009374341 553250661 /nfs/dbraw/zinc/25/06/61/553250661.db2.gz KMCSIUWOIDKXID-LJAQVGFWSA-N 0 0 527.661 6.486 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009374769 553250985 /nfs/dbraw/zinc/25/09/85/553250985.db2.gz KOVKXBLIVCGHNP-HHHXNRCGSA-N 0 0 514.578 5.056 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000009375384 553251079 /nfs/dbraw/zinc/25/10/79/553251079.db2.gz LMOAKJNJFBBFKF-MHZLTWQESA-N 0 0 503.614 7.227 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(OC)c3)C2)cc1 ZINC000009379660 553251285 /nfs/dbraw/zinc/25/12/85/553251285.db2.gz RHSNZRUMYUYBEK-UZTOHYMASA-N 0 0 522.523 6.167 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000009380510 553251766 /nfs/dbraw/zinc/25/17/66/553251766.db2.gz GAUYAKUYMONNGV-MUUNZHRXSA-N 0 0 515.606 5.588 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009412335 553257665 /nfs/dbraw/zinc/25/76/65/553257665.db2.gz WYTOLSQVLLPQPV-GDJIYFAZSA-N 0 0 526.589 5.147 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009424108 553258534 /nfs/dbraw/zinc/25/85/34/553258534.db2.gz WYPQMFIZGKUXSP-AFJIDDCJSA-N 0 0 527.617 5.628 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009425167 553259346 /nfs/dbraw/zinc/25/93/46/553259346.db2.gz FYNICPPOUHRZRE-AREMUKBSSA-N 0 0 519.550 5.017 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009425331 553259489 /nfs/dbraw/zinc/25/94/89/553259489.db2.gz WFJRKHQRRAXNDP-HHHXNRCGSA-N 0 0 511.647 6.487 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c1 ZINC000009427667 553259990 /nfs/dbraw/zinc/25/99/90/553259990.db2.gz KEEXZZOCKJSUPX-ULJHMMPZSA-N 0 0 505.665 5.650 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC)C2=O)cc1C ZINC000009435822 553264057 /nfs/dbraw/zinc/26/40/57/553264057.db2.gz PSOPICOSQXJAFJ-XHPQRKPJSA-N 0 0 517.720 7.194 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000009436660 553264618 /nfs/dbraw/zinc/26/46/18/553264618.db2.gz KLGNOJOPXSRGBO-JOCHJYFZSA-N 0 0 504.589 5.529 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009451971 553265992 /nfs/dbraw/zinc/26/59/92/553265992.db2.gz XZJUZLTUJQZCLF-QLXKLKPCSA-N 0 0 503.551 5.179 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009452432 553266161 /nfs/dbraw/zinc/26/61/61/553266161.db2.gz XHIHZJQZQIJPBJ-GDLZYMKVSA-N 0 0 527.617 5.848 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009454685 553266295 /nfs/dbraw/zinc/26/62/95/553266295.db2.gz CCUUTWBIFKLKEW-QHCPKHFHSA-N 0 0 502.523 5.298 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009460778 553266934 /nfs/dbraw/zinc/26/69/34/553266934.db2.gz FLARKAAZCBFKGI-ZHHPLPSFSA-N 0 0 505.442 5.544 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000009461043 553267136 /nfs/dbraw/zinc/26/71/36/553267136.db2.gz CQPGIXVSHSLFBK-HSZRJFAPSA-N 0 0 502.548 5.110 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009461115 553267300 /nfs/dbraw/zinc/26/73/00/553267300.db2.gz GBXPMJKJJCVMOE-MUUNZHRXSA-N 0 0 515.606 5.588 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C(C)(C)C)[C@H]1c1ccc(Br)cc1 ZINC000009462390 553268312 /nfs/dbraw/zinc/26/83/12/553268312.db2.gz JPGIDCWZSUFWRB-IQXSCUCBSA-N 0 0 507.428 5.505 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009462583 553268548 /nfs/dbraw/zinc/26/85/48/553268548.db2.gz NLLGBTIKPGBQOU-AREMUKBSSA-N 0 0 505.998 5.842 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009462966 553268695 /nfs/dbraw/zinc/26/86/95/553268695.db2.gz PMCBPPVJFSTHOA-GPNASLBKSA-N 0 0 512.625 7.315 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009463316 553268924 /nfs/dbraw/zinc/26/89/24/553268924.db2.gz ZDTZXGYODCQBFN-MUUNZHRXSA-N 0 0 513.590 5.364 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009470856 553269750 /nfs/dbraw/zinc/26/97/50/553269750.db2.gz ABEMMMKQESHULE-NDEPHWFRSA-N 0 0 513.590 5.458 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1OC ZINC000009477481 553272454 /nfs/dbraw/zinc/27/24/54/553272454.db2.gz HOUSFGURZSAJLA-NDEPHWFRSA-N 0 0 531.605 5.206 50 30 KKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Nc2ccccc2Cl)cc1 ZINC000009483189 553272666 /nfs/dbraw/zinc/27/26/66/553272666.db2.gz QOSVWDFFZLHVKJ-GDLZYMKVSA-N 0 0 500.042 6.904 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000009497309 553274629 /nfs/dbraw/zinc/27/46/29/553274629.db2.gz YLQCOUZDJNVLCV-QFIPXVFZSA-N 0 0 517.464 5.170 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009506803 553275770 /nfs/dbraw/zinc/27/57/70/553275770.db2.gz SZJGYRIMRWOKSB-SSEXGKCCSA-N 0 0 518.613 6.310 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009507353 553275932 /nfs/dbraw/zinc/27/59/32/553275932.db2.gz ULCBZGDXNQSJGS-LJAQVGFWSA-N 0 0 504.586 6.056 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000009510935 553276213 /nfs/dbraw/zinc/27/62/13/553276213.db2.gz NFCXIDHYKKJBGH-JBEBIEQOSA-N 0 0 514.559 5.117 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000009510937 553276342 /nfs/dbraw/zinc/27/63/42/553276342.db2.gz NFCXIDHYKKJBGH-LFPIHBKWSA-N 0 0 514.559 5.117 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000009553604 553278509 /nfs/dbraw/zinc/27/85/09/553278509.db2.gz NFVNLADQSVAXFA-FZWCJVCJSA-N 0 0 521.614 5.436 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000009553605 553278522 /nfs/dbraw/zinc/27/85/22/553278522.db2.gz NFVNLADQSVAXFA-PGWWVJEZSA-N 0 0 521.614 5.436 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000009554156 553278912 /nfs/dbraw/zinc/27/89/12/553278912.db2.gz KGYNGDXWAJYGKD-XJFCNFDWSA-N 0 0 515.569 6.805 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc(Br)c(Br)o1 ZINC000009554162 553278921 /nfs/dbraw/zinc/27/89/21/553278921.db2.gz LGTWTMICGCRSSH-OAQYLSRUSA-N 0 0 501.218 7.158 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009554208 553278941 /nfs/dbraw/zinc/27/89/41/553278941.db2.gz MHLDOLTZRBRZTJ-UZWMFBFFSA-N 0 0 526.664 5.749 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccc(OC)cc2)cc1 ZINC000009584131 553282401 /nfs/dbraw/zinc/28/24/01/553282401.db2.gz SUFPNNNNICLNGG-BFDJQPSGSA-N 0 0 523.549 5.074 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(C)c2)cc1OC ZINC000009598294 553284300 /nfs/dbraw/zinc/28/43/00/553284300.db2.gz MTVWEYWXOQBVCU-DLLPINGYSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000009598273 553284319 /nfs/dbraw/zinc/28/43/19/553284319.db2.gz FFSXREKSPBGFPX-KEEVHDRGSA-N 0 0 528.605 5.614 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608810 553287757 /nfs/dbraw/zinc/28/77/57/553287757.db2.gz FOVFLYDBIVMVLO-QHCPKHFHSA-N 0 0 517.651 5.588 50 30 KKEARN N#Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCC1 ZINC000009636705 553292491 /nfs/dbraw/zinc/29/24/91/553292491.db2.gz MNJBEAZHZRMRKB-UHFFFAOYSA-N 0 0 502.665 5.614 50 30 KKEARN C=CCOc1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000009761116 553302880 /nfs/dbraw/zinc/30/28/80/553302880.db2.gz UTNWJISSFROKAO-UHFFFAOYSA-N 0 0 520.633 5.027 50 30 KKEARN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(Cl)cc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000009761140 553302892 /nfs/dbraw/zinc/30/28/92/553302892.db2.gz KEEMUWKRSCOGEI-FCEKVYKBSA-N 0 0 509.993 5.950 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000009763376 553303198 /nfs/dbraw/zinc/30/31/98/553303198.db2.gz FAZDMXDERXSAEC-IOYDYCAWSA-N 0 0 507.587 5.394 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763618 553303434 /nfs/dbraw/zinc/30/34/34/553303434.db2.gz XXWWSSPFEAGDBQ-SBGXGKRISA-N 0 0 510.015 5.518 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775647 553304451 /nfs/dbraw/zinc/30/44/51/553304451.db2.gz YYLHSMSANAXIEG-UHFFFAOYSA-N 0 0 511.662 6.667 50 30 KKEARN CCOc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009777459 553306745 /nfs/dbraw/zinc/30/67/45/553306745.db2.gz UPKWEBGYJISNEL-UHFFFAOYSA-N 0 0 504.070 7.629 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009779490 553307455 /nfs/dbraw/zinc/30/74/55/553307455.db2.gz UTKOMRICIMQFRZ-QNLPTKCRSA-N 0 0 514.581 6.626 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC ZINC000009846318 553311603 /nfs/dbraw/zinc/31/16/03/553311603.db2.gz UWUDCVSEPDDPAQ-FJOMVMCCSA-N 0 0 507.587 5.046 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861091 553313970 /nfs/dbraw/zinc/31/39/70/553313970.db2.gz XBUJSHMBLRZGTG-JOCHJYFZSA-N 0 0 522.468 6.302 50 30 KKEARN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000009907693 553316210 /nfs/dbraw/zinc/31/62/10/553316210.db2.gz NQLHXULVEBMBPI-NJLKOBJSSA-N 0 0 520.695 7.318 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009934352 553317881 /nfs/dbraw/zinc/31/78/81/553317881.db2.gz LRZCVOJQSGBSRK-GJBXTBEHSA-N 0 0 524.661 7.185 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC=C)C3=O)cc2OCC)c(OC)c1 ZINC000009957690 553320415 /nfs/dbraw/zinc/32/04/15/553320415.db2.gz MKBMTEGSJJKWBB-BWAHOGKJSA-N 0 0 511.665 5.667 50 30 KKEARN C=C(Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000009971189 553322568 /nfs/dbraw/zinc/32/25/68/553322568.db2.gz WSPQACZKZYNQLM-MPLKDADXSA-N 0 0 510.634 6.722 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982718 553323429 /nfs/dbraw/zinc/32/34/29/553323429.db2.gz FTPAWFQNQPMYFF-FNZWTVRRSA-N 0 0 500.689 6.779 50 30 KKEARN CC(C)(C)c1ccc([S@@](=O)C[C@@H](O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000009993161 553323727 /nfs/dbraw/zinc/32/37/27/553323727.db2.gz MXBZKEJWZVZWEX-GELPCWRISA-N 0 0 526.727 6.846 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000009993381 553323758 /nfs/dbraw/zinc/32/37/58/553323758.db2.gz BAALFYUZNCPFDC-NIJXNBFTSA-N 0 0 524.013 5.063 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000010013536 553326046 /nfs/dbraw/zinc/32/60/46/553326046.db2.gz XJYVXSLJLMUDSF-ACSYHNTCSA-N 0 0 512.581 5.843 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000011026285 553338811 /nfs/dbraw/zinc/33/88/11/553338811.db2.gz FVVKZEGGHALWRI-AREMUKBSSA-N 0 0 539.632 6.757 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000011852356 553344853 /nfs/dbraw/zinc/34/48/53/553344853.db2.gz RTILXSTVMQKREN-UHFFFAOYSA-N 0 0 505.621 5.284 50 30 KKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000012343291 553358880 /nfs/dbraw/zinc/35/88/80/553358880.db2.gz BKAUASWSCSYODX-FJEPWZHXSA-N 0 0 512.238 7.716 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349688 553359084 /nfs/dbraw/zinc/35/90/84/553359084.db2.gz QXDHAUGNBWOYKZ-JPZYQRIQSA-N 0 0 523.654 7.303 50 30 KKEARN C=CCNC(=S)c1c(-c2ccc(F)cc2)c2c3n1cc(-c1ccc(Br)cc1)n3CCCC2 ZINC000012363569 553359490 /nfs/dbraw/zinc/35/94/90/553359490.db2.gz RAQWRSOYXSQGCV-UHFFFAOYSA-N 0 0 508.460 6.764 50 30 KKEARN COc1ccc(NC(=O)ON=C(Nc2ccc(OC(F)(F)F)cc2)c2c(Cl)cccc2Cl)cc1 ZINC000012369973 553360096 /nfs/dbraw/zinc/36/00/96/553360096.db2.gz SBPNJUVGJBTILB-UHFFFAOYSA-N 0 0 514.287 6.923 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)Nc1nccs1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000012402344 553362808 /nfs/dbraw/zinc/36/28/08/553362808.db2.gz GMGVGFUCQYRUCF-OAQYLSRUSA-N 0 0 515.595 5.107 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411738 553363553 /nfs/dbraw/zinc/36/35/53/553363553.db2.gz DTXWFMNSSCGRDQ-PBBNMVCDSA-N 0 0 529.681 6.734 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000012413844 553364724 /nfs/dbraw/zinc/36/47/24/553364724.db2.gz IRJDVAXRHCBLIV-XMMPIXPASA-N 0 0 518.679 6.046 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416318 553364839 /nfs/dbraw/zinc/36/48/39/553364839.db2.gz PZSMYODEBVBLBO-QUGAMOGWSA-N 0 0 519.022 6.131 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000012416362 553364875 /nfs/dbraw/zinc/36/48/75/553364875.db2.gz SUJSHHAROWEXNE-QUGAMOGWSA-N 0 0 518.610 5.905 50 30 KKEARN Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(-c3ccccc3)c2c1 ZINC000012436689 553366199 /nfs/dbraw/zinc/36/61/99/553366199.db2.gz JMELJVFVTUIEMV-CZIZESTLSA-N 0 0 507.593 7.252 50 30 KKEARN COc1ccc(C2(C#N)CCC(=NN=C3CCC(C#N)(c4ccc(OC)c(OC)c4)CC3)CC2)cc1OC ZINC000012437028 553366427 /nfs/dbraw/zinc/36/64/27/553366427.db2.gz SHRIOOVDCLIXBQ-UHFFFAOYSA-N 0 0 514.626 5.889 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000012469364 553368004 /nfs/dbraw/zinc/36/80/04/553368004.db2.gz OTUAOYFSVUAYQM-PCKLGSBKSA-N 0 0 512.006 5.691 50 30 KKEARN C=CCn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nc2scc(-c3ccco3)c2c1=O ZINC000012549023 553392534 /nfs/dbraw/zinc/39/25/34/553392534.db2.gz DBINQXCGEANLDF-UYTITELCSA-N 0 0 509.697 5.717 50 30 KKEARN COc1cc([C@@H]2c3c(C)nn(-c4cc(C(F)(F)F)ccc4Cl)c3NC3=C2C(=O)CCC3)ccc1O ZINC000012555268 553393321 /nfs/dbraw/zinc/39/33/21/553393321.db2.gz LZFIICRXZASLBD-JOCHJYFZSA-N 0 0 503.908 6.132 50 30 KKEARN COC(=O)c1ccc(/N=C2/S/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)N2C)cc1 ZINC000012628038 553405019 /nfs/dbraw/zinc/40/50/19/553405019.db2.gz OKVPBFLVRQBECB-BWOZNFONSA-N 0 0 515.591 5.033 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000012628218 553405276 /nfs/dbraw/zinc/40/52/76/553405276.db2.gz JWAGADCIGFKKRQ-IOYDYCAWSA-N 0 0 508.043 5.860 50 30 KKEARN O=C(C1CCCCC1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652277 553409706 /nfs/dbraw/zinc/40/97/06/553409706.db2.gz HVSKWFHAESDUSP-ONOMSOESSA-N 0 0 501.026 7.414 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652419 553410055 /nfs/dbraw/zinc/41/00/55/553410055.db2.gz DBOUWILPLQGQAT-HZAQMHFWSA-N 0 0 510.615 6.493 50 30 KKEARN COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@@]54C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000012658662 553411371 /nfs/dbraw/zinc/41/13/71/553411371.db2.gz WLYQWRSVIUXFMI-VLLQTTNSSA-N 0 0 524.742 6.992 50 30 biogenic KKEARN COc1ccc(C2=C[C@](O)(c3ccc(OC)cc3)[C@H](C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012659092 553411388 /nfs/dbraw/zinc/41/13/88/553411388.db2.gz WRBYXBXOFDTHRD-HQWHNGHJSA-N 0 0 516.637 7.061 50 30 biogenic KKEARN Cc1c(/C(=N/OC(=O)c2ccc(Cl)cc2Cl)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012953534 553428941 /nfs/dbraw/zinc/42/89/41/553428941.db2.gz KFAWUCUGWLLHBQ-NQUVTRGKSA-N 0 0 613.416 7.426 50 30 KKEARN COc1cccc(C(=O)O/N=C(/c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)c2C)C(F)(F)F)c1 ZINC000012953550 553428988 /nfs/dbraw/zinc/42/89/88/553428988.db2.gz XXFCFHBFDAFKON-MKFPQRGTSA-N 0 0 574.552 6.127 50 30 KKEARN Cc1c2ccccc2nc(Sc2ccc(Br)cc2)c1C(=O)/C=C/c1cccc(Cl)c1Cl ZINC000012953836 553429156 /nfs/dbraw/zinc/42/91/56/553429156.db2.gz HOKCRAWSZFDANB-NTEUORMPSA-N 0 0 529.286 8.660 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1SCc1cccc(C(F)(F)F)c1 ZINC000012956749 553429799 /nfs/dbraw/zinc/42/97/99/553429799.db2.gz WSJPNSPDOZLTTQ-IPBVOBEMSA-N 0 0 515.340 7.763 50 30 KKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012957626 553429869 /nfs/dbraw/zinc/42/98/69/553429869.db2.gz RDKHIBPQGAAXJM-KMFGHYFASA-N 0 0 523.641 7.774 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000012957207 553429891 /nfs/dbraw/zinc/42/98/91/553429891.db2.gz SRYXZEYBHVLXNS-KBVAKVRCSA-N 0 0 523.220 7.199 50 30 KKEARN O=S(=O)(c1ccccc1)[C@@H](/C=N/OCc1c(Cl)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000012960382 553430682 /nfs/dbraw/zinc/43/06/82/553430682.db2.gz UDEWHMAKQVKSNL-XNMLFDGISA-N 0 0 537.774 6.778 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(N(CC)CCO)cc1C ZINC000013286185 553457830 /nfs/dbraw/zinc/45/78/30/553457830.db2.gz NBSKZOWPMRQBIE-CNPBBGJZSA-N 0 0 531.147 6.241 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]23)cc1 ZINC000013470845 553459691 /nfs/dbraw/zinc/45/96/91/553459691.db2.gz QEYZTSBBFRRISY-FKHVSLRWSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000013548373 553469929 /nfs/dbraw/zinc/46/99/29/553469929.db2.gz YYBRSMMUHYXKRF-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN C=CCn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000013552707 553470962 /nfs/dbraw/zinc/47/09/62/553470962.db2.gz NSILQJITBLFGIE-UHFFFAOYSA-N 0 0 507.744 6.375 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569584 553473566 /nfs/dbraw/zinc/47/35/66/553473566.db2.gz AJKZJHIFQTXSHY-QFIPXVFZSA-N 0 0 504.564 5.560 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000013570372 553473648 /nfs/dbraw/zinc/47/36/48/553473648.db2.gz HDPWQUIQAOTCAU-RUZDIDTESA-N 0 0 501.539 5.256 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000013570524 553473678 /nfs/dbraw/zinc/47/36/78/553473678.db2.gz LKNBXLFCLOYTMW-HSZRJFAPSA-N 0 0 506.426 6.096 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000013571177 553473937 /nfs/dbraw/zinc/47/39/37/553473937.db2.gz TZKSZYFKPIVQJL-AREMUKBSSA-N 0 0 512.631 6.828 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000013689230 553485652 /nfs/dbraw/zinc/48/56/52/553485652.db2.gz FWYODRFMKRPOJU-NGNZEAJZSA-N 0 0 513.541 5.875 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)Nc3nc4ccccc4s3)c2C#N)cc1 ZINC000013739327 553487327 /nfs/dbraw/zinc/48/73/27/553487327.db2.gz OTQPAXCSAFJTKC-UHFFFAOYSA-N 0 0 514.657 6.698 50 30 KKEARN CCCCCCOc1ccc(/C(CCCCCC/C(=N\O)c2ccc(OCCCCCC)cc2)=N/O)cc1 ZINC000013757226 553488280 /nfs/dbraw/zinc/48/82/80/553488280.db2.gz KWUMPOBCAXJUOC-FMWAKIAMSA-N 0 0 524.746 9.002 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000013770099 553489358 /nfs/dbraw/zinc/48/93/58/553489358.db2.gz XOJSHHVLRJQLRH-FPQJKWOGSA-N 0 0 513.557 6.123 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000013801313 553491340 /nfs/dbraw/zinc/49/13/40/553491340.db2.gz FSHREYLAAUFCBT-FWOCFWLASA-N 0 0 500.624 5.184 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3OC)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000013880892 553493889 /nfs/dbraw/zinc/49/38/89/553493889.db2.gz RGJWWVVIKPWKCG-HEGBNERUSA-N 0 0 513.619 6.040 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(CC(C)C)=NN3C2=N)cc1OC ZINC000013893808 553494357 /nfs/dbraw/zinc/49/43/57/553494357.db2.gz ROYYTKSYCFFEHG-CLBQFBSBSA-N 0 0 518.639 5.547 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc(CC)cc3)c(OCC)c2)SC1=S ZINC000013893154 553494394 /nfs/dbraw/zinc/49/43/94/553494394.db2.gz TZDRCFSUDKGAEA-HAVVHWLPSA-N 0 0 518.100 6.536 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1 ZINC000014008671 553499005 /nfs/dbraw/zinc/49/90/05/553499005.db2.gz IWAXFAGENZYXEZ-LPYMAVHISA-N 0 0 506.496 5.586 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)nnc1-c1ccccn1 ZINC000014111208 553500836 /nfs/dbraw/zinc/50/08/36/553500836.db2.gz FKMMUZHUIHOUKK-UHFFFAOYSA-N 0 0 513.446 5.143 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000014356766 553512160 /nfs/dbraw/zinc/51/21/60/553512160.db2.gz ZNTXHWISYRAVPV-KNTRCKAVSA-N 0 0 525.630 6.212 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000014357629 553512532 /nfs/dbraw/zinc/51/25/32/553512532.db2.gz BMUKFZIPJFRJPJ-RWJNZEQESA-N 0 0 517.025 5.625 50 30 KKEARN CCC[C@H](CNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21)c1ccc(Cl)cc1Cl ZINC000014358346 553512871 /nfs/dbraw/zinc/51/28/71/553512871.db2.gz WCRNMERJDQBYAF-QGZVFWFLSA-N 0 0 511.478 6.767 50 30 KKEARN C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1-c1cccc(C)c1 ZINC000014360186 553513851 /nfs/dbraw/zinc/51/38/51/553513851.db2.gz XRXOWIJEXXVUSW-QHCPKHFHSA-N 0 0 518.042 6.156 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000014923057 553521536 /nfs/dbraw/zinc/52/15/36/553521536.db2.gz KXYGHNMBVPYNLS-FKHVSLRWSA-N 0 0 512.609 6.347 50 30 KKEARN O=C(Cc1cccc2ccccc21)Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000015133862 553528271 /nfs/dbraw/zinc/52/82/71/553528271.db2.gz WXNMELASBSCIDP-ACDDCSIASA-N 0 0 514.541 8.062 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000015188170 553528626 /nfs/dbraw/zinc/52/86/26/553528626.db2.gz RZYDRKKFHNMHTA-ZJNPVAPASA-N 0 0 512.609 6.265 50 30 KKEARN Cc1cc(S[C@H](C)C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)n2c3ccccc3nc2c1C#N ZINC000015910210 553540673 /nfs/dbraw/zinc/54/06/73/553540673.db2.gz YVQYXVPADGSJBE-CQSZACIVSA-N 0 0 513.406 5.637 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015931419 553542434 /nfs/dbraw/zinc/54/24/34/553542434.db2.gz XILMPTYVLISQOY-OCKHKDLRSA-N 0 0 500.103 5.039 50 30 KKEARN COC(=O)c1ccc(N=NC(N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc2)cc1 ZINC000015938254 553543219 /nfs/dbraw/zinc/54/32/19/553543219.db2.gz RMDQWNDTLIXDBH-HVELPMHUSA-N 0 0 512.573 7.155 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@H]2c1cccc(O)c1 ZINC000016286634 553558805 /nfs/dbraw/zinc/55/88/05/553558805.db2.gz BOYRTHONCDJYLG-FQEVSTJZSA-N 0 0 504.568 5.289 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729900 553576079 /nfs/dbraw/zinc/57/60/79/553576079.db2.gz UCDSTHJBBOJQSA-CUBQBAPOSA-N 0 0 537.653 5.666 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016730018 553576321 /nfs/dbraw/zinc/57/63/21/553576321.db2.gz PYNZZLSCOXQBFR-IAPPQJPRSA-N 0 0 521.654 6.192 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000016730513 553576534 /nfs/dbraw/zinc/57/65/34/553576534.db2.gz HAABLHNHMXQWQZ-QFIPXVFZSA-N 0 0 520.582 5.587 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731120 553577125 /nfs/dbraw/zinc/57/71/25/553577125.db2.gz QAQSTTFSUHNLSL-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731232 553577136 /nfs/dbraw/zinc/57/71/36/553577136.db2.gz IZZDCNRMCIZSGN-SANMLTNESA-N 0 0 504.558 5.577 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733226 553577925 /nfs/dbraw/zinc/57/79/25/553577925.db2.gz SXTKEPGTQDKLPO-FQEVSTJZSA-N 0 0 508.796 5.116 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733540 553578194 /nfs/dbraw/zinc/57/81/94/553578194.db2.gz LNZKSDBEVFPCOW-NRFANRHFSA-N 0 0 506.769 6.417 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741409 553579735 /nfs/dbraw/zinc/57/97/35/553579735.db2.gz RSOUSGPYFCGRLH-MHZLTWQESA-N 0 0 516.594 5.446 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016741415 553579764 /nfs/dbraw/zinc/57/97/64/553579764.db2.gz SHDUSANTIQGSEP-YIXXDRMTSA-N 0 0 513.546 5.007 50 30 KKEARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccc(C)cc2)cc1OCC ZINC000016741713 553580069 /nfs/dbraw/zinc/58/00/69/553580069.db2.gz CUXBFMPILOLJLE-RUZDIDTESA-N 0 0 525.667 5.541 50 30 KKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041212 553587105 /nfs/dbraw/zinc/58/71/05/553587105.db2.gz FGKSDHVLEWLHGO-NRFANRHFSA-N 0 0 502.596 5.892 50 30 KKEARN Cc1ccc2cc(/C=C/C(=O)c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)c(=O)[nH]c2c1 ZINC000017029251 553587163 /nfs/dbraw/zinc/58/71/63/553587163.db2.gz HEVJJNKEPBZOGZ-FMIVXFBMSA-N 0 0 511.375 6.004 50 30 KKEARN Clc1ccc2nc(N=NCc3cc4cc5c(cc4nc3Cl)OCCO5)nc(-c3ccccc3)c2c1 ZINC000017138959 553588868 /nfs/dbraw/zinc/58/88/68/553588868.db2.gz FCUAJUWXNZGNLS-IPPBACCNSA-N 0 0 502.361 6.369 50 30 KKEARN Cc1ccc(NC(=NCCCc2ccccc2)C(=NCCCc2ccccc2)Nc2ccc(C)cc2)cc1 ZINC000017154914 553589356 /nfs/dbraw/zinc/58/93/56/553589356.db2.gz LVPXEWYSBTYETB-UHFFFAOYSA-N 0 0 502.706 7.508 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cc(C)sc1C ZINC000017166755 553589550 /nfs/dbraw/zinc/58/95/50/553589550.db2.gz FLTDAPJTDHUDJF-IEZKXTBUSA-N 0 0 523.651 5.087 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cc(C)sc1C ZINC000017166760 553589596 /nfs/dbraw/zinc/58/95/96/553589596.db2.gz FLTDAPJTDHUDJF-GVXSCFBNSA-N 0 0 523.651 5.087 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000017207548 553590649 /nfs/dbraw/zinc/59/06/49/553590649.db2.gz BZJUZTXWEWSHKQ-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576237 553591115 /nfs/dbraw/zinc/59/11/15/553591115.db2.gz GJXLGRVQUNDZER-KOLCDFICSA-N 0 0 601.209 6.506 50 30 KKEARN N#Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000068575368 553591142 /nfs/dbraw/zinc/59/11/42/553591142.db2.gz BRYJDVSAFGBNJG-UHFFFAOYSA-N 0 0 564.195 6.506 50 30 KKEARN O=C(Nc1ccccc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575358 553591182 /nfs/dbraw/zinc/59/11/82/553591182.db2.gz ZNSJFNNRKLUACB-PSASIEDQSA-N 0 0 571.183 6.498 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020131774 553591658 /nfs/dbraw/zinc/59/16/58/553591658.db2.gz OZZYIJZWOACXEI-SANMLTNESA-N 0 0 502.611 5.031 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Oc5ccccc5C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664858 553595280 /nfs/dbraw/zinc/59/52/80/553595280.db2.gz ZMWGTNHAGAIBGN-VOYLJJHISA-N 0 0 520.798 10.209 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017434146 553596013 /nfs/dbraw/zinc/59/60/13/553596013.db2.gz OMSFIUVUBTWXOL-UHFFFAOYSA-N 0 0 542.076 5.266 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Cl)cc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070669883 553599257 /nfs/dbraw/zinc/59/92/57/553599257.db2.gz PBFZNBCIOYZGPX-OYIUTVGDSA-N 0 0 591.276 9.733 50 30 biogenic KKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCC(Cc3ccccc3)CC2)n1 ZINC000017780721 553599663 /nfs/dbraw/zinc/59/96/63/553599663.db2.gz BMABQSKEYAHAAC-UHFFFAOYSA-N 0 0 511.457 6.355 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000020158570 553600241 /nfs/dbraw/zinc/60/02/41/553600241.db2.gz MJQRJTLMGGYIQK-HFJWLAOPSA-N 0 0 519.619 5.104 50 30 KKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1COC(=O)c1ccc(Br)cc1 ZINC000070670186 553600591 /nfs/dbraw/zinc/60/05/91/553600591.db2.gz WQSHYRPYEFFDFB-IGAPKSLYSA-N 0 0 543.498 7.284 50 30 biogenic KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020169165 553601676 /nfs/dbraw/zinc/60/16/76/553601676.db2.gz ZSXSLHQJTCCXHM-GAJHUEQPSA-N 0 0 505.558 5.708 50 30 KKEARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000018066580 553602686 /nfs/dbraw/zinc/60/26/86/553602686.db2.gz KCJYDWIOOLWXFL-PNJMJVHGSA-N 0 0 512.006 5.691 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(O)c2)cc1OC ZINC000018066529 553602760 /nfs/dbraw/zinc/60/27/60/553602760.db2.gz VVLUHOHDBHLQKR-YKGWIAGDSA-N 0 0 524.617 5.718 50 30 KKEARN Cc1cccc(N2CCN(C(=O)c3ccc4nc(CC(=O)c5ccc(Cl)cc5)c(=O)[nH]c4c3)CC2)c1C ZINC000020177115 553602810 /nfs/dbraw/zinc/60/28/10/553602810.db2.gz MZOZCXUXNVYXAT-UQQQWYQISA-N 0 0 515.013 5.050 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)c6ccc(C)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070673028 553603096 /nfs/dbraw/zinc/60/30/96/553603096.db2.gz JZUNILPNXFWFNX-UTTZXKTCSA-N 0 0 624.928 8.900 50 30 biogenic KKEARN COc1ccc(CN=C(Nc2ccc(Cl)cc2)S[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000018082804 553603471 /nfs/dbraw/zinc/60/34/71/553603471.db2.gz SSRGIUKVBAKBKW-XMMPIXPASA-N 0 0 508.043 5.808 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(C)=O ZINC000070673580 553603653 /nfs/dbraw/zinc/60/36/53/553603653.db2.gz BWKVHCZHZKCQPZ-XEEJJMCUSA-N 0 0 540.660 6.802 50 30 KKEARN COc1cccc(OCc2cc([C@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)c1 ZINC000018085928 553603655 /nfs/dbraw/zinc/60/36/55/553603655.db2.gz GZMIZNHHQAGATD-PMERELPUSA-N 0 0 539.632 5.593 50 30 KKEARN C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Br)ccc1O ZINC000070680406 553604330 /nfs/dbraw/zinc/60/43/30/553604330.db2.gz IAIZGBXRIOZYIU-NPDGNWOUSA-N 0 0 544.530 6.011 50 30 biogenic KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000018105966 553604495 /nfs/dbraw/zinc/60/44/95/553604495.db2.gz KFWHLJAZLWQBRL-CYFIQEHSSA-N 0 0 528.652 7.576 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[nH]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181751 553604597 /nfs/dbraw/zinc/60/45/97/553604597.db2.gz YGRBMCQCQZCOMS-FQEVSTJZSA-N 0 0 523.014 6.237 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(O)c2)cc1OC ZINC000018117256 553604987 /nfs/dbraw/zinc/60/49/87/553604987.db2.gz VVLUHOHDBHLQKR-RCRUUEGKSA-N 0 0 524.617 5.718 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc(OC)c1OC ZINC000018123069 553605414 /nfs/dbraw/zinc/60/54/14/553605414.db2.gz WZXVINGHMQCOCL-PMERELPUSA-N 0 0 526.633 6.098 50 30 biogenic KKEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4c5cc(OC)ccc5oc4-c4ccccc4)ccc3C2=O)cc1 ZINC000070686752 553605590 /nfs/dbraw/zinc/60/55/90/553605590.db2.gz JRJNDPOBDFJSOD-NTFVMDSBSA-N 0 0 546.531 6.730 50 30 biogenic KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000018141164 553605947 /nfs/dbraw/zinc/60/59/47/553605947.db2.gz ZYSVDVFAWZLEJE-CCLHPLFOSA-N 0 0 506.524 6.467 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018144810 553606255 /nfs/dbraw/zinc/60/62/55/553606255.db2.gz ZQACNVBXLYLHJI-CHJDUVSTSA-N 0 0 526.589 5.411 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018172530 553607220 /nfs/dbraw/zinc/60/72/20/553607220.db2.gz AVAHFWFFLUFJHE-ACSYHNTCSA-N 0 0 502.998 6.278 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(OCCC(C)C)cc2)n1 ZINC000018179306 553607472 /nfs/dbraw/zinc/60/74/72/553607472.db2.gz NRPRCQLZBQZQSE-UHFFFAOYSA-N 0 0 515.445 6.746 50 30 KKEARN CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)[C@@H](CC)CCCC)c1 ZINC000018180744 553607710 /nfs/dbraw/zinc/60/77/10/553607710.db2.gz KGYMHKNNSBSTMO-GTYOFVGBSA-N 0 0 516.726 8.225 50 30 KKEARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)[C@@H](CC)CCCC)c1 ZINC000018180741 553607732 /nfs/dbraw/zinc/60/77/32/553607732.db2.gz KGYMHKNNSBSTMO-FWUCURJTSA-N 0 0 516.726 8.225 50 30 KKEARN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)sc2c1CCCC2 ZINC000018194130 553608244 /nfs/dbraw/zinc/60/82/44/553608244.db2.gz SELDUHDWOQXHQB-LJUMEUDFSA-N 0 0 510.615 6.938 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000018196879 553608634 /nfs/dbraw/zinc/60/86/34/553608634.db2.gz NKMJAQULJHSORB-NYHFZMIOSA-N 0 0 508.430 6.492 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N\N=C5/CC[C@@]6(C)[C@@H](CC[C@H]7[C@@H]8CC[C@H](O)[C@@]8(C)CC[C@@H]76)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000070691959 553608777 /nfs/dbraw/zinc/60/87/77/553608777.db2.gz IFKAXOWEFYVMHY-HZNSIQMVSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(OCc4ccccc4)c3)C2)cc1OC ZINC000018198492 553609519 /nfs/dbraw/zinc/60/95/19/553609519.db2.gz XPZWMYITNWDAMM-PZGXJGMVSA-N 0 0 508.578 5.290 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)/C=C/c3ccc(OC)cc3)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070692142 553609624 /nfs/dbraw/zinc/60/96/24/553609624.db2.gz BTKOBXLKOUNJAZ-YVEMHZHJSA-N 0 0 602.900 9.270 50 30 biogenic KKEARN COc1c(Cl)cc(Cl)cc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000018249682 553611268 /nfs/dbraw/zinc/61/12/68/553611268.db2.gz NFJAMNVPNSXCQS-HXUWFJFHSA-N 0 0 513.343 6.707 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018250761 553611633 /nfs/dbraw/zinc/61/16/33/553611633.db2.gz QPJFBALCNWJORW-WKRVVKTRSA-N 0 0 527.596 7.215 50 30 KKEARN N#Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000018254431 553611639 /nfs/dbraw/zinc/61/16/39/553611639.db2.gz SNIBPKOEDAGUPW-SMSORMJASA-N 0 0 519.601 6.973 50 30 KKEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070697601 553612964 /nfs/dbraw/zinc/61/29/64/553612964.db2.gz NPJVQQMSVNRXBF-YRHQTUMLSA-N 0 0 561.723 5.065 50 30 biogenic KKEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000019760635 553616041 /nfs/dbraw/zinc/61/60/41/553616041.db2.gz JWOQJTNGEITARA-HLADLETHSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000019761298 553616064 /nfs/dbraw/zinc/61/60/64/553616064.db2.gz BTBCINOPBPFAQM-WTYVLRPYSA-N 0 0 535.637 5.282 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000019770388 553616136 /nfs/dbraw/zinc/61/61/36/553616136.db2.gz WTRIZCBHQDHDGU-SSVXIMEWSA-N 0 0 505.611 5.503 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019806074 553617777 /nfs/dbraw/zinc/61/77/77/553617777.db2.gz CIMUJSITVYCXNO-HLADLETHSA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000019830889 553622665 /nfs/dbraw/zinc/62/26/65/553622665.db2.gz AWYQMKYSPLIQKW-AFJIDDCJSA-N 0 0 517.622 5.560 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000019832344 553623051 /nfs/dbraw/zinc/62/30/51/553623051.db2.gz VNMRREGCGJJBHU-KBMIEXCESA-N 0 0 510.428 5.771 50 30 KKEARN COc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=N\c2cccc(C#N)c2)CCCN5CCC4)cc1OC ZINC000020237194 553623859 /nfs/dbraw/zinc/62/38/59/553623859.db2.gz SHHXJQZFEYBJAI-NMSHJFGGSA-N 0 0 520.589 5.505 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019848736 553623890 /nfs/dbraw/zinc/62/38/90/553623890.db2.gz XLUZFRMFDZZCMI-GIGWZHCTSA-N 0 0 508.574 5.742 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857813 553628706 /nfs/dbraw/zinc/62/87/06/553628706.db2.gz FPXVCADOXPZNIF-WUMKDDEVSA-N 0 0 523.651 5.251 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857936 553628878 /nfs/dbraw/zinc/62/88/78/553628878.db2.gz MQGFMTULSJHMJI-SXSPYAJSSA-N 0 0 511.615 5.381 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000019892400 553630873 /nfs/dbraw/zinc/63/08/73/553630873.db2.gz UBVOOTCRDMBWPR-WRONEBCDSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000019892519 553631088 /nfs/dbraw/zinc/63/10/88/553631088.db2.gz VZBTXNPAVDKOMJ-CCLHPLFOSA-N 0 0 510.030 6.062 50 30 KKEARN N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)cc21 ZINC000019894002 553631835 /nfs/dbraw/zinc/63/18/35/553631835.db2.gz RLEHHQRHCLOGJF-UHFFFAOYSA-N 0 0 500.385 7.028 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000019898372 553632293 /nfs/dbraw/zinc/63/22/93/553632293.db2.gz KMPOBCUKQRYRMZ-DEOSSOPVSA-N 0 0 516.391 5.770 50 30 KKEARN CC#Cc1ccc2c(c1)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c1cc(C#CC)ccc1-2 ZINC000071775080 553636817 /nfs/dbraw/zinc/63/68/17/553636817.db2.gz ZNUBKBKYSFWKMS-ACHIHNKUSA-N 0 0 522.861 11.181 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020322595 553637915 /nfs/dbraw/zinc/63/79/15/553637915.db2.gz GIZCCLNHARMUOO-DXPJPUQTSA-N 0 0 519.981 5.887 50 30 KKEARN CCCCOc1ccc(-c2c3c(N)c(C(=O)OCc4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1 ZINC000020391101 553645078 /nfs/dbraw/zinc/64/50/78/553645078.db2.gz VGRVJMQRJLCGBC-UHFFFAOYSA-N 0 0 507.015 6.189 50 30 KKEARN C=CCn1c2nnc(SCc3ccccc3F)n2c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000020440858 553649186 /nfs/dbraw/zinc/64/91/86/553649186.db2.gz AMKYVLBRYWMNOS-UHFFFAOYSA-N 0 0 517.655 5.281 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000079210047 553670252 /nfs/dbraw/zinc/67/02/52/553670252.db2.gz VGPDRXMMBPXTSF-QSSUKDSPSA-N 0 0 740.806 6.978 50 30 biogenic KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000020070012 553676128 /nfs/dbraw/zinc/67/61/28/553676128.db2.gz LVTQUFGCUVCNAT-GDLZYMKVSA-N 0 0 520.551 5.278 50 30 KKEARN COc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000083312614 553676703 /nfs/dbraw/zinc/67/67/03/553676703.db2.gz ZRELIVGMLSNTFN-JTMCVSSMSA-N 0 0 519.465 7.805 50 30 KKEARN C=CCSc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1-c1cccc(OC)c1 ZINC000085393117 553679433 /nfs/dbraw/zinc/67/94/33/553679433.db2.gz DLSLKIIKTKHVFC-UHFFFAOYSA-N 0 0 502.621 5.413 50 30 KKEARN CC(C)(C)c1cc2c(c(-c3cn(/N=C/c4ccccc4)c(NC(=O)Nc4ccccc4)n3)c1)CCC2(C)C ZINC000020616428 553680034 /nfs/dbraw/zinc/68/00/34/553680034.db2.gz SHBPHJQMALZLBT-FMFFXOCNSA-N 0 0 505.666 7.598 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000020090625 553686001 /nfs/dbraw/zinc/68/60/01/553686001.db2.gz GNQYQOYOTKMOMU-HXUWFJFHSA-N 0 0 501.837 6.008 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000020683025 553688273 /nfs/dbraw/zinc/68/82/73/553688273.db2.gz SGHRDYCIVAEEPX-QUPMIFSKSA-N 0 0 516.063 5.766 50 30 KKEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)C5CCCCC5)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085898581 553690936 /nfs/dbraw/zinc/69/09/36/553690936.db2.gz WDQNDXPFEWOQRR-ACVTZVOISA-N 0 0 805.918 5.410 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(OCc4ccc(F)cc4)cc32)cc1Cl ZINC000020727784 553690983 /nfs/dbraw/zinc/69/09/83/553690983.db2.gz OAVBYVUFTZMCMS-JBASAIQMSA-N 0 0 514.022 6.319 50 30 KKEARN COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1Br ZINC000020115419 553697107 /nfs/dbraw/zinc/69/71/07/553697107.db2.gz SYULOIQVQBNHSI-GONBZBRSSA-N 0 0 507.222 5.210 50 30 KKEARN CCCCOc1ccc(/C=C2\CN(CC)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000020115632 553697110 /nfs/dbraw/zinc/69/71/10/553697110.db2.gz QUIYKZLDAQBIPR-RIRMOVKSSA-N 0 0 535.725 7.213 50 30 KKEARN CC(C)N1C/C(=C\c2ccc(F)c(Br)c2)C(=O)/C(=C/c2ccc(F)c(Br)c2)C1 ZINC000020115384 553697118 /nfs/dbraw/zinc/69/71/18/553697118.db2.gz KNUKGMJFDRYSPG-GDWCLCACSA-N 0 0 511.204 6.250 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000095099920 553698040 /nfs/dbraw/zinc/69/80/40/553698040.db2.gz LPVXDPQBNQEEFD-XJBRANNNSA-N 0 0 520.496 7.403 50 30 KKEARN CCSc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000095100198 553698054 /nfs/dbraw/zinc/69/80/54/553698054.db2.gz DBRSKKQUXLRZAW-UHFFFAOYSA-N 0 0 607.311 6.598 50 30 KKEARN CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 ZINC000020849942 553699356 /nfs/dbraw/zinc/69/93/56/553699356.db2.gz LEPMCKXEYTYGQN-QHCPKHFHSA-N 0 0 505.600 5.535 50 30 KKEARN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC(=O)c4ccc(F)cc4)nn32)c1OC ZINC000020850051 553699615 /nfs/dbraw/zinc/69/96/15/553699615.db2.gz FEJJHRAXWLKHHD-QHCPKHFHSA-N 0 0 522.602 5.068 50 30 KKEARN Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850073 553699681 /nfs/dbraw/zinc/69/96/81/553699681.db2.gz CHHWKNWVBSTMDH-JOCHJYFZSA-N 0 0 509.473 6.299 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cc(C)ccc4C)nn32)cc1OC ZINC000020850601 553699858 /nfs/dbraw/zinc/69/98/58/553699858.db2.gz KRXRGBMQJWBUKL-RUZDIDTESA-N 0 0 504.656 5.863 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850611 553699946 /nfs/dbraw/zinc/69/99/46/553699946.db2.gz VARRSJMUGKNDNP-QHCPKHFHSA-N 0 0 513.494 7.152 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000095483804 553702140 /nfs/dbraw/zinc/70/21/40/553702140.db2.gz MEWYSNOZHBLNPL-XMMPIXPASA-N 0 0 509.990 5.003 50 30 KKEARN O=C(c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2[C@@H]2NN3C(c4cccc(C(F)(F)F)c4)=Cc4ccccc4[C@H]3NN12 ZINC000095660860 553706641 /nfs/dbraw/zinc/70/66/41/553706641.db2.gz USUULTHGZLQPGX-IOWSJCHKSA-N 0 0 604.554 7.798 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095671326 553707232 /nfs/dbraw/zinc/70/72/32/553707232.db2.gz QFGDWFOPCLTGAL-UHFFFAOYSA-N 0 0 566.173 6.342 50 30 KKEARN CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671301 553707257 /nfs/dbraw/zinc/70/72/57/553707257.db2.gz BREOHRVZEZMFOB-UHFFFAOYSA-N 0 0 516.426 9.816 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681641 553707424 /nfs/dbraw/zinc/70/74/24/553707424.db2.gz NOCLWIPRQIWFMR-IEBDJKFTSA-N 0 0 784.100 9.164 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)c1nc(C(F)(F)C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000095676811 553707475 /nfs/dbraw/zinc/70/74/75/553707475.db2.gz KXQUYHRRCVECPV-UHFFFAOYSA-N 0 0 585.111 6.740 50 30 KKEARN C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681837 553707809 /nfs/dbraw/zinc/70/78/09/553707809.db2.gz FIAHOPQKBBASOY-UHFFFAOYSA-N 0 0 618.177 7.386 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1 ZINC000095681879 553707970 /nfs/dbraw/zinc/70/79/70/553707970.db2.gz KVLHRMQNRDJRKW-GSVOUGTGSA-N 0 0 576.140 7.055 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]n1 ZINC000095686663 553708286 /nfs/dbraw/zinc/70/82/86/553708286.db2.gz SMELLBIIOURRAV-UHFFFAOYSA-N 0 0 504.115 6.259 50 30 KKEARN CC(c1ccc(OC(F)=C(F)F)cc1)(c1ccc(OC(F)=C(F)F)cc1)c1ccc(OC(F)=C(F)F)cc1 ZINC000095696970 553708425 /nfs/dbraw/zinc/70/84/25/553708425.db2.gz XAUHHCMRFFGRMF-UHFFFAOYSA-N 0 0 546.385 9.283 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095704643 553709226 /nfs/dbraw/zinc/70/92/26/553709226.db2.gz UOTZMJCKOUXXKZ-UHFFFAOYSA-N 0 0 580.281 8.650 50 30 KKEARN CCOC(=O)C[C@@]1(C(=O)OCC)C[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O ZINC000095707884 553709683 /nfs/dbraw/zinc/70/96/83/553709683.db2.gz ZXPKQENNVJKVQL-PRHODGIISA-N 0 0 676.316 6.204 50 30 KKEARN O=C1O[C@H](C/C(=N/N=C(/C[C@H]2OC(=O)c3ccccc32)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000095719301 553709818 /nfs/dbraw/zinc/70/98/18/553709818.db2.gz UNXIQXFQZXIADY-JGSYXTDASA-N 0 0 590.548 6.300 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)NC(Oc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000095722597 553710057 /nfs/dbraw/zinc/71/00/57/553710057.db2.gz FXONQMPFUWYJHM-SFHVURJKSA-N 0 0 596.374 5.169 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000095892002 553714687 /nfs/dbraw/zinc/71/46/87/553714687.db2.gz PYYQKQLMMBKIRL-HSZRJFAPSA-N 0 0 524.415 5.103 50 30 KKEARN CCc1ccc(C(C)(C)c2[nH]c3cc(C#N)ccc3c2C(=O)OC(C)(C)C)cc1I ZINC000095938337 553715258 /nfs/dbraw/zinc/71/52/58/553715258.db2.gz QJJFMODIDDQXRV-UHFFFAOYSA-N 0 0 514.407 6.488 50 30 KKEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(-c3cccs3)n2CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)c1C#N ZINC000096019464 553716321 /nfs/dbraw/zinc/71/63/21/553716321.db2.gz MQRNTYWPFVPFNG-UHFFFAOYSA-N 0 0 697.935 7.967 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000096019543 553716578 /nfs/dbraw/zinc/71/65/78/553716578.db2.gz BUEWVDJDRFFMFD-UZYVYHOESA-N 0 0 511.176 7.139 50 30 KKEARN CC(=O)Nc1ccc(Nc2cc(Sc3ccc([N+](=O)[O-])cc3)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000096022911 553723109 /nfs/dbraw/zinc/72/31/09/553723109.db2.gz GVAZINOYWBRCHR-UHFFFAOYSA-N 0 0 656.514 6.920 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=N)NN=C(C)c3ccc(Cl)cc3)C2=O)cc1 ZINC000022033431 553723272 /nfs/dbraw/zinc/72/32/72/553723272.db2.gz OONVFLYVBLMCJW-YGYFLSRZSA-N 0 0 501.052 5.613 50 30 KKEARN COc1ccc(/C=N/N(C)c2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1OC ZINC000022591031 553747802 /nfs/dbraw/zinc/74/78/02/553747802.db2.gz WYKCNPHRPLQEMS-OGLMXYFKSA-N 0 0 503.400 6.061 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000096299845 553748737 /nfs/dbraw/zinc/74/87/37/553748737.db2.gz TXMDMOSDDYJOIA-JOCHJYFZSA-N 0 0 500.382 5.257 50 30 KKEARN Cc1cc2c(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c(-c3ccccc3)[nH]c2c(C)c1 ZINC000022827568 553753623 /nfs/dbraw/zinc/75/36/23/553753623.db2.gz AUFKUCBGJZWANX-HNSNBQBZSA-N 0 0 503.671 8.395 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000097939742 553760800 /nfs/dbraw/zinc/76/08/00/553760800.db2.gz CELSLVSRAQJBLD-YPLOMLCWSA-N 0 0 579.715 5.184 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000097939771 553761026 /nfs/dbraw/zinc/76/10/26/553761026.db2.gz TXBYDRWLUHDEGH-LYZGTLIUSA-N 0 0 544.629 5.949 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000097939764 553761088 /nfs/dbraw/zinc/76/10/88/553761088.db2.gz FZIJOJCAIICSRZ-XRHLQHRESA-N 0 0 600.506 5.502 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939797 553761285 /nfs/dbraw/zinc/76/12/85/553761285.db2.gz WUPOFSCADWGEGG-IANOAQMISA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000097939816 553761568 /nfs/dbraw/zinc/76/15/68/553761568.db2.gz KZLPNLQWWXMICX-SMSORMJASA-N 0 0 543.063 6.666 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939832 553761636 /nfs/dbraw/zinc/76/16/36/553761636.db2.gz LMMODBDYLBQRDJ-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939847 553761857 /nfs/dbraw/zinc/76/18/57/553761857.db2.gz CXAYAJDXPWOPMS-JPQMRUPTSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939849 553761882 /nfs/dbraw/zinc/76/18/82/553761882.db2.gz CXAYAJDXPWOPMS-JIYROHSKSA-N 0 0 568.670 6.111 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939884 553762143 /nfs/dbraw/zinc/76/21/43/553762143.db2.gz TWSNABHYICVZOA-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939921 553762464 /nfs/dbraw/zinc/76/24/64/553762464.db2.gz WWIACQZUVKKUKA-RBBQXQBVSA-N 0 0 582.697 6.420 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097939903 553762502 /nfs/dbraw/zinc/76/25/02/553762502.db2.gz JFZLZIKIAFJBJO-ICACTRECSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(Br)cc2)cc1OC ZINC000097939927 553762538 /nfs/dbraw/zinc/76/25/38/553762538.db2.gz GZWVWGLQEYCUDL-SMSORMJASA-N 0 0 587.514 6.775 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939946 553762759 /nfs/dbraw/zinc/76/27/59/553762759.db2.gz IVZTYOILNKORQH-FLASPHMUSA-N 0 0 598.696 6.120 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939982 553762985 /nfs/dbraw/zinc/76/29/85/553762985.db2.gz VPDSTZFMMLEODU-URAOTHONSA-N 0 0 567.663 6.147 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000097940005 553763300 /nfs/dbraw/zinc/76/33/00/553763300.db2.gz GCEOMUVANKVBLZ-DSSGHVNRSA-N 0 0 549.689 5.175 50 30 KKEARN N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000097940202 553763735 /nfs/dbraw/zinc/76/37/35/553763735.db2.gz QZGCKBLTUUPCTI-UHFFFAOYSA-N 0 0 519.633 5.224 50 30 KKEARN FC(F)(F)C(c1nc(Nc2ccc(I)cc2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000097940233 553764043 /nfs/dbraw/zinc/76/40/43/553764043.db2.gz JVOQLXWAGUNBFV-UHFFFAOYSA-N 0 0 734.123 8.069 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(F)cc2F)nsc1SCC(=O)Nc1ccc(F)cc1F ZINC000097940246 553764156 /nfs/dbraw/zinc/76/41/56/553764156.db2.gz SQLACWVGEONUHM-UHFFFAOYSA-N 0 0 512.535 5.033 50 30 KKEARN O=C(NCc1c(F)cccc1F)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940549 553766146 /nfs/dbraw/zinc/76/61/46/553766146.db2.gz LMLIVYFVROEYRR-UHFFFAOYSA-N 0 0 525.399 6.785 50 30 KKEARN O=C(N1CCN(c2nccc(-c3ccc(Oc4ccccc4)cc3)n2)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000097940638 553766685 /nfs/dbraw/zinc/76/66/85/553766685.db2.gz SXRXUGYQWCVOIA-UHFFFAOYSA-N 0 0 528.428 5.417 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(F)cc2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000097941684 553767493 /nfs/dbraw/zinc/76/74/93/553767493.db2.gz BUEMRBLPONZFRY-UHFFFAOYSA-N 0 0 595.515 7.959 50 30 KKEARN O=c1c(/C=N/N=C2\SC(=N\c3ccccc3)/C(=N/c3ccccc3)N2c2ccccc2)coc2ccccc21 ZINC000097944564 553770166 /nfs/dbraw/zinc/77/01/66/553770166.db2.gz FFNWNDOQEQIPOG-DYIMBKLMSA-N 0 0 527.609 7.197 50 30 KKEARN CCSC(=N\N=C\c1ccccc1)/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097944560 553770210 /nfs/dbraw/zinc/77/02/10/553770210.db2.gz GLTULEACZYJTKY-BFXGJSROSA-N 0 0 546.725 8.199 50 30 KKEARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OCc2ccccc2C#N)cc1Br ZINC000097944929 553770338 /nfs/dbraw/zinc/77/03/38/553770338.db2.gz USERGPVIEFPFQP-UCQKPKSFSA-N 0 0 530.422 6.495 50 30 KKEARN CCCCCCCCCCCCCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097945237 553770646 /nfs/dbraw/zinc/77/06/46/553770646.db2.gz NOBRHLLQMLKYTD-NPYONTDKSA-N 0 0 515.694 6.733 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2c1ccc(F)cc1 ZINC000097945358 553771705 /nfs/dbraw/zinc/77/17/05/553771705.db2.gz TVHWFZQQWXXTEP-SANMLTNESA-N 0 0 524.423 7.981 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1ccc(-c3nc4ccccc4s3)s1)CN(Cc1ccccc1)CC2 ZINC000023230154 553771728 /nfs/dbraw/zinc/77/17/28/553771728.db2.gz NCQQAPQZZOKUGG-UHFFFAOYSA-N 0 0 512.685 6.769 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000097945652 553773671 /nfs/dbraw/zinc/77/36/71/553773671.db2.gz PGQPWJLEXVHILY-WENCNXQZSA-N 0 0 533.499 8.211 50 30 KKEARN CCCCN(Cc1ccccc1)C(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000023436911 553777036 /nfs/dbraw/zinc/77/70/36/553777036.db2.gz OMYYLGSWWBIYGF-UHFFFAOYSA-N 0 0 505.416 5.660 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023440086 553778225 /nfs/dbraw/zinc/77/82/25/553778225.db2.gz GEDYIYYGUQOTNY-JGCGQSQUSA-N 0 0 522.693 5.193 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000097946643 553780762 /nfs/dbraw/zinc/78/07/62/553780762.db2.gz NKBZSYBOCGVJKB-SGXATFQXSA-N 0 0 512.745 5.739 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S ZINC000097946674 553781159 /nfs/dbraw/zinc/78/11/59/553781159.db2.gz QVSPDXNXBQTBAE-XHPQRKPJSA-N 0 0 515.704 7.847 50 30 KKEARN O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097946874 553782144 /nfs/dbraw/zinc/78/21/44/553782144.db2.gz FQAFCQWGELSHSA-ZJTIKOGTSA-N 0 0 537.870 7.589 50 30 KKEARN Cc1ccsc1C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023451318 553782242 /nfs/dbraw/zinc/78/22/42/553782242.db2.gz NQVUDWPIECZZOU-MUUNZHRXSA-N 0 0 514.695 5.244 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947030 553783104 /nfs/dbraw/zinc/78/31/04/553783104.db2.gz CUVPGLKYFVEWJH-QUHSPFQSSA-N 0 0 527.882 5.579 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)cc1OC ZINC000097947372 553785811 /nfs/dbraw/zinc/78/58/11/553785811.db2.gz HCSRXNNSXISUDJ-QOMWVZHYSA-N 0 0 521.683 5.902 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O/N=c2/oc3cc4c(cc3c(C)c2Cc2ccccc2)CCC2(CCCCC2)O4)C(C)C)cc1 ZINC000097947524 553786833 /nfs/dbraw/zinc/78/68/33/553786833.db2.gz MRSFYCGFUYCFGJ-IWQWQQFPSA-N 0 0 642.818 7.030 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947654 553787783 /nfs/dbraw/zinc/78/77/83/553787783.db2.gz UVFMDASLWCGWNE-ADUBFANXSA-N 0 0 660.752 5.141 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947670 553788061 /nfs/dbraw/zinc/78/80/61/553788061.db2.gz HLQZWHSSYMJXQK-SUAMDDGLSA-N 0 0 609.487 5.457 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@H]2c2cccc(OC)c2)nc1C ZINC000024193148 553790286 /nfs/dbraw/zinc/79/02/86/553790286.db2.gz RQAQDPZQKABVSU-HXUWFJFHSA-N 0 0 519.604 5.470 50 30 KKEARN CCCCN1CCS(=O)(=O)c2c(Cl)c(Oc3c(C)cccc3C)nc(Oc3ccc(C#N)cc3)c21 ZINC000024615375 553790983 /nfs/dbraw/zinc/79/09/83/553790983.db2.gz ITENBXBWWBIRPV-UHFFFAOYSA-N 0 0 512.031 6.202 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@H](CC)C4)sc2C1 ZINC000097948147 553791522 /nfs/dbraw/zinc/79/15/22/553791522.db2.gz OJDQYENPPYPBND-HDICACEKSA-N 0 0 554.807 6.673 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000097948211 553792029 /nfs/dbraw/zinc/79/20/29/553792029.db2.gz TWUNGQXFURUYFL-BNHRFMORSA-N 0 0 557.532 8.238 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097948200 553792084 /nfs/dbraw/zinc/79/20/84/553792084.db2.gz KKARNHLYDZAFDA-UHFFFAOYSA-N 0 0 556.859 6.075 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000097948324 553793209 /nfs/dbraw/zinc/79/32/09/553793209.db2.gz GFOTYEIGTPUQFY-GOXGLGGOSA-N 0 0 563.495 7.972 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(Cc2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948571 553794994 /nfs/dbraw/zinc/79/49/94/553794994.db2.gz FLWSYWGXQYTHEH-LHAPQZOASA-N 0 0 581.587 9.865 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3cccc4cccnc43)cc2)c1 ZINC000025147172 553795614 /nfs/dbraw/zinc/79/56/14/553795614.db2.gz XGZQEZONOWJYMZ-XFAILSGYSA-N 0 0 505.643 6.613 50 30 KKEARN CCOC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097948683 553795770 /nfs/dbraw/zinc/79/57/70/553795770.db2.gz OQWLRDCULZYCOU-UHFFFAOYSA-N 0 0 593.258 6.514 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097948910 553797612 /nfs/dbraw/zinc/79/76/12/553797612.db2.gz FWPWYRSXUVWAGO-WEZXKFLESA-N 0 0 614.695 6.049 50 30 KKEARN CC(C)(C)c1cc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000097948971 553798225 /nfs/dbraw/zinc/79/82/25/553798225.db2.gz JHRDMCPAFWRGOW-HUBRWUETSA-N 0 0 622.806 9.402 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097949088 553799317 /nfs/dbraw/zinc/79/93/17/553799317.db2.gz HTHYMTDULWXGKP-JWRCQZCYSA-N 0 0 642.627 6.201 50 30 KKEARN C=CC[C@@]1(C#N)C(SCC(=O)c2ccccc2)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000097949604 553802523 /nfs/dbraw/zinc/80/25/23/553802523.db2.gz UJXDTAVPQGUZOI-UHSQPCAPSA-N 0 0 547.518 7.290 50 30 KKEARN C=CC[C@@]1(C#N)C(SCC(=O)c2ccccc2)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000097949603 553802658 /nfs/dbraw/zinc/80/26/58/553802658.db2.gz UJXDTAVPQGUZOI-WNJJXGMVSA-N 0 0 547.518 7.290 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097949665 553802780 /nfs/dbraw/zinc/80/27/80/553802780.db2.gz RTAUFJNZUXTZAX-YTTGMZPUSA-N 0 0 547.611 7.241 50 30 KKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950703 553805238 /nfs/dbraw/zinc/80/52/38/553805238.db2.gz HZHMWMZVWNXOTM-OAHLLOKOSA-N 0 0 550.721 5.751 50 30 KKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950704 553805287 /nfs/dbraw/zinc/80/52/87/553805287.db2.gz HZHMWMZVWNXOTM-HNNXBMFYSA-N 0 0 550.721 5.751 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097950772 553805501 /nfs/dbraw/zinc/80/55/01/553805501.db2.gz ODLLPOLMEZBIRH-SANMLTNESA-N 0 0 573.074 9.030 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(N2C(F)(F)C(F)(F)N([C@@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950858 553805680 /nfs/dbraw/zinc/80/56/80/553805680.db2.gz OKRIXSRLBMZBED-ROUUACIJSA-N 0 0 728.384 6.726 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(N2C(F)(F)C(F)(F)N([C@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950860 553805736 /nfs/dbraw/zinc/80/57/36/553805736.db2.gz OKRIXSRLBMZBED-QZTJIDSGSA-N 0 0 728.384 6.726 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000097950912 553805978 /nfs/dbraw/zinc/80/59/78/553805978.db2.gz HEROXKGNKBSSNW-QFIPXVFZSA-N 0 0 541.004 8.016 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097950931 553806252 /nfs/dbraw/zinc/80/62/52/553806252.db2.gz NFHCOPUJULVMHB-JOCHJYFZSA-N 0 0 591.904 9.184 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000097951074 553807072 /nfs/dbraw/zinc/80/70/72/553807072.db2.gz NPPOWWAVLLTMKO-YTMVLYRLSA-N 0 0 519.483 8.041 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951305 553808103 /nfs/dbraw/zinc/80/81/03/553808103.db2.gz VDRIMISVEOKQGD-MHZLTWQESA-N 0 0 546.620 5.373 50 30 KKEARN N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc([N+](=O)[O-])cc1 ZINC000025424736 553808952 /nfs/dbraw/zinc/80/89/52/553808952.db2.gz PPXYFOOJYWBNGV-SILNSSARSA-N 0 0 518.529 5.687 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097951459 553809074 /nfs/dbraw/zinc/80/90/74/553809074.db2.gz ZYLJBWTYYLJGAN-FQEVSTJZSA-N 0 0 536.264 5.132 50 30 KKEARN O=C(NN1/C(=N/c2ccccc2)SC[C@@]1(O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000025560109 553810111 /nfs/dbraw/zinc/81/01/11/553810111.db2.gz ISJZZBUXMOFOIT-CKVBZJJFSA-N 0 0 502.821 5.329 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097951656 553810514 /nfs/dbraw/zinc/81/05/14/553810514.db2.gz RWWFUDKEKKZVSK-AREMUKBSSA-N 0 0 540.443 6.496 50 30 KKEARN O=C(NN1/C(=N\c2ccc(Br)cc2)SC[C@]1(O)c1ccccc1)c1cccc(Cl)c1 ZINC000025579903 553811416 /nfs/dbraw/zinc/81/14/16/553811416.db2.gz NQEMHMXQJARXQU-SCIJIFGBSA-N 0 0 502.821 5.329 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097952143 553813410 /nfs/dbraw/zinc/81/34/10/553813410.db2.gz FBIYOIPRBILANE-XMMPIXPASA-N 0 0 516.107 6.430 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097952177 553813800 /nfs/dbraw/zinc/81/38/00/553813800.db2.gz SJVJCVCNHGMNNW-JOCHJYFZSA-N 0 0 535.419 6.159 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000097952191 553813811 /nfs/dbraw/zinc/81/38/11/553813811.db2.gz YWGQJLVWIHVMME-MUUNZHRXSA-N 0 0 537.568 5.732 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952444 553815671 /nfs/dbraw/zinc/81/56/71/553815671.db2.gz HEAFGJUKBSHDIM-AREMUKBSSA-N 0 0 528.630 6.439 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952549 553816641 /nfs/dbraw/zinc/81/66/41/553816641.db2.gz UDTHFYCXQCZIQD-QFIPXVFZSA-N 0 0 536.631 5.729 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952565 553816706 /nfs/dbraw/zinc/81/67/06/553816706.db2.gz MPYLMNYTOWUMFF-QHCPKHFHSA-N 0 0 535.021 6.312 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952589 553817127 /nfs/dbraw/zinc/81/71/27/553817127.db2.gz DGQQUQDONUWWLS-SANMLTNESA-N 0 0 526.614 6.215 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952954 553818096 /nfs/dbraw/zinc/81/80/96/553818096.db2.gz QHYMFADKHGJUSJ-SANMLTNESA-N 0 0 542.613 5.982 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000026459107 553818540 /nfs/dbraw/zinc/81/85/40/553818540.db2.gz TZAFPMZIHSJRFW-AREMUKBSSA-N 0 0 523.557 5.783 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097953048 553818866 /nfs/dbraw/zinc/81/88/66/553818866.db2.gz NRSQCUIRNSRHIV-UDNBHOFDSA-N 0 0 545.635 6.410 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097953016 553818951 /nfs/dbraw/zinc/81/89/51/553818951.db2.gz NJZVODNBRZHWFD-NDEPHWFRSA-N 0 0 547.604 5.797 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000097953057 553819139 /nfs/dbraw/zinc/81/91/39/553819139.db2.gz HFSCGEJKSQEHRG-JOCHJYFZSA-N 0 0 547.382 5.263 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000097953065 553819194 /nfs/dbraw/zinc/81/91/94/553819194.db2.gz ABHGJMTYXRROJJ-UHFFFAOYSA-N 0 0 534.125 6.937 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2Cc1ccccc1 ZINC000097954116 553821340 /nfs/dbraw/zinc/82/13/40/553821340.db2.gz SRSRZBPGNHMUGP-DEOSSOPVSA-N 0 0 524.461 5.422 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097954166 553821575 /nfs/dbraw/zinc/82/15/75/553821575.db2.gz CMQBZDACFWOFTQ-JRPXNJEYSA-N 0 0 541.644 6.366 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954195 553821859 /nfs/dbraw/zinc/82/18/59/553821859.db2.gz SJTHBNNJFSFNRK-ACSYHNTCSA-N 0 0 543.616 5.212 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097954210 553822248 /nfs/dbraw/zinc/82/22/48/553822248.db2.gz POLRXYYRCQYUSE-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097954415 553822816 /nfs/dbraw/zinc/82/28/16/553822816.db2.gz RAPSEPAVQXGILY-DFXYEROKSA-N 0 0 541.644 6.366 50 30 KKEARN CCCCCCCSc1nnc2n1-c1nnc(SCCCCCCC)n1-c1sc3c(c1-2)CC[C@@H](C)C3 ZINC000097954561 553824226 /nfs/dbraw/zinc/82/42/26/553824226.db2.gz FTZYAPMSKRAIEU-LJQANCHMSA-N 0 0 544.860 8.140 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2ccc(C)cc2)c(OCC)c1 ZINC000027023785 553824348 /nfs/dbraw/zinc/82/43/48/553824348.db2.gz NMIRKOGXVMLVII-UHFFFAOYSA-N 0 0 531.605 5.306 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097954696 553824736 /nfs/dbraw/zinc/82/47/36/553824736.db2.gz KSJAQEPOECWBPX-PMERELPUSA-N 0 0 548.724 8.654 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000097954686 553824750 /nfs/dbraw/zinc/82/47/50/553824750.db2.gz RJFAMDUVGXQSDU-NDEPHWFRSA-N 0 0 544.570 5.314 50 30 KKEARN CC(=NNc1cc(-c2ccccc2)c2cc(Br)ccc2n1)c1c2ccccc2cc2ccccc21 ZINC000027471785 553826038 /nfs/dbraw/zinc/82/60/38/553826038.db2.gz KUDQXTXYCCNYHQ-GXBUFBABSA-N 0 0 516.442 8.807 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000027496548 553826432 /nfs/dbraw/zinc/82/64/32/553826432.db2.gz BFAVORDNHSITCX-ZWBTVFMKSA-N 0 0 501.373 8.597 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955034 553827488 /nfs/dbraw/zinc/82/74/88/553827488.db2.gz NEPSPYLXSDQMNY-PWECECGKSA-N 0 0 546.576 5.559 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955019 553827529 /nfs/dbraw/zinc/82/75/29/553827529.db2.gz LACSRIVUSLOSCQ-JYRCXFKTSA-N 0 0 588.657 6.729 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955022 553827555 /nfs/dbraw/zinc/82/75/55/553827555.db2.gz HXKXCGDYAOBFQG-YHAMSUFESA-N 0 0 545.060 7.179 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955074 553828391 /nfs/dbraw/zinc/82/83/91/553828391.db2.gz YFNVHVSNWPDBPD-DXPJPUQTSA-N 0 0 542.613 5.810 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000027522351 553828804 /nfs/dbraw/zinc/82/88/04/553828804.db2.gz MMFJCPPJQUIWNP-KUEVPICXSA-N 0 0 517.960 6.519 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955117 553828808 /nfs/dbraw/zinc/82/88/08/553828808.db2.gz XTCCZDXGNQAXNB-SGANQWHYSA-N 0 0 547.032 6.455 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522420 553828980 /nfs/dbraw/zinc/82/89/80/553828980.db2.gz KXCIKJOGFWBKTB-JVEWKGNHSA-N 0 0 522.026 5.677 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955135 553829040 /nfs/dbraw/zinc/82/90/40/553829040.db2.gz MVMDIRUTSOXQNM-RBSBEOHCSA-N 0 0 602.684 6.975 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955159 553829090 /nfs/dbraw/zinc/82/90/90/553829090.db2.gz GJHVHEAQXNVGJE-DFXYEROKSA-N 0 0 541.644 6.019 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955148 553829114 /nfs/dbraw/zinc/82/91/14/553829114.db2.gz CQFYQYZEIRGOQV-ODCWNRFASA-N 0 0 530.577 5.940 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955152 553829158 /nfs/dbraw/zinc/82/91/58/553829158.db2.gz OQDXHXHTRSTLSH-DFXYEROKSA-N 0 0 532.596 5.763 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955179 553829347 /nfs/dbraw/zinc/82/93/47/553829347.db2.gz HPVCZNGJTYIQHD-PWECECGKSA-N 0 0 563.031 6.160 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955163 553829545 /nfs/dbraw/zinc/82/95/45/553829545.db2.gz DBJNMHIIWNKVFE-QUGAMOGWSA-N 0 0 526.614 6.028 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097955218 553829858 /nfs/dbraw/zinc/82/98/58/553829858.db2.gz VHGSHLRJPVXKPD-WGDIFIGCSA-N 0 0 526.614 6.110 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955239 553830137 /nfs/dbraw/zinc/83/01/37/553830137.db2.gz MXWUXHVHVOHHSL-PUAOIOHZSA-N 0 0 531.033 6.673 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097955257 553830298 /nfs/dbraw/zinc/83/02/98/553830298.db2.gz MPKQYPFDDFPIID-GDLZYMKVSA-N 0 0 608.716 7.027 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097955234 553830357 /nfs/dbraw/zinc/83/03/57/553830357.db2.gz OCUAPFYXMXACSF-HHHXNRCGSA-N 0 0 582.678 6.471 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955250 553830395 /nfs/dbraw/zinc/83/03/95/553830395.db2.gz FVPXETVHVVYOPQ-UDNBHOFDSA-N 0 0 569.698 6.799 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955599 553831669 /nfs/dbraw/zinc/83/16/69/553831669.db2.gz HHSAHDPRDVBNNE-NPMXOYFQSA-N 0 0 548.617 5.133 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955626 553832023 /nfs/dbraw/zinc/83/20/23/553832023.db2.gz ZQNINOHOGRILDT-ODCWNRFASA-N 0 0 528.586 5.420 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097955612 553832047 /nfs/dbraw/zinc/83/20/47/553832047.db2.gz RMWCCLOOBRJDTN-PBBNMVCDSA-N 0 0 535.600 5.667 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000097955647 553832401 /nfs/dbraw/zinc/83/24/01/553832401.db2.gz KHFKIBALSXSCIY-OWJWWREXSA-N 0 0 550.405 5.265 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955685 553832740 /nfs/dbraw/zinc/83/27/40/553832740.db2.gz PYEUIRYLLVTZGS-IZHWHUGBSA-N 0 0 527.558 5.619 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955677 553832759 /nfs/dbraw/zinc/83/27/59/553832759.db2.gz JJLFDHGUIZXSBS-QMTYFTJSSA-N 0 0 542.613 5.728 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547422 553833055 /nfs/dbraw/zinc/83/30/55/553833055.db2.gz GFBPNEGEURKNGS-QFIPXVFZSA-N 0 0 506.927 6.741 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955730 553833110 /nfs/dbraw/zinc/83/31/10/553833110.db2.gz RAGZBCVUFQDARK-CGKQSPDFSA-N 0 0 636.701 7.519 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097955708 553833115 /nfs/dbraw/zinc/83/31/15/553833115.db2.gz FZJADHXKGAOPQK-NGOKVRLYSA-N 0 0 545.636 5.063 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097955705 553833122 /nfs/dbraw/zinc/83/31/22/553833122.db2.gz FZJADHXKGAOPQK-WTYVLRPYSA-N 0 0 545.636 5.063 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547984 553833252 /nfs/dbraw/zinc/83/32/52/553833252.db2.gz HKEGNEQQDFIFLJ-FQRUVTKNSA-N 0 0 503.524 6.101 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955758 553833515 /nfs/dbraw/zinc/83/35/15/553833515.db2.gz GZTNQWAAWSLBJQ-ACSYHNTCSA-N 0 0 542.632 5.761 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097955733 553833592 /nfs/dbraw/zinc/83/35/92/553833592.db2.gz VCNIPFSHEWPWKK-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955850 553834714 /nfs/dbraw/zinc/83/47/14/553834714.db2.gz BSHIIZCSTUITQC-ODCWNRFASA-N 0 0 528.586 5.420 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000027551681 553834734 /nfs/dbraw/zinc/83/47/34/553834734.db2.gz MZOPZCHZUNTRSM-GVXSCFBNSA-N 0 0 524.013 5.063 50 30 KKEARN C[C@@H](NC(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)c1ccc(Br)cc1 ZINC000097956113 553836029 /nfs/dbraw/zinc/83/60/29/553836029.db2.gz IOCGWTQKEIYFMC-CYBMUJFWSA-N 0 0 542.231 5.471 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097956223 553837081 /nfs/dbraw/zinc/83/70/81/553837081.db2.gz MMFSSAASUWTSEJ-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956535 553839445 /nfs/dbraw/zinc/83/94/45/553839445.db2.gz HATVPPTZTQFWCZ-HWRSSNJWSA-N 0 0 544.585 5.125 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)cc1 ZINC000097956635 553840437 /nfs/dbraw/zinc/84/04/37/553840437.db2.gz UQKRHVLZSKKMBQ-UHFFFAOYSA-N 0 0 542.665 5.634 50 30 KKEARN COc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)cc1 ZINC000097956738 553841084 /nfs/dbraw/zinc/84/10/84/553841084.db2.gz BESMKHOLVFYFEE-UHFFFAOYSA-N 0 0 528.638 5.244 50 30 KKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000097956867 553842511 /nfs/dbraw/zinc/84/25/11/553842511.db2.gz RLVOQMSDBYZKJP-UHFFFAOYSA-N 0 0 539.501 7.177 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956850 553842568 /nfs/dbraw/zinc/84/25/68/553842568.db2.gz RRFYTZYQLGAWPN-JOCHJYFZSA-N 0 0 536.606 5.127 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956865 553842638 /nfs/dbraw/zinc/84/26/38/553842638.db2.gz LMUUCLHAOZOOHK-HHHXNRCGSA-N 0 0 582.678 6.471 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000028632185 553843366 /nfs/dbraw/zinc/84/33/66/553843366.db2.gz JSBMPJFLPMOBMQ-IURWMYGYSA-N 0 0 512.356 7.239 50 30 KKEARN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000029493118 553846192 /nfs/dbraw/zinc/84/61/92/553846192.db2.gz DTVHRBHHEKFXJY-HSZRJFAPSA-N 0 0 574.731 6.719 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccc(OC)c1 ZINC000029747323 553846990 /nfs/dbraw/zinc/84/69/90/553846990.db2.gz SLYNMLYTWYLAPB-UHFFFAOYSA-N 0 0 544.644 6.713 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097957663 553847414 /nfs/dbraw/zinc/84/74/14/553847414.db2.gz XCHLKHZCISXQPT-SRTOOPEESA-N 0 0 660.796 6.005 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3cc(C)ccc3C)c(OCC)c2)SC1=S ZINC000097957878 553849132 /nfs/dbraw/zinc/84/91/32/553849132.db2.gz PIZHQKKTAPVQOH-JCMHNJIXSA-N 0 0 548.524 6.310 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000029747947 553849217 /nfs/dbraw/zinc/84/92/17/553849217.db2.gz BHCXWBVXWFKDBI-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000097957993 553850193 /nfs/dbraw/zinc/85/01/93/553850193.db2.gz UNFZNVUGNHBLQR-IPBVOBEMSA-N 0 0 534.241 6.502 50 30 KKEARN CC(=[NH+]CCN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000097958019 553850547 /nfs/dbraw/zinc/85/05/47/553850547.db2.gz KWMMCWPIARMIJM-QXUDOOCXSA-N 0 0 634.593 6.408 50 30 KKEARN COc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000097958058 553850852 /nfs/dbraw/zinc/85/08/52/553850852.db2.gz OFPNIINBLLUNTR-ZZIIXHQDSA-N 0 0 627.640 9.309 50 30 KKEARN CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1O ZINC000097958063 553850878 /nfs/dbraw/zinc/85/08/78/553850878.db2.gz RTMKJOWHWVCCFJ-DHRITJCHSA-N 0 0 518.205 6.319 50 30 KKEARN CCCCCCc1ccc(OCCOc2ccccc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1 ZINC000097958055 553850892 /nfs/dbraw/zinc/85/08/92/553850892.db2.gz QFTCWUPROMFTIN-JJNGWGCYSA-N 0 0 556.755 6.704 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccccc3C#N)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000097958717 553857137 /nfs/dbraw/zinc/85/71/37/553857137.db2.gz LSZYMZROZHRAGU-VPHSIRQSSA-N 0 0 660.615 5.733 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097958895 553858738 /nfs/dbraw/zinc/85/87/38/553858738.db2.gz CFQIBWHCZPIQQG-RNMHXKJMSA-N 0 0 556.471 6.331 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000031829217 553862117 /nfs/dbraw/zinc/86/21/17/553862117.db2.gz CRDLUNPCMZMLKQ-YKQZZPSBSA-N 0 0 501.631 6.802 50 30 KKEARN O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000097959333 553862894 /nfs/dbraw/zinc/86/28/94/553862894.db2.gz NRYGUJZQUXXZQN-UHFFFAOYSA-N 0 0 562.657 6.360 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000097959504 553864261 /nfs/dbraw/zinc/86/42/61/553864261.db2.gz POAOMGCJLCFMHA-JXNKHVOESA-N 0 0 555.099 8.122 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959656 553865208 /nfs/dbraw/zinc/86/52/08/553865208.db2.gz GUSZILCBOLOTGQ-FKMACVBZSA-N 0 0 563.676 5.314 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959685 553865469 /nfs/dbraw/zinc/86/54/69/553865469.db2.gz MRWXXYWRTBGBJB-NAEKRMDMSA-N 0 0 525.961 5.011 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1OCCSc1cccc2ccccc21 ZINC000097959762 553866148 /nfs/dbraw/zinc/86/61/48/553866148.db2.gz RLVAAKHYCQAMJU-JGRMKTMXSA-N 0 0 614.772 5.319 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000097959841 553866458 /nfs/dbraw/zinc/86/64/58/553866458.db2.gz WTGIIJJQAMZKGT-PIKZIKFNSA-N 0 0 661.627 7.365 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 ZINC000097959855 553866850 /nfs/dbraw/zinc/86/68/50/553866850.db2.gz IJBVAVWFAAZFOS-PVAZPRTOSA-N 0 0 613.636 7.581 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000097960096 553868032 /nfs/dbraw/zinc/86/80/32/553868032.db2.gz ZGRGGQNMKQLNFF-WSDLNYQXSA-N 0 0 555.372 5.773 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000097960089 553868065 /nfs/dbraw/zinc/86/80/65/553868065.db2.gz MVFKLJQCWNOYBM-ZTKZIYFRSA-N 0 0 601.700 5.527 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000097960097 553868076 /nfs/dbraw/zinc/86/80/76/553868076.db2.gz GXGIBTUDKGMLSS-MHWRWJLKSA-N 0 0 606.198 5.491 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000097960111 553868243 /nfs/dbraw/zinc/86/82/43/553868243.db2.gz BSAVBQCSJMZEAN-AQBZCYANSA-N 0 0 542.151 7.013 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)cc1Br ZINC000097960109 553868259 /nfs/dbraw/zinc/86/82/59/553868259.db2.gz IWUQNXQGVUZGPU-YVLHZVERSA-N 0 0 554.260 5.354 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097960144 553868552 /nfs/dbraw/zinc/86/85/52/553868552.db2.gz FDTIBAMKFYCJKG-NHDPSOOVSA-N 0 0 527.502 7.105 50 30 KKEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000097960145 553868612 /nfs/dbraw/zinc/86/86/12/553868612.db2.gz ALCMWRQADNWETA-LICLKQGHSA-N 0 0 570.715 7.501 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cc2cc(Br)ccc2o1 ZINC000032579580 553869384 /nfs/dbraw/zinc/86/93/84/553869384.db2.gz IHNHKDOAPDVMLU-UHFFFAOYSA-N 0 0 501.381 5.818 50 30 KKEARN N#Cc1ccccc1COc1c(Br)cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000097960415 553871323 /nfs/dbraw/zinc/87/13/23/553871323.db2.gz AEZIOMDXYQISLQ-KEBDBYFISA-N 0 0 638.168 7.861 50 30 KKEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3Cl)S2)cc1 ZINC000097960445 553871729 /nfs/dbraw/zinc/87/17/29/553871729.db2.gz SKJYFSQDLNLQIO-LPYMAVHISA-N 0 0 529.843 6.582 50 30 KKEARN COC(=O)COc1c(Br)cc(Br)cc1/C=C1/S/C(=N/c2ccc(C)c(C)c2)NC1=O ZINC000097960802 553873300 /nfs/dbraw/zinc/87/33/00/553873300.db2.gz WGWSYPQIROWPCY-CAOOACKPSA-N 0 0 554.260 5.272 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3OC)N(c3ccccc3OC)C2=O)cc1OC ZINC000097960801 553873363 /nfs/dbraw/zinc/87/33/63/553873363.db2.gz ROKXYEGHSZICIA-SDOFRJHVSA-N 0 0 581.488 6.848 50 30 KKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000097961046 553875065 /nfs/dbraw/zinc/87/50/65/553875065.db2.gz HCVJWORNUASOJE-DDMRMXNCSA-N 0 0 564.704 6.714 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032797431 553875102 /nfs/dbraw/zinc/87/51/02/553875102.db2.gz QBLUFQCDMTZQPY-MYYYXRDXSA-N 0 0 518.953 5.517 50 30 KKEARN Oc1ccc(Br)cc1CN=Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000097961744 553880553 /nfs/dbraw/zinc/88/05/53/553880553.db2.gz NVSIKXFQSANCOW-MTDXEUNCSA-N 0 0 546.429 5.092 50 30 KKEARN Brc1ccc(/C=N/C(/N=C/c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 ZINC000097961961 553881948 /nfs/dbraw/zinc/88/19/48/553881948.db2.gz RGGHIJRHEXECDE-BKHCZYBLSA-N 0 0 535.077 7.211 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000097962016 553882331 /nfs/dbraw/zinc/88/23/31/553882331.db2.gz SHFSMXFAGLLVIG-BKJRLHHMSA-N 0 0 527.584 6.513 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1c(C)cccc1C)cn2CC ZINC000032961213 553882374 /nfs/dbraw/zinc/88/23/74/553882374.db2.gz FRQADLZGKNOALB-PKAZHMFMSA-N 0 0 513.733 5.409 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000097962024 553882452 /nfs/dbraw/zinc/88/24/52/553882452.db2.gz XHHPQLSADYQUMK-ZXIAICBWSA-N 0 0 571.641 6.162 50 30 KKEARN C#CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000097962207 553883531 /nfs/dbraw/zinc/88/35/31/553883531.db2.gz GTWUSEFPXCRGLJ-FRKPEAEDSA-N 0 0 655.679 6.106 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C2CCCCC2)c(C)c1 ZINC000097962696 553885085 /nfs/dbraw/zinc/88/50/85/553885085.db2.gz NDCDXIJEQUEDAV-HGHKWBERSA-N 0 0 541.186 7.801 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000097962691 553885184 /nfs/dbraw/zinc/88/51/84/553885184.db2.gz SYBMAQIKYQQIQW-ASZNLBCTSA-N 0 0 758.419 6.101 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(/N=N/c2ccc(OC)cc2)cc1 ZINC000097962832 553885712 /nfs/dbraw/zinc/88/57/12/553885712.db2.gz VRLMUYLEWXXNNA-XAHDOWKMSA-N 0 0 507.763 10.102 50 30 KKEARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)cc2)C1 ZINC000097963468 553890501 /nfs/dbraw/zinc/89/05/01/553890501.db2.gz RHKHDMMOSUOURN-OYRHEFFESA-N 0 0 548.734 5.097 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)S/C1=N/c1ccc(/C=C/c2ccccc2)cc1 ZINC000097964013 553895712 /nfs/dbraw/zinc/89/57/12/553895712.db2.gz JOIMRAYAVVQWJV-MTSKLLIRSA-N 0 0 615.824 9.333 50 30 KKEARN CCOC(=O)c1cccc(-c2ccc(C=Nn3cnnc3N=NCc3ccc(-c4cccc(C(=O)OCC)c4)o3)o2)c1 ZINC000097964140 553896579 /nfs/dbraw/zinc/89/65/79/553896579.db2.gz IDQPSDXRFBMVID-VWHKTFBESA-N 0 0 566.574 5.480 50 30 KKEARN CC1=CC(C)(C)N2C(=O)C(=NN=c3[nH]c4ccccc4s3)c3cc(OC(=O)c4ccccc4Cl)cc1c32 ZINC000097965337 553904124 /nfs/dbraw/zinc/90/41/24/553904124.db2.gz ZBGPBFYEBNCVGB-SXBRIOAWSA-N 0 0 529.021 6.527 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2(CN=Nc2nc3ccccc3[nH]2)c2ccccc21 ZINC000097965442 553904504 /nfs/dbraw/zinc/90/45/04/553904504.db2.gz KDICSMTUWYWHKK-VBQLZTBCSA-N 0 0 544.014 5.865 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000097965690 553905787 /nfs/dbraw/zinc/90/57/87/553905787.db2.gz QXVIUNXLOHZMFD-PNQUVVCRSA-N 0 0 550.031 6.555 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2)c(OC)c1 ZINC000097966229 553907668 /nfs/dbraw/zinc/90/76/68/553907668.db2.gz JZFOCQSBSCERSQ-FJFKHDKWSA-N 0 0 552.656 5.857 50 30 KKEARN CCCCCCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(Cl)c3)n(-c3ccccc3)c2=O)cc1 ZINC000097966715 553909626 /nfs/dbraw/zinc/90/96/26/553909626.db2.gz VFPDRHCIXHJQRF-AYPSJXLJSA-N 0 0 558.103 6.303 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097966802 553910336 /nfs/dbraw/zinc/91/03/36/553910336.db2.gz SZSIFYPSIFGBMB-JGCGQSQUSA-N 0 0 600.712 5.282 50 30 KKEARN COc1ccc(Nc2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000097966819 553910665 /nfs/dbraw/zinc/91/06/65/553910665.db2.gz XKMKVZNSURIZMJ-YQCHCMBFSA-N 0 0 560.610 5.717 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097966824 553910722 /nfs/dbraw/zinc/91/07/22/553910722.db2.gz JPWTUQFPCHFMTN-WJOKGBTCSA-N 0 0 596.650 9.817 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000097966862 553911241 /nfs/dbraw/zinc/91/12/41/553911241.db2.gz LINCXWRYHTXPFC-SSEXGKCCSA-N 0 0 600.613 9.648 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000097966944 553912284 /nfs/dbraw/zinc/91/22/84/553912284.db2.gz PYIUBFOGUCVBBM-LJAQVGFWSA-N 0 0 569.610 5.971 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000097967032 553913076 /nfs/dbraw/zinc/91/30/76/553913076.db2.gz QCHWFRJWEKFTBU-GDLZYMKVSA-N 0 0 595.523 6.181 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097967015 553913163 /nfs/dbraw/zinc/91/31/63/553913163.db2.gz PGTJNLXOATZFDX-DFXYEROKSA-N 0 0 556.659 6.007 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000097967151 553914352 /nfs/dbraw/zinc/91/43/52/553914352.db2.gz YWKXLULHBVRDJB-SANMLTNESA-N 0 0 568.651 6.299 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967154 553914404 /nfs/dbraw/zinc/91/44/04/553914404.db2.gz FZXBUJCIFHECFY-SSEXGKCCSA-N 0 0 593.721 8.563 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097967138 553914422 /nfs/dbraw/zinc/91/44/22/553914422.db2.gz PIRPXBJZCCOGDX-HKBQPEDESA-N 0 0 628.648 9.223 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967258 553915727 /nfs/dbraw/zinc/91/57/27/553915727.db2.gz DLBLCRDWBDTUGJ-LMKMVOKYSA-N 0 0 575.484 6.782 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967293 553916117 /nfs/dbraw/zinc/91/61/17/553916117.db2.gz ARSPPJOWCMRPOE-DNOBIOAJSA-N 0 0 596.661 5.923 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967303 553916783 /nfs/dbraw/zinc/91/67/83/553916783.db2.gz BOVOOFBVHOKRNE-NDEPHWFRSA-N 0 0 602.665 6.047 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967302 553916829 /nfs/dbraw/zinc/91/68/29/553916829.db2.gz BOVOOFBVHOKRNE-MUUNZHRXSA-N 0 0 602.665 6.047 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967356 553917277 /nfs/dbraw/zinc/91/72/77/553917277.db2.gz LTYMDGVBYOXIHV-RKOGDMNLSA-N 0 0 572.639 5.819 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967389 553918033 /nfs/dbraw/zinc/91/80/33/553918033.db2.gz HAMPJURZEFITQN-KCWXNJEJSA-N 0 0 559.663 5.309 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967451 553918493 /nfs/dbraw/zinc/91/84/93/553918493.db2.gz AUVUHUUSWSYYMU-WRGVRERRSA-N 0 0 598.721 7.226 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967439 553918508 /nfs/dbraw/zinc/91/85/08/553918508.db2.gz MDEUDPYMMFEUJI-SONOPUAISA-N 0 0 582.678 6.675 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000097967460 553918833 /nfs/dbraw/zinc/91/88/33/553918833.db2.gz MQESVKOEYRUUEX-YTTGMZPUSA-N 0 0 579.778 8.469 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967550 553920102 /nfs/dbraw/zinc/92/01/02/553920102.db2.gz PNTJLHUJOYHPDS-LJAQVGFWSA-N 0 0 558.631 5.599 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967563 553920107 /nfs/dbraw/zinc/92/01/07/553920107.db2.gz GYKHENBMFVNPET-JCOAXYOVSA-N 0 0 612.748 7.679 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967596 553920654 /nfs/dbraw/zinc/92/06/54/553920654.db2.gz LMJKMAVCZXWNGS-PKHCJMHPSA-N 0 0 628.747 7.379 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967668 553921325 /nfs/dbraw/zinc/92/13/25/553921325.db2.gz OFIDRYLABPJCDO-YHAMSUFESA-N 0 0 559.043 6.621 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967666 553921367 /nfs/dbraw/zinc/92/13/67/553921367.db2.gz OFIDRYLABPJCDO-DXPJPUQTSA-N 0 0 559.043 6.621 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967644 553921382 /nfs/dbraw/zinc/92/13/82/553921382.db2.gz GQDBYZUWOKBZJV-QLXKLKPCSA-N 0 0 604.681 5.698 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967672 553921390 /nfs/dbraw/zinc/92/13/90/553921390.db2.gz GNFQORWHTZHRIM-OYLFLEFRSA-N 0 0 561.457 6.474 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967651 553921432 /nfs/dbraw/zinc/92/14/32/553921432.db2.gz JPNQZRSZEZYKBF-DNOBIOAJSA-N 0 0 554.624 5.837 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967679 553921768 /nfs/dbraw/zinc/92/17/68/553921768.db2.gz SYYMIMMIEKLIHB-SLQAJWMNSA-N 0 0 584.694 6.817 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000033348182 553922200 /nfs/dbraw/zinc/92/22/00/553922200.db2.gz IKIKFVRXKDXODS-JMIUGGIZSA-N 0 0 504.812 6.541 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000097967713 553922168 /nfs/dbraw/zinc/92/21/68/553922168.db2.gz SXNVPCWBFHZHRR-PMERELPUSA-N 0 0 556.162 9.539 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000033348181 553922187 /nfs/dbraw/zinc/92/21/87/553922187.db2.gz XNFSMZLKIZLBQC-YUMHPJSZSA-N 0 0 515.585 6.843 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2cc(C)ccc2C)n(-c2ccccc2)c1=O ZINC000097967776 553923050 /nfs/dbraw/zinc/92/30/50/553923050.db2.gz GAOSHIPNWRDDAS-YIYCWRHBSA-N 0 0 574.500 5.468 50 30 KKEARN COc1ccccc1[C@@H]1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(CO/N=C/c4ccccc4)nc3c21 ZINC000097967892 553924992 /nfs/dbraw/zinc/92/49/92/553924992.db2.gz MNROJWAQEKESIB-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000033353436 553925057 /nfs/dbraw/zinc/92/50/57/553925057.db2.gz UROPEGASBUUIRH-KPURRNSFSA-N 0 0 588.498 6.311 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000033353451 553925460 /nfs/dbraw/zinc/92/54/60/553925460.db2.gz NEVJFVZKAODIFW-LJAQVGFWSA-N 0 0 535.512 8.637 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n21 ZINC000033353479 553925489 /nfs/dbraw/zinc/92/54/89/553925489.db2.gz SOAOWCGCXOCKSR-NXYYLBPMSA-N 0 0 561.707 5.702 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000033353782 553927127 /nfs/dbraw/zinc/92/71/27/553927127.db2.gz BLGRVSHUXLXVHX-MQFAKOPTSA-N 0 0 572.658 6.040 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097968062 553927155 /nfs/dbraw/zinc/92/71/55/553927155.db2.gz DDHHNZVGGLDFSV-SSEXGKCCSA-N 0 0 614.720 6.982 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000033353979 553927933 /nfs/dbraw/zinc/92/79/33/553927933.db2.gz BMUCWZHPQDMYGF-OAQYLSRUSA-N 0 0 523.456 5.697 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968146 553928389 /nfs/dbraw/zinc/92/83/89/553928389.db2.gz BLXHVPIOJMWWPB-SSEXGKCCSA-N 0 0 635.767 7.661 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2I)nc2c(c1-c1cccs1)CCCC2 ZINC000033354133 553928515 /nfs/dbraw/zinc/92/85/15/553928515.db2.gz IAESGHOPMRBSRE-UHFFFAOYSA-N 0 0 531.444 5.896 50 30 KKEARN CCCCCCCCCc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000033354245 553928976 /nfs/dbraw/zinc/92/89/76/553928976.db2.gz FWCMAMLKHJOQGS-UHFFFAOYSA-N 0 0 597.593 10.116 50 30 KKEARN O=C(NCCCCNC(=O)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354473 553929960 /nfs/dbraw/zinc/92/99/60/553929960.db2.gz CINZCEAKLJWYMZ-YUMQZZPRSA-N 0 0 604.282 5.561 50 30 KKEARN O=C(N[C@@H](c1ccc(Cl)cc1)[C@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000033354475 553929971 /nfs/dbraw/zinc/92/99/71/553929971.db2.gz KXXAWMDWJDXTAO-QHHPLLGSSA-N 0 0 542.293 8.632 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968305 553930353 /nfs/dbraw/zinc/93/03/53/553930353.db2.gz XRCQEQOVTRJSGM-QTEAWJPNSA-N 0 0 616.711 7.365 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968304 553930359 /nfs/dbraw/zinc/93/03/59/553930359.db2.gz XRCQEQOVTRJSGM-HZAQMHFWSA-N 0 0 616.711 7.365 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000033354690 553930872 /nfs/dbraw/zinc/93/08/72/553930872.db2.gz KTDIKEKGDOVVHM-OSPAZUARSA-N 0 0 619.161 8.639 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000033354658 553930921 /nfs/dbraw/zinc/93/09/21/553930921.db2.gz GEGDYHYQKVHQKW-SNFDCCKOSA-N 0 0 661.223 9.594 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000033354716 553930928 /nfs/dbraw/zinc/93/09/28/553930928.db2.gz IDXCCYAGSIZIIS-IVCQMTBJSA-N 0 0 531.361 7.456 50 30 KKEARN N#Cc1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc(-c2ccccc2)cc1C(F)(F)F ZINC000033354744 553931192 /nfs/dbraw/zinc/93/11/92/553931192.db2.gz FENRLBLCEYSOKO-UHFFFAOYSA-N 0 0 554.018 8.214 50 30 KKEARN O=C(Nc1c(Oc2ccccc2)c(NC(=O)C(F)(F)F)c(Oc2ccccc2)c(NC(=O)C(F)(F)F)c1Oc1ccccc1)C(F)(F)F ZINC000033354786 553931587 /nfs/dbraw/zinc/93/15/87/553931587.db2.gz OZFXWRGZAPSFPE-UHFFFAOYSA-N 0 0 687.471 8.566 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1OC ZINC000097968396 553931951 /nfs/dbraw/zinc/93/19/51/553931951.db2.gz LIUKMXSOKVQRAD-UUAJIBDESA-N 0 0 563.639 6.583 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000033354992 553932570 /nfs/dbraw/zinc/93/25/70/553932570.db2.gz MCGHFCKDROLGQY-LGPLSSKUSA-N 0 0 641.042 6.114 50 30 KKEARN Cc1ccc(C)c(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1 ZINC000033355186 553933427 /nfs/dbraw/zinc/93/34/27/553933427.db2.gz YQIJEBHCNZUWRF-FRTKJFMSSA-N 0 0 527.580 6.165 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097968589 553933443 /nfs/dbraw/zinc/93/34/43/553933443.db2.gz LOZPPEOLENJMHW-XMWFGAJLSA-N 0 0 552.052 5.686 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000097968579 553933473 /nfs/dbraw/zinc/93/34/73/553933473.db2.gz NGXDLYKCNMZHES-NMLDKSGZSA-N 0 0 579.794 5.439 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(C=Nc3cccc(Cl)c3Cl)c3ccccc3C2c2ccccc21 ZINC000033355220 553933719 /nfs/dbraw/zinc/93/37/19/553933719.db2.gz XCIMKPQIABOVKQ-LIYZNKETSA-N 0 0 568.416 6.855 50 30 KKEARN COc1ccc(N/N=C(/Sc2nnc(COc3ccc(C4CCCCC4)cc3)n2-c2ccccc2)C(C)=O)cc1 ZINC000097968621 553933793 /nfs/dbraw/zinc/93/37/93/553933793.db2.gz CACJWNAAWBGUDC-VBMGMRCRSA-N 0 0 555.704 7.009 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000097968599 553933802 /nfs/dbraw/zinc/93/38/02/553933802.db2.gz GBRKHMRUBPRBCJ-XIEXQXBSSA-N 0 0 559.644 5.201 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1cc(Br)ccc1OCc1ccccc1 ZINC000033355296 553933970 /nfs/dbraw/zinc/93/39/70/553933970.db2.gz QZNKQZCDALAJRZ-LZWSGYTISA-N 0 0 521.230 7.049 50 30 KKEARN CCCCCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3OC)n(-c3ccccc3)c2=O)cc1OC ZINC000097968712 553933997 /nfs/dbraw/zinc/93/39/97/553933997.db2.gz QHTZXRWTUZUMJS-ZAXMKZGGSA-N 0 0 569.683 5.276 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097968729 553934004 /nfs/dbraw/zinc/93/40/04/553934004.db2.gz UZFJGDUUHQFFJQ-RSWNAOGASA-N 0 0 588.472 6.266 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(Br)cc3)o2)c(=O)n1-c1ccccc1 ZINC000097968726 553934033 /nfs/dbraw/zinc/93/40/33/553934033.db2.gz VPPTVIDEJQDZQD-PEJLKVTHSA-N 0 0 598.478 5.721 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@H](O)C[S@](=O)Cc1ccc(Cl)cc1 ZINC000033355429 553934698 /nfs/dbraw/zinc/93/46/98/553934698.db2.gz DPKRAOABIRAAFO-TVYQXRCNSA-N 0 0 597.987 7.105 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CNc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968917 553934899 /nfs/dbraw/zinc/93/48/99/553934899.db2.gz WVCFHXQKOOIVEG-FMLBYPFLSA-N 0 0 584.954 6.074 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1nc2nonc2nc1Nc1cccc(C)c1C ZINC000033355542 553935284 /nfs/dbraw/zinc/93/52/84/553935284.db2.gz RPSZCQKBKATOMM-XIFFEERXSA-N 0 0 638.728 8.637 50 30 KKEARN COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])c(C)c4C)o3)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000033355540 553935286 /nfs/dbraw/zinc/93/52/86/553935286.db2.gz PUBCXQVHYPNYQX-HPNXWYHWSA-N 0 0 632.725 7.314 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1Oc1nc2nonc2nc1Nc1cccc(C)c1C ZINC000033355573 553935576 /nfs/dbraw/zinc/93/55/76/553935576.db2.gz DGWUFELZLDDMBF-UHFFFAOYSA-N 0 0 635.721 7.574 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969040 553935748 /nfs/dbraw/zinc/93/57/48/553935748.db2.gz JLYLVICPDVDMBV-JPZYQRIQSA-N 0 0 555.671 6.265 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1 ZINC000097969025 553935798 /nfs/dbraw/zinc/93/57/98/553935798.db2.gz UVBCXWLRVBVVKU-LJAQVGFWSA-N 0 0 544.623 5.014 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969097 553936675 /nfs/dbraw/zinc/93/66/75/553936675.db2.gz YOPXNCLAIFERHT-QHCPKHFHSA-N 0 0 548.661 6.026 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969128 553937087 /nfs/dbraw/zinc/93/70/87/553937087.db2.gz NRPXHEPRIBZVTO-CBZJRKILSA-N 0 0 556.640 6.200 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969155 553937438 /nfs/dbraw/zinc/93/74/38/553937438.db2.gz ARVUTJUCXDOALP-JMQGSBJISA-N 0 0 570.667 6.508 50 30 KKEARN CC1(C)CSCC(C)(C)C(=N/N=C2/C(=O)Nc3ccc(Br)cc32)/C1=N/N=C1\C(=O)Nc2ccc(Br)cc21 ZINC000033355896 553937928 /nfs/dbraw/zinc/93/79/28/553937928.db2.gz YMNUYKKKMQPENX-NRYMNODQSA-N 0 0 644.393 5.905 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969254 553938660 /nfs/dbraw/zinc/93/86/60/553938660.db2.gz MPICMOCLCBGXDP-WRHNGFHOSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000097969419 553940877 /nfs/dbraw/zinc/94/08/77/553940877.db2.gz SSPIQSUCYRNZMY-LJAQVGFWSA-N 0 0 548.724 5.772 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097969461 553941008 /nfs/dbraw/zinc/94/10/08/553941008.db2.gz UMGFEBURZZANBJ-PMERELPUSA-N 0 0 617.068 10.162 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000097969466 553941177 /nfs/dbraw/zinc/94/11/77/553941177.db2.gz YSAVQOLNPYZMJU-GDLZYMKVSA-N 0 0 605.529 5.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000097969503 553941639 /nfs/dbraw/zinc/94/16/39/553941639.db2.gz OXSFVBOQRDKSIN-KQJNQVBHSA-N 0 0 559.791 9.154 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000097969539 553942219 /nfs/dbraw/zinc/94/22/19/553942219.db2.gz QXGMBVKEQSYXEV-GDLZYMKVSA-N 0 0 605.529 5.637 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969590 553942572 /nfs/dbraw/zinc/94/25/72/553942572.db2.gz XJYHAOMGDXJZLN-ROTAYESASA-N 0 0 612.748 7.453 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969588 553942659 /nfs/dbraw/zinc/94/26/59/553942659.db2.gz XJYHAOMGDXJZLN-JCOAXYOVSA-N 0 0 612.748 7.453 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969626 553942942 /nfs/dbraw/zinc/94/29/42/553942942.db2.gz JXZXLTNFENXDMS-LDLUVENISA-N 0 0 595.076 7.848 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969612 553942954 /nfs/dbraw/zinc/94/29/54/553942954.db2.gz ASNGCVFDXRVYLD-XRHLQHRESA-N 0 0 616.692 5.864 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969631 553943356 /nfs/dbraw/zinc/94/33/56/553943356.db2.gz VNOLUFFCOHFMTP-OLILMLBXSA-N 0 0 568.695 7.280 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2c(F)cccc2F)C2=C1C(=O)CC(C)(C)C2 ZINC000033356709 553943610 /nfs/dbraw/zinc/94/36/10/553943610.db2.gz ROFJXCPNWNEUMM-UHFFFAOYSA-N 0 0 570.474 7.626 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969707 553943840 /nfs/dbraw/zinc/94/38/40/553943840.db2.gz ANPATNMQLKMQGC-GFJKYASSSA-N 0 0 618.711 7.299 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969742 553944087 /nfs/dbraw/zinc/94/40/87/553944087.db2.gz IMAQYRVABKJIHF-QTEAWJPNSA-N 0 0 609.103 7.635 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969788 553945005 /nfs/dbraw/zinc/94/50/05/553945005.db2.gz FHRFIGQRYJQXFE-RKOGDMNLSA-N 0 0 602.665 5.827 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969814 553945634 /nfs/dbraw/zinc/94/56/34/553945634.db2.gz XOHKPPDYFSDTPN-WRGVRERRSA-N 0 0 598.721 7.207 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969904 553946860 /nfs/dbraw/zinc/94/68/60/553946860.db2.gz PZTKHLNGNIMOAY-WWOZWPLTSA-N 0 0 592.648 7.121 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969947 553947405 /nfs/dbraw/zinc/94/74/05/553947405.db2.gz GYCCKGAWHAJPDB-DXPJPUQTSA-N 0 0 570.623 5.588 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969977 553947795 /nfs/dbraw/zinc/94/77/95/553947795.db2.gz BBOKVUNJXFWJAH-WWOZWPLTSA-N 0 0 614.720 6.989 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969988 553947851 /nfs/dbraw/zinc/94/78/51/553947851.db2.gz WKRXHEUEUFIBGL-ADSBAMQRSA-N 0 0 614.720 6.845 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970029 553948681 /nfs/dbraw/zinc/94/86/81/553948681.db2.gz UAALTTXIGXITPE-DEOSSOPVSA-N 0 0 560.628 5.472 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970064 553949133 /nfs/dbraw/zinc/94/91/33/553949133.db2.gz ODYGJAOXOGXNQP-PUAOIOHZSA-N 0 0 590.654 5.308 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000097970094 553949532 /nfs/dbraw/zinc/94/95/32/553949532.db2.gz YNDAKAQDTXMQMX-TUECKBEMSA-N 0 0 580.891 5.505 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970141 553950162 /nfs/dbraw/zinc/95/01/62/553950162.db2.gz IHLFPWCEMTYDJB-XDBZFTIUSA-N 0 0 570.667 6.427 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970170 553950533 /nfs/dbraw/zinc/95/05/33/553950533.db2.gz ZOUKDWXFTLEJEM-AFJIDDCJSA-N 0 0 568.695 7.198 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970271 553951584 /nfs/dbraw/zinc/95/15/84/553951584.db2.gz FXEUSOROWBRCKS-VOIUYBSRSA-N 0 0 562.644 5.523 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970434 553954072 /nfs/dbraw/zinc/95/40/72/553954072.db2.gz PPYUXVQQZAKLRR-MQNRADLISA-N 0 0 621.509 6.496 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccccc1OC ZINC000097970445 553954123 /nfs/dbraw/zinc/95/41/23/553954123.db2.gz VRKDTDSWBTZRDY-IPPBACCNSA-N 0 0 542.444 7.189 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033358346 553954842 /nfs/dbraw/zinc/95/48/42/553954842.db2.gz CLNFDIHQSOILRV-XMWFGAJLSA-N 0 0 566.035 5.406 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000033358370 553955072 /nfs/dbraw/zinc/95/50/72/553955072.db2.gz JGPIOYZQRYJONS-NGQVCNFZSA-N 0 0 538.600 5.751 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970530 553955588 /nfs/dbraw/zinc/95/55/88/553955588.db2.gz WTABNMHZJPOIEZ-LJAQVGFWSA-N 0 0 600.693 6.818 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000033358439 553955830 /nfs/dbraw/zinc/95/58/30/553955830.db2.gz ROBLFUDGKWWUMO-XHCCPWGMSA-N 0 0 616.574 6.220 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970572 553955955 /nfs/dbraw/zinc/95/59/55/553955955.db2.gz TUCLUXDKWNPQBZ-KWMCUTETSA-N 0 0 589.113 7.481 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1cccc(Br)c1)N2 ZINC000033358484 553956139 /nfs/dbraw/zinc/95/61/39/553956139.db2.gz GDMXUSFMEQZUCT-WBBHLRKXSA-N 0 0 549.468 7.660 50 30 KKEARN CC(N=Nc1nc2ccccc2n1Cc1ccccc1)N=Nc1ccc2c(c1)-c1cc(N=NC(C)N=Nc3nc4ccccc4n3Cc3ccccc3)ccc1C2=O ZINC000097970609 553956222 /nfs/dbraw/zinc/95/62/22/553956222.db2.gz YVKBXKXCZUYQCR-YSWLPHRASA-N 0 0 760.866 10.752 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970611 553956226 /nfs/dbraw/zinc/95/62/26/553956226.db2.gz FEMQRVTYPGSWBZ-BGOLNKOXSA-N 0 0 588.685 7.812 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970644 553956646 /nfs/dbraw/zinc/95/66/46/553956646.db2.gz NHIXYHRVZMFILZ-SONOPUAISA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097970618 553956685 /nfs/dbraw/zinc/95/66/85/553956685.db2.gz GGMFTLOXCCOPKA-XIFFEERXSA-N 0 0 591.660 6.257 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097970617 553956906 /nfs/dbraw/zinc/95/69/06/553956906.db2.gz GGMFTLOXCCOPKA-MGBGTMOVSA-N 0 0 591.660 6.257 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000097970653 553957078 /nfs/dbraw/zinc/95/70/78/553957078.db2.gz YHSRUCQWLCRUQR-PMERELPUSA-N 0 0 556.162 9.539 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970670 553957187 /nfs/dbraw/zinc/95/71/87/553957187.db2.gz VKINNUVWUPTWEM-ULKXQASOSA-N 0 0 632.738 7.607 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970661 553957199 /nfs/dbraw/zinc/95/71/99/553957199.db2.gz PXYVXUHYEVJBPG-CRICUBBOSA-N 0 0 558.656 6.024 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970676 553957540 /nfs/dbraw/zinc/95/75/40/553957540.db2.gz DFQQALJUILUIJC-SOKVYYICSA-N 0 0 556.640 6.200 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970692 553957576 /nfs/dbraw/zinc/95/75/76/553957576.db2.gz FEXZMXFDWHMTQM-JMQGSBJISA-N 0 0 604.725 6.584 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970729 553957838 /nfs/dbraw/zinc/95/78/38/553957838.db2.gz QVRWSTINTZPUET-QJWGWKRISA-N 0 0 628.747 7.235 50 30 KKEARN COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(/C=C\C(=O)c4ccccc4)cc3)cc2C1=O ZINC000033396132 553958427 /nfs/dbraw/zinc/95/84/27/553958427.db2.gz SBJJDACRXMEUBL-AQTBWJFISA-N 0 0 502.526 5.644 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097970779 553958655 /nfs/dbraw/zinc/95/86/55/553958655.db2.gz JAENGFYSVJIPAU-CCLHPLFOSA-N 0 0 515.610 5.054 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097970904 553959199 /nfs/dbraw/zinc/95/91/99/553959199.db2.gz FWCQZYLNNMXWRI-HKBQPEDESA-N 0 0 554.687 5.437 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970978 553959952 /nfs/dbraw/zinc/95/99/52/553959952.db2.gz NTSJVBIVAZSVGP-IPBJYNAHSA-N 0 0 592.733 5.134 50 30 KKEARN COc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=O ZINC000097971140 553960824 /nfs/dbraw/zinc/96/08/24/553960824.db2.gz FXPSQMJAQRZAJK-BANORVKISA-N 0 0 522.413 5.006 50 30 KKEARN C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(OC)ccc3c2occ(-c2ccc(OC)cc2)c3=O)cc1OC ZINC000097971911 553964007 /nfs/dbraw/zinc/96/40/07/553964007.db2.gz JREZXKAISWBVIZ-XMMPIXPASA-N 0 0 544.600 6.136 50 30 biogenic KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccc(C)cc1 ZINC000033624308 553964913 /nfs/dbraw/zinc/96/49/13/553964913.db2.gz ARDSIRUASTZVKT-UHFFFAOYSA-N 0 0 505.615 5.205 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000033660744 553966743 /nfs/dbraw/zinc/96/67/43/553966743.db2.gz IANLMMSZNQCCOB-CAKYRVLISA-N 0 0 519.711 6.806 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097977071 553974029 /nfs/dbraw/zinc/97/40/29/553974029.db2.gz DRTZLJPQKXGWTM-NRFANRHFSA-N 0 0 634.883 8.091 50 30 KKEARN O=C(/C=C\c1ccccc1)c1ccc(Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)cc1 ZINC000033926534 553976811 /nfs/dbraw/zinc/97/68/11/553976811.db2.gz NKUYCGFHJUTOAQ-WQRHYEAKSA-N 0 0 506.403 7.699 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000033930652 553977049 /nfs/dbraw/zinc/97/70/49/553977049.db2.gz AELFOMNPMYSOTC-HFUYDOEQSA-N 0 0 521.679 6.129 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000033930641 553977058 /nfs/dbraw/zinc/97/70/58/553977058.db2.gz ILEIRHXDHMUTCQ-WTVARKITSA-N 0 0 510.030 6.061 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000033930623 553977084 /nfs/dbraw/zinc/97/70/84/553977084.db2.gz ORBZVUZXLMPVFM-IOPIDLMNSA-N 0 0 535.637 5.424 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000033930664 553977127 /nfs/dbraw/zinc/97/71/27/553977127.db2.gz CQDCUECLKPTFHI-RLDZSICGSA-N 0 0 533.665 6.194 50 30 KKEARN CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCC4)cc1 ZINC000097979340 553978430 /nfs/dbraw/zinc/97/84/30/553978430.db2.gz WOKZCFCNXHCDMI-UHFFFAOYSA-N 0 0 651.836 5.316 50 30 KKEARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCCCC4)c1 ZINC000097979337 553978477 /nfs/dbraw/zinc/97/84/77/553978477.db2.gz MVCHCAYUQSVUGL-UHFFFAOYSA-N 0 0 665.863 5.706 50 30 KKEARN COc1ccc(/C=C2/N=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000097979504 553980013 /nfs/dbraw/zinc/98/00/13/553980013.db2.gz WBFSRINAHFZRRL-DHRITJCHSA-N 0 0 541.589 5.208 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1C ZINC000034107392 553980657 /nfs/dbraw/zinc/98/06/57/553980657.db2.gz IUQGPAXOFWPVPP-PCLIKHOPSA-N 0 0 513.644 6.407 50 30 KKEARN COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(CCC#N)c2ccccc2F)cc(OC)c1OC ZINC000097979739 553981649 /nfs/dbraw/zinc/98/16/49/553981649.db2.gz FJYMYYUQAZFCMY-OQKWZONESA-N 0 0 595.627 5.990 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000097979849 553983057 /nfs/dbraw/zinc/98/30/57/553983057.db2.gz HQLCYVLOKJFQGT-MYYYXRDXSA-N 0 0 536.484 6.665 50 30 KKEARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000097979864 553983059 /nfs/dbraw/zinc/98/30/59/553983059.db2.gz WRUHRKVTKPZFSR-UHFFFAOYSA-N 0 0 563.705 5.016 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097979874 553983203 /nfs/dbraw/zinc/98/32/03/553983203.db2.gz PEERUWSRWBXXKT-QQXSKIMKSA-N 0 0 552.549 5.760 50 30 KKEARN N#Cc1cccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000034735702 553997615 /nfs/dbraw/zinc/99/76/15/553997615.db2.gz BTKJSRBWHVZRDU-QNGOZBTKSA-N 0 0 518.529 5.687 50 30 KKEARN COc1cc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000097982695 554004835 /nfs/dbraw/zinc/00/48/35/554004835.db2.gz FNJYOAYRRWUNES-SSEXGKCCSA-N 0 0 588.535 8.276 50 30 KKEARN O=C(Oc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)c1ccc(Oc2ccc(C(=O)Oc3cccc(Oc4c(F)c(F)c(F)c(F)c4F)c3)cc2)cc1 ZINC000097982956 554006574 /nfs/dbraw/zinc/00/65/74/554006574.db2.gz LKSZMHXQZQZQMP-UHFFFAOYSA-N 0 0 774.519 10.893 50 30 KKEARN C=CCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCC=C)c(Br)c2)cc1Br ZINC000097982949 554006605 /nfs/dbraw/zinc/00/66/05/554006605.db2.gz YORQPOLKPQNTOO-UHFFFAOYSA-N 0 0 645.989 6.699 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097983022 554006859 /nfs/dbraw/zinc/00/68/59/554006859.db2.gz VJSSQMCSRKCOQH-AREMUKBSSA-N 0 0 579.122 9.355 50 30 KKEARN Fc1c(F)c(F)c(SC(Sc2c(F)c(F)c(F)c(F)c2F)=C(Sc2c(F)c(F)c(F)c(F)c2F)c2ccccc2)c(F)c1F ZINC000097982995 554006871 /nfs/dbraw/zinc/00/68/71/554006871.db2.gz ZDHPMDWMAWUDQS-UHFFFAOYSA-N 0 0 698.497 10.776 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097983020 554006890 /nfs/dbraw/zinc/00/68/90/554006890.db2.gz RLECKIJDKLTKKW-AREMUKBSSA-N 0 0 579.122 9.355 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097983055 554007350 /nfs/dbraw/zinc/00/73/50/554007350.db2.gz PZFJLZJTVCFWOT-RUZDIDTESA-N 0 0 610.092 8.955 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097983068 554007399 /nfs/dbraw/zinc/00/73/99/554007399.db2.gz ULIMOFOUXJUPOD-GDLZYMKVSA-N 0 0 556.062 10.326 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000097983062 554007460 /nfs/dbraw/zinc/00/74/60/554007460.db2.gz COHPGUJLXBCVRN-RUZDIDTESA-N 0 0 540.447 9.826 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)C[C@H](C)CC(C)(C)C ZINC000034792563 554008135 /nfs/dbraw/zinc/00/81/35/554008135.db2.gz VOMWQQNBRCURKR-SIKLNZKXSA-N 0 0 501.071 5.921 50 30 KKEARN CC1C/C(=C\C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000097983530 554010026 /nfs/dbraw/zinc/01/00/26/554010026.db2.gz IOQIPXYTISDBJF-DSVJDVDISA-N 0 0 704.824 7.582 50 30 KKEARN O=C(Nc1ccc(C(OS(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000097983595 554010334 /nfs/dbraw/zinc/01/03/34/554010334.db2.gz HGYAHASXLPAFPJ-UHFFFAOYSA-N 0 0 572.310 6.971 50 30 KKEARN CCN(CC)[P@@](=O)(Nc1ccc(SC(F)F)cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000097984692 554017880 /nfs/dbraw/zinc/01/78/80/554017880.db2.gz SLWLVLUXNHVLCP-LHEWISCISA-N 0 0 615.474 7.251 50 30 KKEARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000097986460 554024369 /nfs/dbraw/zinc/02/43/69/554024369.db2.gz KPONMRUJQNUCBT-GVAUOCQISA-N 0 0 550.036 5.220 50 30 KKEARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000097986931 554026278 /nfs/dbraw/zinc/02/62/78/554026278.db2.gz UICVZYSBVZJTQM-GOTSBHOMSA-N 0 0 528.055 5.183 50 30 KKEARN C=CCOc1ccc(Br)cc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000035084713 554034381 /nfs/dbraw/zinc/03/43/81/554034381.db2.gz VDQRRKYWEITGID-XJBRANNNSA-N 0 0 519.464 6.687 50 30 KKEARN CCCCCCCCCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OCCCCCCCCC)cc3)C2)cc1 ZINC000097997787 554040526 /nfs/dbraw/zinc/04/05/26/554040526.db2.gz DKCKUDKCFKAYOK-PUFSFBHOSA-N 0 0 608.911 11.966 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000097997798 554040546 /nfs/dbraw/zinc/04/05/46/554040546.db2.gz XSNRTAXMKRJWPS-DHUJRADRSA-N 0 0 606.892 8.615 50 30 biogenic KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000097997848 554040785 /nfs/dbraw/zinc/04/07/85/554040785.db2.gz XTDCAZDBKOBLCF-UHFFFAOYSA-N 0 0 531.652 7.990 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000097999485 554043534 /nfs/dbraw/zinc/04/35/34/554043534.db2.gz BVJHCKONBWFTQY-UHFFFAOYSA-N 0 0 603.100 6.591 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000097999594 554044408 /nfs/dbraw/zinc/04/44/08/554044408.db2.gz QKPSIHQVIDSTBG-CDZUIXILSA-N 0 0 577.563 8.829 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999883 554046765 /nfs/dbraw/zinc/04/67/65/554046765.db2.gz CAJNJSGKHRQOQR-RWBZGNMBSA-N 0 0 683.676 10.452 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097999962 554047461 /nfs/dbraw/zinc/04/74/61/554047461.db2.gz CXRGNZRJGVFBFL-NHOCJEJCSA-N 0 0 625.121 7.589 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000098000300 554049835 /nfs/dbraw/zinc/04/98/35/554049835.db2.gz QMERTYJTNFDTKD-XOAACPPSSA-N 0 0 570.733 8.136 50 30 KKEARN COc1c(I)cc(I)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000098000401 554050881 /nfs/dbraw/zinc/05/08/81/554050881.db2.gz VSQZLBDWKYZTPR-XMMPIXPASA-N 0 0 635.283 7.367 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)cc1 ZINC000098002597 554053712 /nfs/dbraw/zinc/05/37/12/554053712.db2.gz MXHIPUBMQNYEMD-UHFFFAOYSA-N 0 0 575.800 8.799 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(C)cc4C)sc3c2)cc1 ZINC000098002692 554054249 /nfs/dbraw/zinc/05/42/49/554054249.db2.gz GFNZWTRGSSCMBJ-UHFFFAOYSA-N 0 0 603.854 9.416 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000098003603 554055431 /nfs/dbraw/zinc/05/54/31/554055431.db2.gz DJHLSSKVULWYMZ-URZIEALYSA-N 0 0 704.914 12.279 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000098003655 554055762 /nfs/dbraw/zinc/05/57/62/554055762.db2.gz BMXZJXFLGGNFJG-WZLIKJJVSA-N 0 0 689.639 10.186 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000098003692 554056072 /nfs/dbraw/zinc/05/60/72/554056072.db2.gz NEQHEVFVTKQCLB-NLINSNCNSA-N 0 0 640.689 6.546 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000098006006 554060184 /nfs/dbraw/zinc/06/01/84/554060184.db2.gz TZRVDDSFBDVYBB-QGZVFWFLSA-N 0 0 544.529 7.301 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000098005987 554060243 /nfs/dbraw/zinc/06/02/43/554060243.db2.gz QWVSQJOSUWKUMR-KRWDZBQOSA-N 0 0 578.974 7.954 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(OC)c2)sc2c1CCCC2 ZINC000098006258 554060825 /nfs/dbraw/zinc/06/08/25/554060825.db2.gz BWTJYUCELJZXFS-VWLOTQADSA-N 0 0 548.705 6.055 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000098006273 554060897 /nfs/dbraw/zinc/06/08/97/554060897.db2.gz BGWDTDOQWBZHDV-LJQANCHMSA-N 0 0 561.626 7.152 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccc(Cl)cc1 ZINC000098006314 554061078 /nfs/dbraw/zinc/06/10/78/554061078.db2.gz YXOQJMNACAVNEN-GOSISDBHSA-N 0 0 544.529 7.301 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccccc1Cl ZINC000098006309 554061170 /nfs/dbraw/zinc/06/11/70/554061170.db2.gz JRLYMXMYJSLQJO-KRWDZBQOSA-N 0 0 544.529 7.301 50 30 KKEARN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[C@@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c2O1 ZINC000035622968 554061782 /nfs/dbraw/zinc/06/17/82/554061782.db2.gz FYDZTERBTVQDEM-NDEPHWFRSA-N 0 0 525.605 7.323 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccco1)N1CCOCC1 ZINC000035671607 554062570 /nfs/dbraw/zinc/06/25/70/554062570.db2.gz SLNDSZWYERCYMS-XMMPIXPASA-N 0 0 504.974 5.524 50 30 KKEARN COc1ccc2c(c1)c(CC(=O)Nc1cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000098007394 554063760 /nfs/dbraw/zinc/06/37/60/554063760.db2.gz GQTYYPBMQQBIMF-GDLZYMKVSA-N 0 0 630.959 8.752 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(CSc3nc4ccccc4s3)cs2)C2=C(CCCC2=O)N1 ZINC000098007999 554065416 /nfs/dbraw/zinc/06/54/16/554065416.db2.gz BXHMSVKANWRRMD-MHZLTWQESA-N 0 0 543.739 7.257 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc3ccccc31)c1nc(N)c(C#N)c(N)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008028 554065643 /nfs/dbraw/zinc/06/56/43/554065643.db2.gz CCIIBJNRSSJCOO-VWLOTQADSA-N 0 0 530.588 6.106 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008102 554065976 /nfs/dbraw/zinc/06/59/76/554065976.db2.gz SOAQWZBOIJOQIB-WNGDZKDKSA-N 0 0 533.577 5.326 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)c1nc(N)c(C#N)c(N)c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008975 554068526 /nfs/dbraw/zinc/06/85/26/554068526.db2.gz FYERTAZGHFGYNR-HSZRJFAPSA-N 0 0 565.659 5.765 50 30 KKEARN C/C(=N/OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C ZINC000035843482 554081959 /nfs/dbraw/zinc/08/19/59/554081959.db2.gz ZTNKRBKZZDUKPL-FZPRHHONSA-N 0 0 500.923 8.205 50 30 KKEARN Cc1cc(-c2c(C)nc3c(OCc4cccc(C#N)c4)cccn3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035911413 554094800 /nfs/dbraw/zinc/09/48/00/554094800.db2.gz CGFNFAKZABENFU-UHFFFAOYSA-N 0 0 516.388 5.922 50 30 KKEARN COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000098017807 554110470 /nfs/dbraw/zinc/11/04/70/554110470.db2.gz KNJFPMLJHFVGID-UHFFFAOYSA-N 0 0 567.690 5.818 50 30 KKEARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C[C@H]2CCCO2)C(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000098019545 554113057 /nfs/dbraw/zinc/11/30/57/554113057.db2.gz ALJWLWSQFMHVSC-AREMUKBSSA-N 0 0 576.719 5.230 50 30 KKEARN COc1ccccc1C[C@@H]1CSC(=O)N1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000098023152 554120502 /nfs/dbraw/zinc/12/05/02/554120502.db2.gz GLDHGZAXAKUBIR-SECBINFHSA-N 0 0 503.333 6.351 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1 ZINC000098023345 554121148 /nfs/dbraw/zinc/12/11/48/554121148.db2.gz UTRHWVVFDOOYPL-UHFFFAOYSA-N 0 0 646.949 7.932 50 30 KKEARN CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000098042672 554121431 /nfs/dbraw/zinc/12/14/31/554121431.db2.gz KDOFFXVTHHDZTN-UHFFFAOYSA-N 0 0 627.379 5.383 50 30 KKEARN COc1cccc(C(=O)NC(C2=C(Nc3ccc(C)c(C)c3)CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)c1 ZINC000098043226 554125793 /nfs/dbraw/zinc/12/57/93/554125793.db2.gz HRDPIDFCUQDZEX-UHFFFAOYSA-N 0 0 542.520 6.661 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098045518 554132130 /nfs/dbraw/zinc/13/21/30/554132130.db2.gz VUUKKIBGXQADFA-BHNGRWRESA-N 0 0 620.702 6.944 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000098045530 554132141 /nfs/dbraw/zinc/13/21/41/554132141.db2.gz RFSHKVGKTAATEB-NLINSNCNSA-N 0 0 662.545 8.764 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098045519 554132157 /nfs/dbraw/zinc/13/21/57/554132157.db2.gz VUUKKIBGXQADFA-AOXBRHMESA-N 0 0 620.702 6.944 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000098045533 554132179 /nfs/dbraw/zinc/13/21/79/554132179.db2.gz RFSHKVGKTAATEB-BPJXYHRLSA-N 0 0 662.545 8.764 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1-c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000098045670 554133276 /nfs/dbraw/zinc/13/32/76/554133276.db2.gz QXUSSNWQVLQEIX-UHFFFAOYSA-N 0 0 590.716 8.397 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)o3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000098045708 554133447 /nfs/dbraw/zinc/13/34/47/554133447.db2.gz HWVMXUGXOSTUSD-OAHLLOKOSA-N 0 0 583.757 6.306 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)o3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000098045709 554133590 /nfs/dbraw/zinc/13/35/90/554133590.db2.gz HWVMXUGXOSTUSD-HNNXBMFYSA-N 0 0 583.757 6.306 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCC(C)C)=C(C)NC(C)=C2C(=O)OCC(C)C)cc1 ZINC000098046342 554137926 /nfs/dbraw/zinc/13/79/26/554137926.db2.gz GSLITWGTSCPCQM-UHFFFAOYSA-N 0 0 583.729 6.737 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000098046325 554137964 /nfs/dbraw/zinc/13/79/64/554137964.db2.gz HSFNWJQMOGRPIH-UHFFFAOYSA-N 0 0 690.644 9.111 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046580 554141224 /nfs/dbraw/zinc/14/12/24/554141224.db2.gz LLRMECAQOIGFSV-NDEPHWFRSA-N 0 0 544.604 5.209 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046623 554141585 /nfs/dbraw/zinc/14/15/85/554141585.db2.gz LXJRWIGZIRQUKE-NDEPHWFRSA-N 0 0 570.667 6.728 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2ccc(OCC)cc2)C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000098047033 554146098 /nfs/dbraw/zinc/14/60/98/554146098.db2.gz OIKWEABCNPZPOR-UHFFFAOYSA-N 0 0 628.729 7.562 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037360 554146271 /nfs/dbraw/zinc/14/62/71/554146271.db2.gz WOPKTOAFEOZQMS-FOVJLYNBSA-N 0 0 507.652 5.551 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047287 554148888 /nfs/dbraw/zinc/14/88/88/554148888.db2.gz WANHIFREBISVHA-XMMPIXPASA-N 0 0 534.634 6.015 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1cccs1 ZINC000036040373 554148992 /nfs/dbraw/zinc/14/89/92/554148992.db2.gz ZHPOSISSBYUMHG-UHFFFAOYSA-N 0 0 505.665 5.104 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047300 554149238 /nfs/dbraw/zinc/14/92/38/554149238.db2.gz VRLZYWIMDAVORX-LJAQVGFWSA-N 0 0 553.615 5.148 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)C(=O)c1ccc(Cl)cc1 ZINC000036042559 554151243 /nfs/dbraw/zinc/15/12/43/554151243.db2.gz IXCZSKQTPPRZIV-UHFFFAOYSA-N 0 0 515.013 5.858 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(F)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047488 554151780 /nfs/dbraw/zinc/15/17/80/554151780.db2.gz BWQIDZJKIIXGAG-UHFFFAOYSA-N 0 0 567.564 7.097 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccc(Cl)cc1Cl ZINC000098047565 554152603 /nfs/dbraw/zinc/15/26/03/554152603.db2.gz HWHNTPYWNJAKPH-UHFFFAOYSA-N 0 0 579.858 9.471 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1ccc(C)cc1 ZINC000036049267 554154878 /nfs/dbraw/zinc/15/48/78/554154878.db2.gz APCYIMKNWUNZQA-UHFFFAOYSA-N 0 0 510.594 5.132 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047700 554154987 /nfs/dbraw/zinc/15/49/87/554154987.db2.gz KSOHJBXGUONWTN-LJAQVGFWSA-N 0 0 572.061 6.183 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047817 554156389 /nfs/dbraw/zinc/15/63/89/554156389.db2.gz CRRFIUIIKNISEE-SSEXGKCCSA-N 0 0 651.810 8.081 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047842 554156634 /nfs/dbraw/zinc/15/66/34/554156634.db2.gz MWEMJARKKKZJGV-LJAQVGFWSA-N 0 0 623.775 8.512 50 30 KKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000098047899 554157437 /nfs/dbraw/zinc/15/74/37/554157437.db2.gz PBGFIPITPWIJOS-JOCHJYFZSA-N 0 0 562.482 5.215 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccccc1C ZINC000036052536 554158439 /nfs/dbraw/zinc/15/84/39/554158439.db2.gz YXLFMONLRHINTR-UHFFFAOYSA-N 0 0 515.013 5.777 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048040 554158913 /nfs/dbraw/zinc/15/89/13/554158913.db2.gz MTZASBOPPMJIGY-QMTYFTJSSA-N 0 0 544.604 6.331 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048049 554159227 /nfs/dbraw/zinc/15/92/27/554159227.db2.gz XHOUYEFJMAJKSB-WRHNGFHOSA-N 0 0 572.658 6.967 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048058 554159281 /nfs/dbraw/zinc/15/92/81/554159281.db2.gz RRNKGJXSCWJHCO-WZQKQDCOSA-N 0 0 560.603 5.949 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000098049118 554163340 /nfs/dbraw/zinc/16/33/40/554163340.db2.gz QGDZQMCMLRRUQJ-DNRSQYFGSA-N 0 0 535.662 5.131 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)O[C@H](CC)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000098050359 554173936 /nfs/dbraw/zinc/17/39/36/554173936.db2.gz MDLPSGYFQMSSOO-WJOKGBTCSA-N 0 0 507.674 8.541 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CCCCCCC)cc3)nc3ccccc32)cc1 ZINC000098050388 554174391 /nfs/dbraw/zinc/17/43/91/554174391.db2.gz HYVGGJBUHOETBI-UHFFFAOYSA-N 0 0 563.782 9.967 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050466 554174960 /nfs/dbraw/zinc/17/49/60/554174960.db2.gz IXEJZFPSIBKLLU-GDNVMHJUSA-N 0 0 586.526 7.107 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1)c1ccccc1 ZINC000098050558 554175248 /nfs/dbraw/zinc/17/52/48/554175248.db2.gz BQNPVCWPGNDZDX-UHFFFAOYSA-N 0 0 526.021 6.644 50 30 KKEARN Clc1cccc(Cl)c1/C=N/c1ccc2cc3ccc(/N=C/c4c(Cl)cccc4Cl)cc3nc2c1 ZINC000100007480 554178824 /nfs/dbraw/zinc/17/88/24/554178824.db2.gz LYRXFCCNMAMROL-KBVBXEEASA-N 0 0 523.250 9.503 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1 ZINC000036116032 554180413 /nfs/dbraw/zinc/18/04/13/554180413.db2.gz PCGDVJSRTSTURJ-DEOSSOPVSA-N 0 0 511.043 5.243 50 30 KKEARN CC(C)(C)c1cc(/C=N/C(C)(C)C(C)(C)/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000100015053 554181270 /nfs/dbraw/zinc/18/12/70/554181270.db2.gz ZTDNTQMYPZYXNP-DITNJDIQSA-N 0 0 548.856 9.383 50 30 KKEARN c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCOC[C@@H]2CO2)cc1)c1ccc(OCCOC[C@@H]2CO2)cc1 ZINC000100022390 554182162 /nfs/dbraw/zinc/18/21/62/554182162.db2.gz QWPTZLOWXIETLI-LOYHVIPDSA-N 0 0 550.651 5.638 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100021876 554182224 /nfs/dbraw/zinc/18/22/24/554182224.db2.gz GJYLSFCFHFUODO-UHFFFAOYSA-N 0 0 532.112 5.962 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(/C=N/Cc4cccc5ccccc54)c4ccccc4C3c3ccccc32)cc1 ZINC000100039291 554191547 /nfs/dbraw/zinc/19/15/47/554191547.db2.gz GCZGRNHNZZPSJD-LNUQQZDSSA-N 0 0 562.669 7.060 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1)Nc1ccc(Br)cc1 ZINC000100043182 554192948 /nfs/dbraw/zinc/19/29/48/554192948.db2.gz UWMJKVVGHCVISO-CCVNUDIWSA-N 0 0 548.487 7.399 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)Br ZINC000100045291 554193238 /nfs/dbraw/zinc/19/32/38/554193238.db2.gz IAAGCYUINJEWTK-PVQJCKRUSA-N 0 0 548.965 6.984 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000100045851 554193557 /nfs/dbraw/zinc/19/35/57/554193557.db2.gz HPWPTXMMPBCRFQ-SCZZXKLOSA-N 0 0 568.183 6.892 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1 ZINC000036122616 554194394 /nfs/dbraw/zinc/19/43/94/554194394.db2.gz HLHMGNYGOHSYTJ-VWLOTQADSA-N 0 0 503.668 5.898 50 30 KKEARN Brc1ccc(C2=NN(c3ccc(/C=N/n4cnnc4)cc3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000100055350 554195860 /nfs/dbraw/zinc/19/58/60/554195860.db2.gz WIATUOPGEFVMTJ-VELKRQBGSA-N 0 0 550.258 6.041 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(Cl)cc3Cl)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100056749 554196501 /nfs/dbraw/zinc/19/65/01/554196501.db2.gz KUBRVMCZCKHNES-AQLQTECXSA-N 0 0 562.503 8.984 50 30 KKEARN COc1ccc(C(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000100058070 554197334 /nfs/dbraw/zinc/19/73/34/554197334.db2.gz AKDHBQZPJMDRIT-UHFFFAOYSA-N 0 0 577.293 7.006 50 30 KKEARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccc(Cl)cc1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164236 554199754 /nfs/dbraw/zinc/19/97/54/554199754.db2.gz HTPAMJPIAKTTJU-SANMLTNESA-N 0 0 504.999 5.201 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000100074739 554203811 /nfs/dbraw/zinc/20/38/11/554203811.db2.gz OSYBYJGCGQGSND-JWGURIENSA-N 0 0 532.525 6.592 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100076624 554204555 /nfs/dbraw/zinc/20/45/55/554204555.db2.gz CIZHBHLDOQFAAS-CJAUYULYSA-N 0 0 540.454 5.868 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100077354 554205125 /nfs/dbraw/zinc/20/51/25/554205125.db2.gz LVIKTNZIOJIHFG-UBOZLPQGSA-N 0 0 551.683 6.979 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100077307 554205134 /nfs/dbraw/zinc/20/51/34/554205134.db2.gz OSHRVAZBLVYRAC-FYSMJZIKSA-N 0 0 560.872 6.130 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100077344 554205191 /nfs/dbraw/zinc/20/51/91/554205191.db2.gz LVIKTNZIOJIHFG-UTONBFNKSA-N 0 0 551.683 6.979 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000100078081 554205528 /nfs/dbraw/zinc/20/55/28/554205528.db2.gz QAITUAFBLRIOCC-MYUZEXMDSA-N 0 0 568.464 5.747 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000100079664 554206042 /nfs/dbraw/zinc/20/60/42/554206042.db2.gz KGDBLLAEZBFXTN-QXNWPYRLSA-N 0 0 547.139 7.424 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100079606 554206077 /nfs/dbraw/zinc/20/60/77/554206077.db2.gz RTRRAEQXNATUSI-WVXBCFDCSA-N 0 0 588.498 6.571 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100079943 554206450 /nfs/dbraw/zinc/20/64/50/554206450.db2.gz PJIHGRNVAHJACS-GTYOFVGBSA-N 0 0 559.659 5.867 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100081678 554207086 /nfs/dbraw/zinc/20/70/86/554207086.db2.gz SOERTBMTIWHFAJ-RUZDIDTESA-N 0 0 615.630 5.394 50 30 KKEARN CC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000100087028 554209291 /nfs/dbraw/zinc/20/92/91/554209291.db2.gz HGBKQJDNGBHJKS-JAYSWQADSA-N 0 0 552.483 5.457 50 30 KKEARN O=C1C[C@H](SC(=NC(c2ccccc2)c2ccccc2)Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000100088990 554210060 /nfs/dbraw/zinc/21/00/60/554210060.db2.gz CZQCNULUIKKXBD-SANMLTNESA-N 0 0 526.061 6.772 50 30 KKEARN O=C1C[C@H](SC(=NCc2ccc3c(c2)OCO3)Nc2ccccc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000100091726 554211870 /nfs/dbraw/zinc/21/18/70/554211870.db2.gz WHQZDHACDZYYDL-QFIPXVFZSA-N 0 0 559.978 5.426 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100103399 554220145 /nfs/dbraw/zinc/22/01/45/554220145.db2.gz PKAZIMLJGRYIMW-XKWLHOGNSA-N 0 0 628.575 9.193 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105640 554220510 /nfs/dbraw/zinc/22/05/10/554220510.db2.gz DNUOHZDKCPYLDL-PLHZELPKSA-N 0 0 550.414 6.668 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105647 554220515 /nfs/dbraw/zinc/22/05/15/554220515.db2.gz PDRLZSJKUPLACU-NGNZEAJZSA-N 0 0 564.441 6.711 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000100110645 554221480 /nfs/dbraw/zinc/22/14/80/554221480.db2.gz LANGQKRGGFYSCR-BQPAJTCCSA-N 0 0 580.440 6.677 50 30 KKEARN CCCCCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccccc1 ZINC000100110776 554221614 /nfs/dbraw/zinc/22/16/14/554221614.db2.gz UPTQVTYMJOKEON-MSSAIVSKSA-N 0 0 524.033 6.785 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OCC)c(OCC)c3)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000100111749 554221854 /nfs/dbraw/zinc/22/18/54/554221854.db2.gz DELICRFPZVPZAR-WJEDRFGESA-N 0 0 579.694 6.225 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000036522625 554224884 /nfs/dbraw/zinc/22/48/84/554224884.db2.gz MJHZOVCVBPPUHF-OVMXQCPESA-N 0 0 505.614 7.033 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 ZINC000036553489 554225202 /nfs/dbraw/zinc/22/52/02/554225202.db2.gz HHGVDNGTBOKVHB-JWMKGCOUSA-N 0 0 519.553 5.631 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100142004 554228259 /nfs/dbraw/zinc/22/82/59/554228259.db2.gz QQFWVDUPIOHYTC-AFJIDDCJSA-N 0 0 529.423 7.801 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000100142035 554228270 /nfs/dbraw/zinc/22/82/70/554228270.db2.gz LVYWWXMWWHDMLL-NHOCJEJCSA-N 0 0 540.619 7.656 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142401 554228521 /nfs/dbraw/zinc/22/85/21/554228521.db2.gz DFKQYWDRTNSGCL-MEXAFARESA-N 0 0 610.530 5.837 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142437 554228528 /nfs/dbraw/zinc/22/85/28/554228528.db2.gz IENRVARFXDWPET-CALDVZBHSA-N 0 0 549.624 5.214 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142405 554228579 /nfs/dbraw/zinc/22/85/79/554228579.db2.gz VJGCNQDRQGPRAU-RWGGASLPSA-N 0 0 600.524 6.382 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142447 554228605 /nfs/dbraw/zinc/22/86/05/554228605.db2.gz KIEWEFQCPOKHBG-MEXAFARESA-N 0 0 533.625 5.514 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000100154034 554232628 /nfs/dbraw/zinc/23/26/28/554232628.db2.gz MSDRXAIYGCYTQH-GFYZFDERSA-N 0 0 549.696 6.878 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000100155846 554232857 /nfs/dbraw/zinc/23/28/57/554232857.db2.gz DIVFRPOIEQMGFV-ZSQFBXSQSA-N 0 0 591.035 5.235 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100155840 554232888 /nfs/dbraw/zinc/23/28/88/554232888.db2.gz DUEFDAFIIDPJOJ-LGPLSSKUSA-N 0 0 591.035 5.235 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159858 554234050 /nfs/dbraw/zinc/23/40/50/554234050.db2.gz PDZSQQKWVWWDPD-HHCYOLOASA-N 0 0 562.515 6.549 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100162438 554235222 /nfs/dbraw/zinc/23/52/22/554235222.db2.gz SFBIGGSKRXCZBG-AYRHNUGRSA-N 0 0 624.587 5.600 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000100167098 554237098 /nfs/dbraw/zinc/23/70/98/554237098.db2.gz JHWSSVMZOHNASR-PCCYYTCNSA-N 0 0 559.791 9.154 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)C(=O)O2)cc1 ZINC000100167639 554237662 /nfs/dbraw/zinc/23/76/62/554237662.db2.gz INGPIEGDEOFBGF-MYYYXRDXSA-N 0 0 542.459 7.964 50 30 biogenic KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172203 554238770 /nfs/dbraw/zinc/23/87/70/554238770.db2.gz QCCSMRCOUPNMKQ-KSNOWIBYSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172972 554239362 /nfs/dbraw/zinc/23/93/62/554239362.db2.gz SFLNEOCAIDEMIH-PNTFMKQHSA-N 0 0 592.117 5.632 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccsc1 ZINC000100179325 554241480 /nfs/dbraw/zinc/24/14/80/554241480.db2.gz ZYHZGJAWFLRQLF-ACIOBRDBSA-N 0 0 582.600 5.514 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1cccc(Br)c1 ZINC000100186988 554242969 /nfs/dbraw/zinc/24/29/69/554242969.db2.gz AFJHWCKFHITISQ-UHFFFAOYSA-N 0 0 603.110 8.391 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2sc3c(c2c1=O)CCCC3 ZINC000100198545 554246377 /nfs/dbraw/zinc/24/63/77/554246377.db2.gz IBNCJCVDZOIDQF-UHFFFAOYSA-N 0 0 531.659 6.162 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000100214963 554249805 /nfs/dbraw/zinc/24/98/05/554249805.db2.gz FRQPUQHZUFMTGK-DEOSSOPVSA-N 0 0 536.411 6.322 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000100215447 554250056 /nfs/dbraw/zinc/25/00/56/554250056.db2.gz SCQKSHCCCKALHW-HSZRJFAPSA-N 0 0 524.375 6.453 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000100215480 554250129 /nfs/dbraw/zinc/25/01/29/554250129.db2.gz UZXDXXACOFSUNW-RUZDIDTESA-N 0 0 536.411 6.322 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000100215764 554250136 /nfs/dbraw/zinc/25/01/36/554250136.db2.gz WCDDWXOCFUNKSX-XMMPIXPASA-N 0 0 550.836 6.423 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100215368 554250142 /nfs/dbraw/zinc/25/01/42/554250142.db2.gz ZSOWUYDPUROSCY-AREMUKBSSA-N 0 0 550.438 6.713 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000100215832 554250259 /nfs/dbraw/zinc/25/02/59/554250259.db2.gz FSXYXDOOQPWGQB-DEOSSOPVSA-N 0 0 536.411 6.322 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100217215 554250893 /nfs/dbraw/zinc/25/08/93/554250893.db2.gz QULZJDPQUSCNMN-PYMNRZMWSA-N 0 0 591.686 5.092 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)n1 ZINC000037603170 554254591 /nfs/dbraw/zinc/25/45/91/554254591.db2.gz XKATYTXPXUJKJI-RUZDIDTESA-N 0 0 507.631 5.297 50 30 KKEARN CC(NCc1ccco1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000100230021 554255599 /nfs/dbraw/zinc/25/55/99/554255599.db2.gz FHCCWNSHFNIHKC-GYJUCFALSA-N 0 0 525.449 5.789 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000100230057 554255730 /nfs/dbraw/zinc/25/57/30/554255730.db2.gz ZBTACJUJVBZNIC-FWSOMWAYSA-N 0 0 547.519 8.585 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1OCC ZINC000100233396 554257823 /nfs/dbraw/zinc/25/78/23/554257823.db2.gz HMSLZYMIJYJEAR-NYLKEHOHSA-N 0 0 591.480 5.200 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1cccc(F)c1 ZINC000100233506 554257832 /nfs/dbraw/zinc/25/78/32/554257832.db2.gz VNMCZMBYAKBILZ-IUQJVVIISA-N 0 0 534.609 6.214 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C2=N)S1 ZINC000100268233 554268014 /nfs/dbraw/zinc/26/80/14/554268014.db2.gz WRAXHJYBSGWASX-FWPCCHCKSA-N 0 0 543.693 6.709 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(Br)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1 ZINC000100270849 554269704 /nfs/dbraw/zinc/26/97/04/554269704.db2.gz VGVVLARCKCQSJB-NCELDCMTSA-N 0 0 547.449 6.450 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OCC)c(OC)c1 ZINC000100272788 554270370 /nfs/dbraw/zinc/27/03/70/554270370.db2.gz ZZXUZVGYRKDITG-UHFFFAOYSA-N 0 0 567.107 6.777 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC)C2=O)cc1C ZINC000038194894 554274170 /nfs/dbraw/zinc/27/41/70/554274170.db2.gz PSOPICOSQXJAFJ-LGUFXXKBSA-N 0 0 517.720 7.194 50 30 KKEARN COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000038534804 554274917 /nfs/dbraw/zinc/27/49/17/554274917.db2.gz WWZDVADAFOSDQI-VJSJDFBDSA-N 0 0 508.961 5.835 50 30 KKEARN COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000038534802 554274927 /nfs/dbraw/zinc/27/49/27/554274927.db2.gz WWZDVADAFOSDQI-OQXJXCHTSA-N 0 0 508.961 5.835 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000039359632 554278905 /nfs/dbraw/zinc/27/89/05/554278905.db2.gz LMOAKJNJFBBFKF-HHHXNRCGSA-N 0 0 503.614 7.227 50 30 KKEARN COc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100286222 554280538 /nfs/dbraw/zinc/28/05/38/554280538.db2.gz GWJJHKARVPFBIU-HYAQMQRZSA-N 0 0 529.552 5.557 50 30 KKEARN CC(C)(C)c1cc(Br)cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1O ZINC000100291190 554284259 /nfs/dbraw/zinc/28/42/59/554284259.db2.gz NUHITCRRDQLGEP-NRFANRHFSA-N 0 0 519.476 6.311 50 30 KKEARN CC(C)(O[P@](=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc1ccccc1)C(F)(F)C(F)F ZINC000100293474 554285437 /nfs/dbraw/zinc/28/54/37/554285437.db2.gz VYHAXDHZLBPMGL-UUWRZZSWSA-N 0 0 548.232 7.354 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100293514 554285502 /nfs/dbraw/zinc/28/55/02/554285502.db2.gz VNNUFIPWIHOZBX-XXBNENTESA-N 0 0 586.343 8.205 50 30 KKEARN C=C[C@@H](C)C[C@@H](C)[C@H](OCc1ccc(OC)cc1)[C@H](COCc1ccc(OC)cc1)C1SCCCS1 ZINC000043763347 554299598 /nfs/dbraw/zinc/29/95/98/554299598.db2.gz LXMPBKPAHRKEQW-JJUMQRNRSA-N 0 0 530.796 7.467 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@@](COCc1ccc(OC)cc1)(COC(C)=O)OCc1ccccc1 ZINC000043763235 554299607 /nfs/dbraw/zinc/29/96/07/554299607.db2.gz KQCLPBRHYJCQFJ-FIRIVFDPSA-N 0 0 520.622 5.511 50 30 KKEARN COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000100312128 554301218 /nfs/dbraw/zinc/30/12/18/554301218.db2.gz DVWZOXQFHYLVLO-SQXXNEFHSA-N 0 0 534.681 7.255 50 30 KKEARN CCOc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000044858911 554306069 /nfs/dbraw/zinc/30/60/69/554306069.db2.gz MGNWFFFTGIBYOL-DEOSSOPVSA-N 0 0 524.543 6.211 50 30 KKEARN CC(C)(C)c1cc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=C2C=CC(=O)C=C2)cc(C(C)(C)C)c1O ZINC000045067734 554310959 /nfs/dbraw/zinc/31/09/59/554310959.db2.gz HWCTZDUKHQXYGL-UHFFFAOYSA-N 0 0 514.750 8.785 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100337676 554321522 /nfs/dbraw/zinc/32/15/22/554321522.db2.gz GWJUDITYULYGCY-FQEVSTJZSA-N 0 0 553.236 5.799 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348090 554330601 /nfs/dbraw/zinc/33/06/01/554330601.db2.gz YZHICOOXGKWGCD-FZWCJVCJSA-N 0 0 598.519 5.678 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348229 554330634 /nfs/dbraw/zinc/33/06/34/554330634.db2.gz VYJZQPWFOPFQHJ-FZWCJVCJSA-N 0 0 537.613 5.055 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc(Br)cc3)c2C#N)cc1 ZINC000053277306 554330947 /nfs/dbraw/zinc/33/09/47/554330947.db2.gz GGPAFGJOKNQPJD-UHFFFAOYSA-N 0 0 521.440 5.991 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000053290190 554331052 /nfs/dbraw/zinc/33/10/52/554331052.db2.gz CRAOHLXZXNEYDI-VWLOTQADSA-N 0 0 535.438 5.966 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291066 554331592 /nfs/dbraw/zinc/33/15/92/554331592.db2.gz ODVYKTCMUIHVJQ-QFIPXVFZSA-N 0 0 519.420 6.459 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053292007 554332236 /nfs/dbraw/zinc/33/22/36/554332236.db2.gz JWWFPGWIWROWTQ-SANMLTNESA-N 0 0 542.657 6.784 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053305727 554332764 /nfs/dbraw/zinc/33/27/64/554332764.db2.gz GXIBNXCFWYUMKK-QFIPXVFZSA-N 0 0 536.631 5.783 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1 ZINC000053306134 554333626 /nfs/dbraw/zinc/33/36/26/554333626.db2.gz GALRISVLVRGGEU-RUZDIDTESA-N 0 0 536.422 5.561 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000053306828 554334259 /nfs/dbraw/zinc/33/42/59/554334259.db2.gz CIDGPUWJDRFGAF-VWLOTQADSA-N 0 0 535.438 5.966 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053306769 554334379 /nfs/dbraw/zinc/33/43/79/554334379.db2.gz HNPKNKYDBWRWEB-SANMLTNESA-N 0 0 544.629 6.112 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053307119 554334665 /nfs/dbraw/zinc/33/46/65/554334665.db2.gz MJHMUYPLHVPMRY-XMMPIXPASA-N 0 0 529.574 6.003 50 30 KKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000053307244 554335058 /nfs/dbraw/zinc/33/50/58/554335058.db2.gz LLYWPZMAOVCHNV-FWUCURJTSA-N 0 0 537.660 7.449 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000053307340 554335089 /nfs/dbraw/zinc/33/50/89/554335089.db2.gz FUXUOMPBEXGQLS-NDEPHWFRSA-N 0 0 559.449 7.054 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000053319249 554336862 /nfs/dbraw/zinc/33/68/62/554336862.db2.gz LAPSBVORNIXTLS-QYTMHSNXSA-N 0 0 556.706 8.207 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000053319427 554337925 /nfs/dbraw/zinc/33/79/25/554337925.db2.gz SHOFXJQHOOYZOW-CPJLOUKISA-N 0 0 564.432 5.308 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(Br)cc3)S/C2=N\c2ccccc2)cc1 ZINC000100357490 554338113 /nfs/dbraw/zinc/33/81/13/554338113.db2.gz ZXSSRMDPFHNTQJ-SBGXGKRISA-N 0 0 538.467 5.661 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2ccccc2Cl)cc1 ZINC000053319492 554338376 /nfs/dbraw/zinc/33/83/76/554338376.db2.gz FKDDPJNBUHNRRE-KCEHZKJRSA-N 0 0 567.154 8.913 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000053319521 554338702 /nfs/dbraw/zinc/33/87/02/554338702.db2.gz XWMHSTMHZLKCHB-WMELESEDSA-N 0 0 593.123 8.238 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053332216 554338984 /nfs/dbraw/zinc/33/89/84/554338984.db2.gz ZAXUHVPMBSINAN-WGDIFIGCSA-N 0 0 554.624 5.806 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000053332540 554339000 /nfs/dbraw/zinc/33/90/00/554339000.db2.gz RNJCMLBCIKPKEI-QJWGWKRISA-N 0 0 572.467 8.739 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000053334011 554339786 /nfs/dbraw/zinc/33/97/86/554339786.db2.gz KOGLUBGNPXGHJU-ROTAYESASA-N 0 0 572.467 8.739 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053333872 554339867 /nfs/dbraw/zinc/33/98/67/554339867.db2.gz UUQHZQJXSWIVSX-VWLOTQADSA-N 0 0 530.602 5.809 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053334476 554340347 /nfs/dbraw/zinc/34/03/47/554340347.db2.gz ZVPXPEVPTJNXID-AREMUKBSSA-N 0 0 526.614 6.282 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000053336499 554341933 /nfs/dbraw/zinc/34/19/33/554341933.db2.gz QEWFQXCLQSYKSZ-LJAQVGFWSA-N 0 0 543.616 5.670 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000053337461 554342299 /nfs/dbraw/zinc/34/22/99/554342299.db2.gz FTADURQGAGNWSA-HTOJEEBVSA-N 0 0 570.733 8.747 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000053337825 554342369 /nfs/dbraw/zinc/34/23/69/554342369.db2.gz RKSIPBQZWQNQKA-MQNRADLISA-N 0 0 530.577 5.940 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053337951 554342537 /nfs/dbraw/zinc/34/25/37/554342537.db2.gz UYOVYQNSPYFGNZ-CPJLOUKISA-N 0 0 531.033 6.673 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053339296 554343517 /nfs/dbraw/zinc/34/35/17/554343517.db2.gz XJDOTSBAOJHQKT-CLYVBNDRSA-N 0 0 540.641 6.418 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3)C2)cc1 ZINC000053340455 554344250 /nfs/dbraw/zinc/34/42/50/554344250.db2.gz MZQADLLFFXIEQO-KPURRNSFSA-N 0 0 533.594 6.996 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3)C2)cc1 ZINC000053340463 554344278 /nfs/dbraw/zinc/34/42/78/554344278.db2.gz MZQADLLFFXIEQO-MNNSJKJDSA-N 0 0 533.594 6.996 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354708 554344738 /nfs/dbraw/zinc/34/47/38/554344738.db2.gz NAJLLHGWNKKCAO-QHCPKHFHSA-N 0 0 542.813 6.211 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000100375455 554359988 /nfs/dbraw/zinc/35/99/88/554359988.db2.gz UVGHJYSPSVMFSW-UHFFFAOYSA-N 0 0 581.540 7.293 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000100390736 554366695 /nfs/dbraw/zinc/36/66/95/554366695.db2.gz IAUKYKIVGLGZHK-LLTUXPTFSA-N 0 0 512.078 7.890 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100391762 554367279 /nfs/dbraw/zinc/36/72/79/554367279.db2.gz CZHLVYTYDLJEOL-VLTHUFASSA-N 0 0 523.485 8.119 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000059088148 554372063 /nfs/dbraw/zinc/37/20/63/554372063.db2.gz LEJBLDRJPDLRSM-IZLXSDGUSA-N 0 0 517.732 6.311 50 30 KKEARN N#CC1(c2cccc(C(=O)Nc3cc(Oc4ccc5nc(NC(=O)C6CC6)sc5n4)ccc3F)c2Cl)CC1 ZINC000059083294 554372201 /nfs/dbraw/zinc/37/22/01/554372201.db2.gz MDPMAXSABUPRJI-UHFFFAOYSA-N 0 0 547.999 6.432 50 30 in-vitro KKEARN CN(CCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000059211905 554385380 /nfs/dbraw/zinc/38/53/80/554385380.db2.gz SKUWACKFRNBBBY-UUILKARUSA-N 0 0 526.343 5.677 50 30 KKEARN O=C(/N=C1\S/C(=C/c2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1c1ccccc1)c1ccccc1 ZINC000059222121 554385578 /nfs/dbraw/zinc/38/55/78/554385578.db2.gz RYGPKZGREVJCOY-IOFNFFMJSA-N 0 0 540.644 7.736 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C(F)(F)[C@]1(F)C(F)(F)F ZINC000100425073 554386345 /nfs/dbraw/zinc/38/63/45/554386345.db2.gz XXIWRQOSNDBYRY-DUHBMQHGSA-N 0 0 500.070 6.353 50 30 KKEARN O=C(c1ccc(C#Cc2ccc(Sc3ccccc3)cc2)cc1)c1ccc(C#Cc2ccc(Sc3ccccc3)cc2)cc1 ZINC000100475329 554400655 /nfs/dbraw/zinc/40/06/55/554400655.db2.gz APKRFDAAQZYADH-UHFFFAOYSA-N 0 0 598.792 10.020 50 30 KKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OCCCCCCC)cc3)nc2)cc1 ZINC000100488007 554402675 /nfs/dbraw/zinc/40/26/75/554402675.db2.gz NAFMLJHWDUVALH-UHFFFAOYSA-N 0 0 547.692 8.218 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100499129 554405273 /nfs/dbraw/zinc/40/52/73/554405273.db2.gz NIYPZPQGNBLPAD-INIZCTEOSA-N 0 0 542.187 7.496 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(C)ccc1C ZINC000059524782 554405891 /nfs/dbraw/zinc/40/58/91/554405891.db2.gz CVMVXFNZQNBTEN-JIYROHSKSA-N 0 0 552.671 6.330 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)c(OC)cc1Br ZINC000059596025 554408582 /nfs/dbraw/zinc/40/85/82/554408582.db2.gz YCBDKRQXCXWNPC-KRXBEKAOSA-N 0 0 572.452 5.143 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3coc(-c4cccc(Cl)c4)c3)nc(N3CCOCC3)n2)cc1Cl ZINC000100517517 554408980 /nfs/dbraw/zinc/40/89/80/554408980.db2.gz GURCHUNSRCMZGT-DBFSUHOCSA-N 0 0 603.308 6.536 50 30 KKEARN CCOc1ccc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc1OC ZINC000100544086 554413404 /nfs/dbraw/zinc/41/34/04/554413404.db2.gz WUJDGYCUYFBJTR-VYYCAZPPSA-N 0 0 576.883 5.029 50 30 KKEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000059617272 554413642 /nfs/dbraw/zinc/41/36/42/554413642.db2.gz IGHWDVCZZMJYQH-UHFFFAOYSA-N 0 0 588.806 5.174 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100550249 554414676 /nfs/dbraw/zinc/41/46/76/554414676.db2.gz YMUOTQDQFMUMNW-UKJJDJLKSA-N 0 0 553.655 6.078 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100550803 554414697 /nfs/dbraw/zinc/41/46/97/554414697.db2.gz QLBKATVESTXVBE-MNNSJKJDSA-N 0 0 548.466 6.977 50 30 KKEARN CC1(C)CC(=O)C(=CNc2ccc(C(=O)c3ccccc3)cc2NC=C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100551977 554415050 /nfs/dbraw/zinc/41/50/50/554415050.db2.gz HWEXPUVHEMRQBT-UHFFFAOYSA-N 0 0 512.606 5.426 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000100552356 554415063 /nfs/dbraw/zinc/41/50/63/554415063.db2.gz AUQWYBAKCDNTOD-JRPXNJEYSA-N 0 0 590.072 6.047 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100552187 554415068 /nfs/dbraw/zinc/41/50/68/554415068.db2.gz KGUWVOXEWIEIMH-JPZYQRIQSA-N 0 0 618.524 6.450 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000059626773 554415163 /nfs/dbraw/zinc/41/51/63/554415163.db2.gz UQHBKEKIVCEODL-RCRUUEGKSA-N 0 0 543.063 6.666 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100556707 554416314 /nfs/dbraw/zinc/41/63/14/554416314.db2.gz WOFLXKHCJHZUJA-SMSORMJASA-N 0 0 542.031 6.216 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100556446 554416372 /nfs/dbraw/zinc/41/63/72/554416372.db2.gz AIEMBPNUZVCPNN-OOOSNSGVSA-N 0 0 581.665 6.124 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100557510 554416864 /nfs/dbraw/zinc/41/68/64/554416864.db2.gz JFINWHAGRNLNSQ-OIXWISFJSA-N 0 0 554.481 6.170 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100557466 554416904 /nfs/dbraw/zinc/41/69/04/554416904.db2.gz FMTVNPGDULBHRC-HFJWLAOPSA-N 0 0 620.993 6.865 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100558532 554417212 /nfs/dbraw/zinc/41/72/12/554417212.db2.gz LURAVMQWYGXCNR-XYFQYJLHSA-N 0 0 537.656 6.241 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100558942 554417553 /nfs/dbraw/zinc/41/75/53/554417553.db2.gz NTROTUSUXZALSM-AFMDSPMNSA-N 0 0 540.454 5.781 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100559599 554417574 /nfs/dbraw/zinc/41/75/74/554417574.db2.gz YLDRQZWRUAOEIV-FKAPRUDGSA-N 0 0 541.091 6.554 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100561554 554418073 /nfs/dbraw/zinc/41/80/73/554418073.db2.gz ZRPPTSWNJVOPLN-ZORMNXRFSA-N 0 0 551.683 6.835 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000100561787 554418368 /nfs/dbraw/zinc/41/83/68/554418368.db2.gz VASDZXMKSPFRGD-UBOZLPQGSA-N 0 0 586.128 7.488 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561764 554418382 /nfs/dbraw/zinc/41/83/82/554418382.db2.gz NHSDRWCENVXPMA-UBOZLPQGSA-N 0 0 586.128 7.285 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561896 554418391 /nfs/dbraw/zinc/41/83/91/554418391.db2.gz KFSXTXBQKBPDCH-JFCALYOJSA-N 0 0 538.084 6.841 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100564876 554419366 /nfs/dbraw/zinc/41/93/66/554419366.db2.gz BYWFUOMQBBBQDB-JHOBJCJYSA-N 0 0 602.525 6.701 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(I)c1 ZINC000100568169 554420560 /nfs/dbraw/zinc/42/05/60/554420560.db2.gz GUAHTABZVNTTPO-NBGIEHNGSA-N 0 0 541.429 5.996 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100567846 554420654 /nfs/dbraw/zinc/42/06/54/554420654.db2.gz PTZOLHBIXMMYEV-DNOBIOAJSA-N 0 0 550.449 6.025 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100569952 554421630 /nfs/dbraw/zinc/42/16/30/554421630.db2.gz PBOGOKGUFAHOBR-FKQNOWLHSA-N 0 0 563.676 5.314 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000100570165 554421659 /nfs/dbraw/zinc/42/16/59/554421659.db2.gz LGBATHSBCCWLIL-WRQBUUCKSA-N 0 0 545.514 5.734 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100573294 554422125 /nfs/dbraw/zinc/42/21/25/554422125.db2.gz HMSLXYWQUMROCC-WENCNXQZSA-N 0 0 603.027 5.961 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100574721 554422427 /nfs/dbraw/zinc/42/24/27/554422427.db2.gz URTYCWZEHRLZDX-HRFSGMKKSA-N 0 0 570.480 5.408 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100576005 554423433 /nfs/dbraw/zinc/42/34/33/554423433.db2.gz VFNCMGGDZGDMLW-DWXRJYCRSA-N 0 0 604.925 6.148 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000100576026 554423580 /nfs/dbraw/zinc/42/35/80/554423580.db2.gz IAZBIUXATMFCNK-PIIWDFAUSA-N 0 0 536.068 6.682 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100583193 554425399 /nfs/dbraw/zinc/42/53/99/554425399.db2.gz NBGFRSMHANGMDW-WKRVVKTRSA-N 0 0 604.099 6.437 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(S[C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)c1OC ZINC000100583688 554425782 /nfs/dbraw/zinc/42/57/82/554425782.db2.gz AJQSTANSZGEQAX-MHZLTWQESA-N 0 0 535.625 6.037 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706361 554425931 /nfs/dbraw/zinc/42/59/31/554425931.db2.gz HQFQZOTVWDDPPX-IEWVHIKDSA-N 0 0 537.656 6.241 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706400 554426315 /nfs/dbraw/zinc/42/63/15/554426315.db2.gz OSSKRQSOTDTIOW-GVYVVWIYSA-N 0 0 564.726 6.689 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588027 554427307 /nfs/dbraw/zinc/42/73/07/554427307.db2.gz DSRPAMMUSFLZJP-XRHLQHRESA-N 0 0 600.506 5.884 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100588003 554427405 /nfs/dbraw/zinc/42/74/05/554427405.db2.gz OKHONEOBQLADDU-RCRUUEGKSA-N 0 0 549.664 5.814 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000059758367 554428123 /nfs/dbraw/zinc/42/81/23/554428123.db2.gz XKNBWZPORBCEHI-HSZRJFAPSA-N 0 0 546.722 5.754 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100593302 554429196 /nfs/dbraw/zinc/42/91/96/554429196.db2.gz JCCHLPNDXOLUEW-WKRVVKTRSA-N 0 0 561.675 6.046 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100593278 554429201 /nfs/dbraw/zinc/42/92/01/554429201.db2.gz XSXODRCWRKHFEX-SIBVEZHUSA-N 0 0 545.554 5.274 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597794 554430703 /nfs/dbraw/zinc/43/07/03/554430703.db2.gz LIVLIZDKKZYOQG-PBBNMVCDSA-N 0 0 567.704 5.466 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597883 554430987 /nfs/dbraw/zinc/43/09/87/554430987.db2.gz NSXSKOJPXCCJJU-URAOTHONSA-N 0 0 547.648 5.656 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100600081 554431522 /nfs/dbraw/zinc/43/15/22/554431522.db2.gz LGSLFLGFTDVEAZ-NXYYRJHCSA-N 0 0 614.533 6.187 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100600101 554431593 /nfs/dbraw/zinc/43/15/93/554431593.db2.gz DWEAFXJQMMECRF-HRFSGMKKSA-N 0 0 575.649 6.381 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)c(OC)cc1Br ZINC000100608078 554432282 /nfs/dbraw/zinc/43/22/82/554432282.db2.gz HARBPMCCCVMCBB-XMMPIXPASA-N 0 0 527.415 5.082 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)c(OC)cc1Br ZINC000100608075 554432298 /nfs/dbraw/zinc/43/22/98/554432298.db2.gz HARBPMCCCVMCBB-DEOSSOPVSA-N 0 0 527.415 5.082 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000100619027 554434108 /nfs/dbraw/zinc/43/41/08/554434108.db2.gz RTNXTDZMSOPJFG-HTDPGAKESA-N 0 0 615.711 5.445 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100636188 554435760 /nfs/dbraw/zinc/43/57/60/554435760.db2.gz QZUOLJPLVDZZEN-DICHSLLOSA-N 0 0 537.656 6.587 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100636186 554435820 /nfs/dbraw/zinc/43/58/20/554435820.db2.gz QZUOLJPLVDZZEN-XYFQYJLHSA-N 0 0 537.656 6.587 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OCC ZINC000100642181 554436252 /nfs/dbraw/zinc/43/62/52/554436252.db2.gz RBAKALFGVKZWRC-SVOMUSEKSA-N 0 0 583.508 6.063 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650561 554437104 /nfs/dbraw/zinc/43/71/04/554437104.db2.gz SUVHLSGGZRPDHU-HHHXNRCGSA-N 0 0 558.476 6.879 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650417 554437108 /nfs/dbraw/zinc/43/71/08/554437108.db2.gz DKCRBDOWUHAKJR-NRFANRHFSA-N 0 0 545.275 5.849 50 30 KKEARN CCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100657971 554438192 /nfs/dbraw/zinc/43/81/92/554438192.db2.gz LRHHJRZUKBHACW-UHFFFAOYSA-N 0 0 587.898 8.120 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1=C1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000100660269 554438468 /nfs/dbraw/zinc/43/84/68/554438468.db2.gz MAJBDWQUVDTCDL-RWESQFFUSA-N 0 0 616.760 10.228 50 30 KKEARN O=C1C(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C2=O)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000100660277 554438482 /nfs/dbraw/zinc/43/84/82/554438482.db2.gz LNVGQORMYRDBIW-UHFFFAOYSA-N 0 0 614.744 10.281 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000100669686 554440661 /nfs/dbraw/zinc/44/06/61/554440661.db2.gz KFSBDFPFQFPWQD-ACSYHNTCSA-N 0 0 542.607 5.852 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669460 554440681 /nfs/dbraw/zinc/44/06/81/554440681.db2.gz ZTCJSNNBQMAOMF-NFQMXDRXSA-N 0 0 581.432 7.468 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000100669927 554441021 /nfs/dbraw/zinc/44/10/21/554441021.db2.gz OHCQYJFGPKSQHY-NRFANRHFSA-N 0 0 539.779 6.728 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000100674613 554442936 /nfs/dbraw/zinc/44/29/36/554442936.db2.gz CPLRUZKKBSEYQG-PMERELPUSA-N 0 0 543.660 6.368 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000100674952 554443382 /nfs/dbraw/zinc/44/33/82/554443382.db2.gz NCHIRTZQVFQWBK-LJAQVGFWSA-N 0 0 571.605 5.287 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677745 554444706 /nfs/dbraw/zinc/44/47/06/554444706.db2.gz NOTZBEHHZQLBHN-QFIPXVFZSA-N 0 0 536.625 6.156 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000100680014 554445963 /nfs/dbraw/zinc/44/59/63/554445963.db2.gz OAKALDDLHSHELM-XMMPIXPASA-N 0 0 546.645 6.065 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000100681172 554447507 /nfs/dbraw/zinc/44/75/07/554447507.db2.gz ONQGCYXYUYTZLE-SVEHJYQDSA-N 0 0 551.680 6.200 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681182 554447514 /nfs/dbraw/zinc/44/75/14/554447514.db2.gz SLAPORDPOPICCN-MFMCTBQISA-N 0 0 541.644 6.202 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059844525 554448007 /nfs/dbraw/zinc/44/80/07/554448007.db2.gz HCHAZMKINHPORA-BBXQPJIDSA-N 0 0 534.565 5.035 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3N2)cc1OC ZINC000059845042 554448590 /nfs/dbraw/zinc/44/85/90/554448590.db2.gz MNYLKNJCPQYLIF-CBJTVTONSA-N 0 0 545.587 5.871 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100690373 554449892 /nfs/dbraw/zinc/44/98/92/554449892.db2.gz ANWOKUZHLLLICN-FQRUVTKNSA-N 0 0 556.522 6.116 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000100690511 554449933 /nfs/dbraw/zinc/44/99/33/554449933.db2.gz YTKPKXCUPUVGMV-DWXRJYCRSA-N 0 0 570.505 5.836 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100690377 554449934 /nfs/dbraw/zinc/44/99/34/554449934.db2.gz ANWOKUZHLLLICN-IBVKSMDESA-N 0 0 556.522 6.116 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000100693431 554450506 /nfs/dbraw/zinc/45/05/06/554450506.db2.gz IRIGEYLWPIVNCD-RUZDIDTESA-N 0 0 555.052 8.534 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000100699827 554451337 /nfs/dbraw/zinc/45/13/37/554451337.db2.gz JJDWLKAJMPTAGS-OAQYLSRUSA-N 0 0 502.939 7.079 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000100701601 554452005 /nfs/dbraw/zinc/45/20/05/554452005.db2.gz QUOSMCFHZJLUNC-NRFANRHFSA-N 0 0 543.432 8.140 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000100701576 554452011 /nfs/dbraw/zinc/45/20/11/554452011.db2.gz FSFLGJKHCZBOEB-NRFANRHFSA-N 0 0 577.877 8.793 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000100705452 554452736 /nfs/dbraw/zinc/45/27/36/554452736.db2.gz MPELJBNYRLUICT-IPBJYNAHSA-N 0 0 545.676 6.340 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccccc1 ZINC000100709797 554453336 /nfs/dbraw/zinc/45/33/36/554453336.db2.gz UTIVHWRGNKJPEC-WDYNHAJCSA-N 0 0 531.759 6.620 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000100722462 554456258 /nfs/dbraw/zinc/45/62/58/554456258.db2.gz CZGXELKPGUEALF-OAQYLSRUSA-N 0 0 552.336 9.284 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000100726589 554457147 /nfs/dbraw/zinc/45/71/47/554457147.db2.gz ABKOQMACWHMPJP-XMMPIXPASA-N 0 0 567.067 8.275 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728554 554458410 /nfs/dbraw/zinc/45/84/10/554458410.db2.gz GOTUGELRNGXUFK-OCXQEGGUSA-N 0 0 549.117 6.351 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCS(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000100728227 554458498 /nfs/dbraw/zinc/45/84/98/554458498.db2.gz NCTCPZWZLRJLJD-UHFFFAOYSA-N 0 0 542.726 7.159 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@@H](O)C[S@@](=O)Cc1ccccc1 ZINC000100728482 554458519 /nfs/dbraw/zinc/45/85/19/554458519.db2.gz UIJDLOUTLRCUGU-CGDLVVIGSA-N 0 0 563.542 6.452 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728564 554458733 /nfs/dbraw/zinc/45/87/33/554458733.db2.gz GOTUGELRNGXUFK-JCKZUQBPSA-N 0 0 549.117 6.351 50 30 KKEARN N#Cc1c(SC[C@H](O)C[S@@](=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728642 554458752 /nfs/dbraw/zinc/45/87/52/554458752.db2.gz RGZHNYDWZIRYGD-ZCWHBTPQSA-N 0 0 525.120 6.404 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@](=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000100728593 554458759 /nfs/dbraw/zinc/45/87/59/554458759.db2.gz URCWKIBFXYDUPU-JJDPYXMGSA-N 0 0 556.753 6.854 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100732001 554460222 /nfs/dbraw/zinc/46/02/22/554460222.db2.gz DZTLLLXFKVJZDB-QTLGCAHFSA-N 0 0 558.458 5.716 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100732830 554460733 /nfs/dbraw/zinc/46/07/33/554460733.db2.gz CIFFIGAFEKNHJI-LXLYTFERSA-N 0 0 581.665 6.201 50 30 KKEARN O=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100748072 554465538 /nfs/dbraw/zinc/46/55/38/554465538.db2.gz MAHBLQWRBFIQLX-UHFFFAOYSA-N 0 0 518.067 6.126 50 30 KKEARN C=CCNC(=O)Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)NCC=C)cc3)c(F)c2F)cc1 ZINC000100747841 554465621 /nfs/dbraw/zinc/46/56/21/554465621.db2.gz CAIXWGAMQJWUCO-UHFFFAOYSA-N 0 0 530.478 6.443 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000100749765 554465995 /nfs/dbraw/zinc/46/59/95/554465995.db2.gz NLDZZYCNELDGKC-SBGXGKRISA-N 0 0 538.467 6.008 50 30 KKEARN CC(=O)/C(=N\Nc1cccc([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100766071 554469824 /nfs/dbraw/zinc/46/98/24/554469824.db2.gz DYNACFPZGKAYOB-XAYXJRQQSA-N 0 0 527.393 6.256 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(F)cc3)C2=O)SC1=S ZINC000100776656 554471915 /nfs/dbraw/zinc/47/19/15/554471915.db2.gz NMZTXUZWUOENQN-VHXPQNKSSA-N 0 0 525.671 5.743 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCC)C2=O)cc1 ZINC000100784109 554472507 /nfs/dbraw/zinc/47/25/07/554472507.db2.gz PZZYLHQRWMHIKV-MEFGMAGPSA-N 0 0 531.747 7.666 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCC)C2=O)cc1C ZINC000100791462 554472995 /nfs/dbraw/zinc/47/29/95/554472995.db2.gz ATPCFFKWBPXIHS-HFTWOUSFSA-N 0 0 545.774 7.974 50 30 KKEARN CCOC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100792627 554473313 /nfs/dbraw/zinc/47/33/13/554473313.db2.gz BZMXLWAZPQTHMN-JJKYIXSRSA-N 0 0 526.449 6.630 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000100798558 554474203 /nfs/dbraw/zinc/47/42/03/554474203.db2.gz UPCUSLCTKHAPFE-HFTWOUSFSA-N 0 0 547.790 8.198 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000100812333 554475193 /nfs/dbraw/zinc/47/51/93/554475193.db2.gz UGAKWIOOXYVLFF-POTDNYQPSA-N 0 0 542.513 5.083 50 30 KKEARN O=C(CC1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100844067 554490602 /nfs/dbraw/zinc/49/06/02/554490602.db2.gz KVVJBHCZWDXPFH-IHJFARBGSA-N 0 0 523.412 5.022 50 30 KKEARN O=C(Nc1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100852881 554493075 /nfs/dbraw/zinc/49/30/75/554493075.db2.gz CDZZEZXBDAJBDW-UHFFFAOYSA-N 0 0 558.068 7.306 50 30 KKEARN COc1ccc(-c2csc(C3=C(N)N(C[C@]4(C)CCC[C@]5(C)c6ccc(C(C)C)cc6CC[C@H]45)CC3=O)n2)cc1OC ZINC000060044981 554497644 /nfs/dbraw/zinc/49/76/44/554497644.db2.gz ZRSJTZZHZQWVNB-JHOVWCEZSA-N 0 0 585.814 7.173 50 30 biogenic KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000100871001 554498366 /nfs/dbraw/zinc/49/83/66/554498366.db2.gz MMBXNTCQCWNKHX-XHPQRKPJSA-N 0 0 535.735 7.118 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S ZINC000100871158 554498429 /nfs/dbraw/zinc/49/84/29/554498429.db2.gz BIFMDSJZOBCXMX-USHMODERSA-N 0 0 547.790 8.054 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000100871497 554499649 /nfs/dbraw/zinc/49/96/49/554499649.db2.gz KRCFDUGKKXMFQO-WARZKSMQSA-N 0 0 544.626 7.448 50 30 KKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000060272577 554504673 /nfs/dbraw/zinc/50/46/73/554504673.db2.gz LWRNQOBXRHWPGE-ZPAAKOCQSA-N 0 0 512.081 6.148 50 30 KKEARN CC(C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(CN3CCOCC3)c2O)c(O)c(CN2CCOCC2)c1 ZINC000060290845 554504973 /nfs/dbraw/zinc/50/49/73/554504973.db2.gz ZSDPYCVORQDIHQ-JNQSWXLUSA-N 0 0 632.890 6.206 50 30 KKEARN C=C(C)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000060290662 554504952 /nfs/dbraw/zinc/50/49/52/554504952.db2.gz QJCKBPDVTNESEF-UHFFFAOYSA-N 0 0 570.695 6.118 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC1=S ZINC000100893593 554513230 /nfs/dbraw/zinc/51/32/30/554513230.db2.gz FEEIQWPSSDAYFN-FCQUAONHSA-N 0 0 543.552 6.928 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc2c1nc1ccccn1c2=O ZINC000100905166 554515595 /nfs/dbraw/zinc/51/55/95/554515595.db2.gz GOIIPHKQKJSORE-UHFFFAOYSA-N 0 0 565.058 6.011 50 30 KKEARN CCCCCCCCCCCCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1cccc(C(F)(F)F)c1 ZINC000100911240 554517533 /nfs/dbraw/zinc/51/75/33/554517533.db2.gz JLIRKVNDBFMSDE-UHFFFAOYSA-N 0 0 563.730 8.613 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2sc3c(c2c1=O)CCC3 ZINC000100912523 554518213 /nfs/dbraw/zinc/51/82/13/554518213.db2.gz HZRMTNGMRPSOJT-UHFFFAOYSA-N 0 0 537.736 5.680 50 30 KKEARN CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC ZINC000064858285 554518258 /nfs/dbraw/zinc/51/82/58/554518258.db2.gz UVHUBDICYDPLIO-HHHXNRCGSA-O 0 0 552.754 7.036 50 30 in-vitro KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 ZINC000100921211 554521338 /nfs/dbraw/zinc/52/13/38/554521338.db2.gz ZYEMIXBSUYOKEW-XLNRJJMWSA-N 0 0 503.089 6.626 50 30 KKEARN CCCCCCCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCCCCCCC)cc2)cc1 ZINC000100923765 554523159 /nfs/dbraw/zinc/52/31/59/554523159.db2.gz PQYIAUCWRVXZAR-UHFFFAOYSA-N 0 0 562.725 6.304 50 30 KKEARN Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2Br)nc(N)c1Br ZINC000100931821 554527510 /nfs/dbraw/zinc/52/75/10/554527510.db2.gz IOVIHNSVZRTQTC-UHFFFAOYSA-N 0 0 514.181 5.480 50 30 KKEARN N#CC1(C#N)[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000066091568 554528261 /nfs/dbraw/zinc/52/82/61/554528261.db2.gz XLMJMYIGVIBKLG-MJOCGKAJSA-N 0 0 518.563 6.656 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000100935060 554529132 /nfs/dbraw/zinc/52/91/32/554529132.db2.gz JCMWKXWVHGAMAW-PMERELPUSA-N 0 0 534.578 6.214 50 30 KKEARN CNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000068572860 554539747 /nfs/dbraw/zinc/53/97/47/554539747.db2.gz IYLLODMXTXESBD-UHFFFAOYSA-N 0 0 546.156 5.763 50 30 KKEARN Clc1ccc(Cc2c(/N=C/c3ccc(OCc4ccccc4)cc3)n[nH]c2/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000068572109 554539759 /nfs/dbraw/zinc/53/97/59/554539759.db2.gz QPEJJFQHBGCMMI-FQMUTUERSA-N 0 0 611.145 9.313 50 30 KKEARN Cc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575166 554540284 /nfs/dbraw/zinc/54/02/84/554540284.db2.gz HBEGRPKGFOCQBM-UHFFFAOYSA-N 0 0 553.212 6.943 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000100988753 554549366 /nfs/dbraw/zinc/54/93/66/554549366.db2.gz PISHDDWOARROEA-ZSFKFEAESA-N 0 0 603.443 5.516 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1-c1ccccc1 ZINC000100988729 554549380 /nfs/dbraw/zinc/54/93/80/554549380.db2.gz ZVFYUXPFVKNQMT-MJHDJXAISA-N 0 0 558.446 5.608 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100988716 554549426 /nfs/dbraw/zinc/54/94/26/554549426.db2.gz LKDGMIJMRMNVEC-JSTWGCDDSA-N 0 0 558.446 5.608 50 30 KKEARN N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=c1/s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100989134 554549670 /nfs/dbraw/zinc/54/96/70/554549670.db2.gz FFUQWZSTLTUJPU-IEFCGKBOSA-N 0 0 592.891 6.261 50 30 KKEARN Brc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(I)c5)nc4c3)o2)cc1 ZINC000100991256 554550064 /nfs/dbraw/zinc/55/00/64/554550064.db2.gz XVBDSCHPYNOSKM-MZJWZYIUSA-N 0 0 569.196 7.873 50 30 KKEARN Cc1ccc(S(=O)(=O)N=C2CC(=C(C(=O)c3ccccc3)C(=O)c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000100999373 554552030 /nfs/dbraw/zinc/55/20/30/554552030.db2.gz WDBJRCLNRQPSBH-MDVFONAFSA-N 0 0 533.605 5.678 50 30 KKEARN CCCCCCCCOC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)OCCCCCCCC)C2=O)SC1=S ZINC000101000112 554552226 /nfs/dbraw/zinc/55/22/26/554552226.db2.gz VODOYYYMSAGWNU-WCWDXBQESA-N 0 0 630.920 6.506 50 30 KKEARN CCN1c2ccc(Br)cc2/C(=C2/S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)C1=O ZINC000101008231 554556320 /nfs/dbraw/zinc/55/63/20/554556320.db2.gz WOFNZEFDVRACSB-DNCIHIQVSA-N 0 0 560.517 7.228 50 30 KKEARN CCCCCCCC[C@@H](O)c1ccc2c(c1)OCCOCCOc1ccc([C@H](O)CCCCCCCC)cc1OCCOCCO2 ZINC000101011307 554558057 /nfs/dbraw/zinc/55/80/57/554558057.db2.gz LRQDDDXIBBXZBZ-KKLWWLSJSA-N 0 0 644.890 8.517 50 30 KKEARN CCCCCCCCCCCCCCCCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101012588 554558448 /nfs/dbraw/zinc/55/84/48/554558448.db2.gz OTQFGXYOTAFRBQ-UHFFFAOYSA-N 0 0 539.009 8.706 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O ZINC000101018395 554561338 /nfs/dbraw/zinc/56/13/38/554561338.db2.gz JPFHMQXZBYMACU-NKFKGCMQSA-N 0 0 520.724 6.177 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000101022620 554561965 /nfs/dbraw/zinc/56/19/65/554561965.db2.gz LDXALNGCTWLDHS-MRXNPFEDSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)[C@H](Oc2ccccc2)C(=O)Nc2ccccc2Cl)cc1 ZINC000101022629 554561999 /nfs/dbraw/zinc/56/19/99/554561999.db2.gz XFWWVXXKJHMZAY-LHEWISCISA-N 0 0 647.300 10.809 50 30 KKEARN O=C(Oc1ccc(Br)cc1/C=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000101057682 554569744 /nfs/dbraw/zinc/56/97/44/554569744.db2.gz KJBOJDFFPZPVOZ-OGLMXYFKSA-N 0 0 501.336 6.994 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)ccc1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101060227 554570203 /nfs/dbraw/zinc/57/02/03/554570203.db2.gz UARRLMHSMRBBNJ-PUAOIOHZSA-N 0 0 532.463 6.669 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069914 554574609 /nfs/dbraw/zinc/57/46/09/554574609.db2.gz JRBRXFPHOKSFLY-YDJIHCHBSA-N 0 0 513.185 5.838 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000101071421 554575705 /nfs/dbraw/zinc/57/57/05/554575705.db2.gz NLIWNOFAPKXMLI-HXUWFJFHSA-N 0 0 519.827 6.147 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000101072665 554576235 /nfs/dbraw/zinc/57/62/35/554576235.db2.gz KDVOCGNAOZCTKZ-XTZYZTJQSA-N 0 0 586.223 6.236 50 30 KKEARN O=C(Nc1ccc(Br)cc1)C(Nc1ccc(Br)cc1)=C(Cl)C=Nc1ccc(Br)cc1 ZINC000101075648 554577207 /nfs/dbraw/zinc/57/72/07/554577207.db2.gz GBTYIHOESHXBMX-WJZRPGOGSA-N 0 0 612.547 7.878 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1ccc(OC)cc1 ZINC000101075473 554577216 /nfs/dbraw/zinc/57/72/16/554577216.db2.gz KUZKAXPQEOQKEM-HGQJUGFDSA-N 0 0 534.037 6.432 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101078634 554578493 /nfs/dbraw/zinc/57/84/93/554578493.db2.gz KDWUEILZCWOQGW-HVAQTUQNSA-N 0 0 540.483 7.573 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000101081548 554579147 /nfs/dbraw/zinc/57/91/47/554579147.db2.gz HIPFIEAGHIQZKV-LMCHCYRTSA-N 0 0 524.380 5.028 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)SC1=S ZINC000101085274 554580498 /nfs/dbraw/zinc/58/04/98/554580498.db2.gz UKLBRXJIGHIQJI-PLRJNAJWSA-N 0 0 505.709 7.110 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1 ZINC000101100028 554586798 /nfs/dbraw/zinc/58/67/98/554586798.db2.gz URQFCPNLRMUDFS-VRLIQKKKSA-N 0 0 533.613 6.574 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000101101125 554588015 /nfs/dbraw/zinc/58/80/15/554588015.db2.gz HTFHKLCZQXKMMI-WGGXKBPPSA-N 0 0 605.529 5.481 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101236 554588070 /nfs/dbraw/zinc/58/80/70/554588070.db2.gz DWKYDHCMBARGNA-TXTDGAROSA-N 0 0 591.502 5.090 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101651 554638787 /nfs/dbraw/zinc/63/87/87/554638787.db2.gz WLJIJLIESWJZLD-UVDRRRQGSA-N 0 0 577.456 6.073 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101519 554638872 /nfs/dbraw/zinc/63/88/72/554638872.db2.gz QLTDDCIANGJKIY-MRJHHRETSA-N 0 0 505.393 5.994 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000101105099 554639906 /nfs/dbraw/zinc/63/99/06/554639906.db2.gz QHYVOTOOOJICPE-FPQJKWOGSA-N 0 0 543.587 5.464 50 30 KKEARN CSc1nc2c(c(C#N)nn2[C@@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@H](COC(=O)c3ccc(C)cc3)O2)c(SC)n1 ZINC000101121112 554643871 /nfs/dbraw/zinc/64/38/71/554643871.db2.gz DJEFRDMMTKQMEN-VABKMULXSA-N 0 0 589.699 5.129 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000101123972 554644435 /nfs/dbraw/zinc/64/44/35/554644435.db2.gz LHNXFOWPNNPQQI-VFCFBJKWSA-N 0 0 537.710 6.856 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000101125723 554645144 /nfs/dbraw/zinc/64/51/44/554645144.db2.gz WXFRTQLZBGAHCD-XPWALMASSA-N 0 0 524.429 5.856 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1OC ZINC000101140113 554652745 /nfs/dbraw/zinc/65/27/45/554652745.db2.gz PZKMGCGFFLXUQV-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C/c5ccccc5Cl)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101143895 554655437 /nfs/dbraw/zinc/65/54/37/554655437.db2.gz GHRPKYOQHSQXCD-VNODALHLSA-N 0 0 548.002 6.776 50 30 KKEARN N#Cc1ccc(C#N)c2cc(/C=C/c3ccc(/C=C\c4ccc5c(C#N)ccc(C#N)c5c4)cc3Br)ccc12 ZINC000101144559 554655659 /nfs/dbraw/zinc/65/56/59/554655659.db2.gz JDSKAINDZBCROD-AFCKVHGPSA-N 0 0 561.442 8.583 50 30 KKEARN CN(C)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1/N=C/c1cc(OC(=O)C(C)(C)C)cc(C(C)(C)C)c1O)C(C)(C)C ZINC000101145438 554655870 /nfs/dbraw/zinc/65/58/70/554655870.db2.gz BOFCLIFENISFHX-ZIKUWVHDSA-N 0 0 574.832 5.338 50 30 KKEARN C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000101160367 554659592 /nfs/dbraw/zinc/65/95/92/554659592.db2.gz QZBOOUYJYRBALA-TWKHWXDSSA-N 0 0 587.662 7.248 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101184895 554668978 /nfs/dbraw/zinc/66/89/78/554668978.db2.gz KLSOVDNTXBCZPG-UHFFFAOYSA-N 0 0 552.498 7.670 50 30 KKEARN O[C@@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000101192535 554671004 /nfs/dbraw/zinc/67/10/04/554671004.db2.gz FEWFKWUKPDBDJZ-GFCCVEGCSA-N 0 0 613.137 6.868 50 30 KKEARN O[C@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000101192534 554671055 /nfs/dbraw/zinc/67/10/55/554671055.db2.gz FEWFKWUKPDBDJZ-LBPRGKRZSA-N 0 0 613.137 6.868 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2C)cc1OC ZINC000101194631 554671851 /nfs/dbraw/zinc/67/18/51/554671851.db2.gz FAJGJBUIKWZWIV-UKJJDJLKSA-N 0 0 537.656 6.160 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204449 554674398 /nfs/dbraw/zinc/67/43/98/554674398.db2.gz YXQYFFBBVLTWIJ-AFJIDDCJSA-N 0 0 628.560 6.579 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1c(Cl)cccc1Cl ZINC000101207258 554676738 /nfs/dbraw/zinc/67/67/38/554676738.db2.gz DDLVOBTZHWZYLI-UHFFFAOYSA-N 0 0 576.546 6.672 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000101208956 554678060 /nfs/dbraw/zinc/67/80/60/554678060.db2.gz FPABKSAMCAANSD-UHFFFAOYSA-N 0 0 523.395 6.252 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(Cl)c1 ZINC000101210029 554678693 /nfs/dbraw/zinc/67/86/93/554678693.db2.gz XRNQHHBIRGECBN-DEOSSOPVSA-N 0 0 529.489 6.197 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101212683 554679759 /nfs/dbraw/zinc/67/97/59/554679759.db2.gz YYJZXPBXHCDNCV-IJAHGLKVSA-N 0 0 627.734 6.485 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101212643 554679778 /nfs/dbraw/zinc/67/97/78/554679778.db2.gz OBVILJUOKJDDBH-GDJIYFAZSA-N 0 0 616.574 6.133 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101212641 554679782 /nfs/dbraw/zinc/67/97/82/554679782.db2.gz OBVILJUOKJDDBH-WHLCRQNOSA-N 0 0 616.574 6.133 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212704 554679795 /nfs/dbraw/zinc/67/97/95/554679795.db2.gz HICRACYKWJQTCJ-WKRVVKTRSA-N 0 0 618.524 6.580 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212877 554680034 /nfs/dbraw/zinc/68/00/34/554680034.db2.gz VPKPSLHVOJYBGT-JKFCTSDTSA-N 0 0 581.709 6.844 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101212974 554680180 /nfs/dbraw/zinc/68/01/80/554680180.db2.gz ISKLWHLJHACPOJ-WHLCRQNOSA-N 0 0 614.533 6.276 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101212940 554680195 /nfs/dbraw/zinc/68/01/95/554680195.db2.gz IPRRXGLCVOALEK-CLYVBNDRSA-N 0 0 600.506 5.885 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101213000 554680204 /nfs/dbraw/zinc/68/02/04/554680204.db2.gz GXJLDZQVJQVCEJ-JQJBXXCASA-N 0 0 583.681 5.956 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101218272 554685255 /nfs/dbraw/zinc/68/52/55/554685255.db2.gz TXOVODMKFJIZKQ-UVMFRMCBSA-N 0 0 611.691 5.785 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218303 554685287 /nfs/dbraw/zinc/68/52/87/554685287.db2.gz ZWKGRFQRENBPSE-UKZNZPTOSA-N 0 0 629.753 7.430 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218206 554685294 /nfs/dbraw/zinc/68/52/94/554685294.db2.gz OLEOOCSRPJRCNO-UKAMOKOYSA-N 0 0 581.709 6.986 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101218074 554685315 /nfs/dbraw/zinc/68/53/15/554685315.db2.gz DZRDBDSDWREQQL-RBBQXQBVSA-N 0 0 603.712 6.265 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101218412 554685476 /nfs/dbraw/zinc/68/54/76/554685476.db2.gz AOBFIWQULBMMTC-DNOBIOAJSA-N 0 0 632.573 5.838 50 30 KKEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218549 554685637 /nfs/dbraw/zinc/68/56/37/554685637.db2.gz RCZVIPHYSONCQA-UHFFFAOYSA-N 0 0 615.678 5.183 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218573 554685651 /nfs/dbraw/zinc/68/56/51/554685651.db2.gz JTJGEIOCZJRKDZ-UHFFFAOYSA-N 0 0 530.650 5.062 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101218642 554685903 /nfs/dbraw/zinc/68/59/03/554685903.db2.gz PJSZRQSGVXQJKF-SFRLIIPVSA-N 0 0 597.708 6.606 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101218597 554685930 /nfs/dbraw/zinc/68/59/30/554685930.db2.gz ZCIBPDLQUXDVRG-UKJJDJLKSA-N 0 0 597.664 5.474 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218770 554685943 /nfs/dbraw/zinc/68/59/43/554685943.db2.gz COVYFIKNESRRQS-UHFFFAOYSA-N 0 0 559.450 5.801 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101220638 554686574 /nfs/dbraw/zinc/68/65/74/554686574.db2.gz YDLKXNUOYMRMNH-HMILPKGGSA-N 0 0 630.532 5.425 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220700 554686897 /nfs/dbraw/zinc/68/68/97/554686897.db2.gz USAYIPKJDYEBOI-NRUKRWIHSA-N 0 0 607.700 5.358 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCCCCSc1nc3sc4c(c3c(=O)n1CC=C)CCCC4)sc1c2CCCC1 ZINC000101229748 554689198 /nfs/dbraw/zinc/68/91/98/554689198.db2.gz NDOGHXOUOKTSKX-UHFFFAOYSA-N 0 0 610.896 7.024 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237400 554691903 /nfs/dbraw/zinc/69/19/03/554691903.db2.gz FAXYYQGOUHWXJG-RPLLCQBOSA-N 0 0 566.624 5.114 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCCCc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237546 554692228 /nfs/dbraw/zinc/69/22/28/554692228.db2.gz JVYSSBPPHPEVNX-IGKIAQTJSA-N 0 0 568.640 5.218 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(C)c3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101237857 554692426 /nfs/dbraw/zinc/69/24/26/554692426.db2.gz PHEKOYTZOQPBRI-WNJJXGMVSA-N 0 0 555.078 5.555 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237944 554692553 /nfs/dbraw/zinc/69/25/53/554692553.db2.gz AOKXRZUWAZKPDO-UIOOFZCWSA-N 0 0 564.539 5.573 50 30 KKEARN C=CCN1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3cccc(F)c3)N(C(=O)C(C)C)CC4)o2)CC1 ZINC000101250143 554694060 /nfs/dbraw/zinc/69/40/60/554694060.db2.gz FOFDZMKMUIUNME-PMERELPUSA-N 0 0 545.655 5.072 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(F)c(Br)c2)C(=O)/C(=C/c2ccc(F)c(Br)c2)C1 ZINC000101257773 554697058 /nfs/dbraw/zinc/69/70/58/554697058.db2.gz KJZVJWWSXNNDGE-BEQMOXJMSA-N 0 0 538.270 8.372 50 30 KKEARN CC(C)(C)C1C/C(=C\c2ccc(F)c(Br)c2)C(=O)/C(=C/c2ccc(F)c(Br)c2)C1 ZINC000101257782 554697076 /nfs/dbraw/zinc/69/70/76/554697076.db2.gz AODFKZMKZAIWIS-GONBZBRSSA-N 0 0 524.243 7.982 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287768 554706589 /nfs/dbraw/zinc/70/65/89/554706589.db2.gz SDZHNVPQYIHVDO-AYWGPLOBSA-N 0 0 505.368 5.031 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1 ZINC000101288111 554706594 /nfs/dbraw/zinc/70/65/94/554706594.db2.gz LEPQQSJQAGMDNJ-LJAQVGFWSA-N 0 0 545.668 7.223 50 30 KKEARN C=CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101292015 554708818 /nfs/dbraw/zinc/70/88/18/554708818.db2.gz OHZSSIAJTNZMLE-HATVSKDLSA-N 0 0 621.520 7.540 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294070 554710573 /nfs/dbraw/zinc/71/05/73/554710573.db2.gz HPYGWPOQIVBTHZ-CZNAVJSXSA-N 0 0 526.614 6.058 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101299760 554713295 /nfs/dbraw/zinc/71/32/95/554713295.db2.gz IWAUXYIKNSLHME-CZNAVJSXSA-N 0 0 542.613 5.813 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310229 554717260 /nfs/dbraw/zinc/71/72/60/554717260.db2.gz LCHFLHGLYGFMFJ-JRWYTTBRSA-N 0 0 596.705 6.826 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310398 554717828 /nfs/dbraw/zinc/71/78/28/554717828.db2.gz RCUZGQCEUPZHOD-MIOXIQPJSA-N 0 0 541.600 5.086 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310423 554717860 /nfs/dbraw/zinc/71/78/60/554717860.db2.gz JGKATELTAKIPPK-TXTDGAROSA-N 0 0 584.650 5.966 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310403 554717898 /nfs/dbraw/zinc/71/78/98/554717898.db2.gz NQZLKHBYFBSDFB-TXTDGAROSA-N 0 0 527.573 5.043 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310433 554718090 /nfs/dbraw/zinc/71/80/90/554718090.db2.gz WCRQFNUAPCZIIH-MIOXIQPJSA-N 0 0 614.676 6.056 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313250 554721708 /nfs/dbraw/zinc/72/17/08/554721708.db2.gz DPFALXPUURIMSH-RXDXAXPSSA-N 0 0 540.641 6.421 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000101313295 554721836 /nfs/dbraw/zinc/72/18/36/554721836.db2.gz RVNWFJVHBYCJGU-AYWGPLOBSA-N 0 0 505.368 5.031 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313707 554722223 /nfs/dbraw/zinc/72/22/23/554722223.db2.gz DSCIFORAMALDTG-RPUIFAKWSA-N 0 0 560.628 5.143 50 30 KKEARN CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000101321796 554728223 /nfs/dbraw/zinc/72/82/23/554728223.db2.gz DPRPQHIEDLQJEH-FGZHOGPDSA-N 0 0 595.669 7.357 50 30 KKEARN CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000101321794 554728230 /nfs/dbraw/zinc/72/82/30/554728230.db2.gz DPRPQHIEDLQJEH-SZPZYZBQSA-N 0 0 595.669 7.357 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)C1=S ZINC000101331372 554732164 /nfs/dbraw/zinc/73/21/64/554732164.db2.gz GBCUEXFPDZQMPY-PVOMABQWSA-N 0 0 547.577 6.245 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)C1=S ZINC000101331377 554732173 /nfs/dbraw/zinc/73/21/73/554732173.db2.gz GBCUEXFPDZQMPY-SWKFUYSRSA-N 0 0 547.577 6.245 50 30 KKEARN CCCCCCCCCCCC[C@H](CCC(=O)NOCc1ccccc1)C(=O)NOCc1ccccc1 ZINC000101356780 554740515 /nfs/dbraw/zinc/74/05/15/554740515.db2.gz SEUQKFSZJIZJJH-GDLZYMKVSA-N 0 0 510.719 7.190 50 30 KKEARN C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000101362760 554743525 /nfs/dbraw/zinc/74/35/25/554743525.db2.gz CVYMUAVTDYLWFR-UHFFFAOYSA-N 0 0 557.492 5.418 50 30 KKEARN C=CCn1c(SCc2cc(F)ccc2Br)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367797 554744167 /nfs/dbraw/zinc/74/41/67/554744167.db2.gz BHDAEWPLPHNPAA-UHFFFAOYSA-N 0 0 621.532 7.566 50 30 KKEARN C=CCn1c(SCc2ccc(C)c(F)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367816 554744206 /nfs/dbraw/zinc/74/42/06/554744206.db2.gz ZOZXBHSDOOYEQR-UHFFFAOYSA-N 0 0 556.663 7.112 50 30 KKEARN COc1ccc2c(c1)c(CC(=O)C=C1NCCc3cc(OC)c(OC)cc31)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000101370934 554744393 /nfs/dbraw/zinc/74/43/93/554744393.db2.gz UXQRJWKDIMAMQO-DICXZTSXSA-N 0 0 545.035 5.616 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@H](c3cc(Br)c4c(c3)OCCO4)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000101372552 554744900 /nfs/dbraw/zinc/74/49/00/554744900.db2.gz UKFSWOCLRDGDNR-LJQANCHMSA-N 0 0 552.465 5.877 50 30 KKEARN Cc1c(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000101474300 554781986 /nfs/dbraw/zinc/78/19/86/554781986.db2.gz MNXDKWXDLTUETH-SJKPHHSNSA-N 0 0 511.625 7.131 50 30 KKEARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3 ZINC000101489718 554785791 /nfs/dbraw/zinc/78/57/91/554785791.db2.gz NLNGEZUYPUZVNH-GAFYLIDDSA-N 0 0 572.702 6.794 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000101633044 554811921 /nfs/dbraw/zinc/81/19/21/554811921.db2.gz HWFRBCCOKXECLU-USJIPDHTSA-N 0 0 540.179 8.167 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000101635867 554812905 /nfs/dbraw/zinc/81/29/05/554812905.db2.gz WVBJEYCRTQSVEB-SYAIXCBXSA-N 0 0 507.590 7.414 50 30 KKEARN N#CCCSC1=C(SCCC#N)SC(=C2SC(SCCC#N)=C(SCCC#N)S2)S1 ZINC000101644067 554814823 /nfs/dbraw/zinc/81/48/23/554814823.db2.gz OFNXHINRTQFOKX-UHFFFAOYSA-N 0 0 544.890 7.914 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(OC)c(Cl)c1)CC1(CCCCC1)O2 ZINC000101680742 554828487 /nfs/dbraw/zinc/82/84/87/554828487.db2.gz GZAZEZWPUREXSB-XHLNEMQHSA-N 0 0 532.062 5.467 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(C)cc(C)cc1C)C[C@](C)(c1cccnc1)O2 ZINC000101683706 554828861 /nfs/dbraw/zinc/82/88/61/554828861.db2.gz NUYJJRIZFXKBID-YAQMJYIASA-N 0 0 532.666 5.337 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(C)cc(C)cc1C)C[C@@](C)(c1cccnc1)O2 ZINC000101683702 554828873 /nfs/dbraw/zinc/82/88/73/554828873.db2.gz NUYJJRIZFXKBID-NXQFTLHTSA-N 0 0 532.666 5.337 50 30 KKEARN CCOc1ccc2c(c1)C(=NN=C1c3cc(OCC)ccc3-c3ccc(OCC)cc31)c1cc(OCC)ccc1-2 ZINC000101836652 554841949 /nfs/dbraw/zinc/84/19/49/554841949.db2.gz VSUSLRDGESHTSD-UHFFFAOYSA-N 0 0 532.640 7.532 50 30 KKEARN CCOc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(OC)c(OC)c1OC)CCCCC2 ZINC000101892878 554846714 /nfs/dbraw/zinc/84/67/14/554846714.db2.gz FRSCXXYNDUADOT-STBIYBPSSA-N 0 0 508.640 6.444 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000101909085 554849142 /nfs/dbraw/zinc/84/91/42/554849142.db2.gz QEYZTSBBFRRISY-XPABLWIASA-N 0 0 512.609 6.211 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc2c1nc1ccc(C)cn1c2=O ZINC000101910766 554849726 /nfs/dbraw/zinc/84/97/26/554849726.db2.gz PBVRUFLQJGUAMM-UHFFFAOYSA-N 0 0 550.669 5.727 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1cc(Br)ccc1O ZINC000102047913 554870514 /nfs/dbraw/zinc/87/05/14/554870514.db2.gz IZUGUTBOFWNZAF-RCDICMHDSA-N 0 0 534.435 5.653 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc(OC)c1OC ZINC000102051691 554871424 /nfs/dbraw/zinc/87/14/24/554871424.db2.gz RKOUFMYWFOYDAV-KCWXNJEJSA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(-c3ccccc3)cc2)cc1OC ZINC000102052626 554871905 /nfs/dbraw/zinc/87/19/05/554871905.db2.gz DNKKBJAVWDGVCG-IEWVHIKDSA-N 0 0 569.661 6.808 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000102052712 554871919 /nfs/dbraw/zinc/87/19/19/554871919.db2.gz AJOYEPAQKDBFFA-KMRXNPHXSA-N 0 0 536.632 5.207 50 30 KKEARN CCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000102055081 554872579 /nfs/dbraw/zinc/87/25/79/554872579.db2.gz KGFFMDHJGJOGLX-YTTGMZPUSA-N 0 0 504.715 9.196 50 30 KKEARN O=C(Nc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057042 554873132 /nfs/dbraw/zinc/87/31/32/554873132.db2.gz GKEADYAOYMPNAT-UHFFFAOYSA-N 0 0 523.623 6.408 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102076524 554874616 /nfs/dbraw/zinc/87/46/16/554874616.db2.gz OBFLSFPLBSAUBE-IYGWJSLMSA-N 0 0 504.608 5.518 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076596 554874800 /nfs/dbraw/zinc/87/48/00/554874800.db2.gz RAEKSADRALQULQ-WKUSSTJHSA-N 0 0 589.113 7.324 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102076530 554874841 /nfs/dbraw/zinc/87/48/41/554874841.db2.gz OBFLSFPLBSAUBE-GOBYDPEUSA-N 0 0 504.608 5.518 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3OC)N(CCc3ccccc3)C1=O)S2 ZINC000102145090 554889283 /nfs/dbraw/zinc/88/92/83/554889283.db2.gz PNRXEJPAGBYUDE-GZCDXWOBSA-N 0 0 503.649 5.921 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(Br)c3)N(C3CCCCC3)C1=O)S2 ZINC000102152885 554889613 /nfs/dbraw/zinc/88/96/13/554889613.db2.gz XLPOCLGXJWZRIQ-NPGCFZLRSA-N 0 0 530.513 6.765 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 ZINC000102274543 554906129 /nfs/dbraw/zinc/90/61/29/554906129.db2.gz NGQORPCQGKUTKG-UHFFFAOYSA-N 0 0 539.683 5.026 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000102309107 554909537 /nfs/dbraw/zinc/90/95/37/554909537.db2.gz IEZYDVPBCINKPR-PIJNJCDPSA-N 0 0 578.134 5.139 50 30 KKEARN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000102311498 554909764 /nfs/dbraw/zinc/90/97/64/554909764.db2.gz VZFIUAFFXORRFQ-MBALSZOMSA-N 0 0 538.646 10.092 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OC)c(OCc4ccccc4)c3)C2)cc1OC ZINC000102411119 554923531 /nfs/dbraw/zinc/92/35/31/554923531.db2.gz FZSAXAZZLWDYFN-CHJDUVSTSA-N 0 0 538.604 5.299 50 30 KKEARN CC1(C)[C@@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000102413089 554923944 /nfs/dbraw/zinc/92/39/44/554923944.db2.gz MCTLDBHTGRHQBK-HSZRJFAPSA-N 0 0 598.519 7.376 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](n2oc(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)C1(C)C ZINC000102414672 554924600 /nfs/dbraw/zinc/92/46/00/554924600.db2.gz IWHYQIZGXAUCEP-QFIPXVFZSA-N 0 0 602.346 7.396 50 30 KKEARN CCC(NCCCCCCNC(CC)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O ZINC000102440439 554929436 /nfs/dbraw/zinc/92/94/36/554929436.db2.gz QUSVPQPNJRIPFV-BLVCXSLXSA-N 0 0 588.742 5.022 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)c([C@@H](C#N)c3ccc(C)cc3)cc2C)c1 ZINC000102452417 554932943 /nfs/dbraw/zinc/93/29/43/554932943.db2.gz ARANBGHHIUXVLJ-AHKZPQOWSA-N 0 0 547.677 5.076 50 30 KKEARN CCOc1cc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc(Br)c1OC(C)C ZINC000102452704 554933135 /nfs/dbraw/zinc/93/31/35/554933135.db2.gz XLDZXBILRLZLBC-SANMLTNESA-N 0 0 546.465 7.265 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102485515 554938201 /nfs/dbraw/zinc/93/82/01/554938201.db2.gz SNHPLTDNFDAGEC-HFEWCJDKSA-N 0 0 504.564 5.458 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102491556 554939282 /nfs/dbraw/zinc/93/92/82/554939282.db2.gz FPBOBMAAYHODOF-ZHHPLPSFSA-N 0 0 504.633 6.506 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102491150 554939359 /nfs/dbraw/zinc/93/93/59/554939359.db2.gz IMBXFKDURFJZGX-QMMFTLRZSA-N 0 0 593.721 8.406 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102493932 554940074 /nfs/dbraw/zinc/94/00/74/554940074.db2.gz YFMMPSDCJLXJSE-ZHHPLPSFSA-N 0 0 516.575 5.339 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496170 554940529 /nfs/dbraw/zinc/94/05/29/554940529.db2.gz ANOHNDVBKVHJGX-ZHHPLPSFSA-N 0 0 534.565 5.396 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102496214 554940595 /nfs/dbraw/zinc/94/05/95/554940595.db2.gz SBBVCXPLSXAVRR-HFEWCJDKSA-N 0 0 536.631 5.627 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102496146 554940622 /nfs/dbraw/zinc/94/06/22/554940622.db2.gz JMUZLPSQYUDVLF-ZORLYMSLSA-N 0 0 596.650 9.661 50 30 KKEARN COc1cccc(CN2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000102501474 554943076 /nfs/dbraw/zinc/94/30/76/554943076.db2.gz MABYUOKPDFBOJE-NDEPHWFRSA-N 0 0 606.519 5.953 50 30 KKEARN COc1cccc(CN2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000102501469 554943168 /nfs/dbraw/zinc/94/31/68/554943168.db2.gz MABYUOKPDFBOJE-MUUNZHRXSA-N 0 0 606.519 5.953 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102503616 554943985 /nfs/dbraw/zinc/94/39/85/554943985.db2.gz COLGSWUNYBFBOL-YQYJTONYSA-N 0 0 618.730 6.510 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102503470 554943995 /nfs/dbraw/zinc/94/39/95/554943995.db2.gz XUJCSSREDOPDNV-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102506145 554944512 /nfs/dbraw/zinc/94/45/12/554944512.db2.gz VSPNJRUFQBXQLS-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102507779 554945215 /nfs/dbraw/zinc/94/52/15/554945215.db2.gz XZNOTYCMIVQNGG-VEZPTTSMSA-N 0 0 617.068 10.006 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102511575 554946467 /nfs/dbraw/zinc/94/64/67/554946467.db2.gz UQWUGRQCZKVAHF-ZHHPLPSFSA-N 0 0 514.559 5.026 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102514145 554947250 /nfs/dbraw/zinc/94/72/50/554947250.db2.gz XITMPCCVTWKNOU-NPJIAGGLSA-N 0 0 560.628 5.656 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102515080 554947557 /nfs/dbraw/zinc/94/75/57/554947557.db2.gz QTQLUJUSCMGJTR-SBXHHDGASA-N 0 0 519.022 6.708 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102526196 554951939 /nfs/dbraw/zinc/95/19/39/554951939.db2.gz SPPCKRLCKHVVIX-MOBKVPTQSA-N 0 0 535.419 6.002 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102525744 554951944 /nfs/dbraw/zinc/95/19/44/554951944.db2.gz UDXHKGCNAFOZTK-BUANBSPESA-N 0 0 504.995 6.201 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102527080 554952506 /nfs/dbraw/zinc/95/25/06/554952506.db2.gz OHQWVWAYJYBHEI-SOIUSXPSSA-N 0 0 504.380 5.394 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102527914 554952867 /nfs/dbraw/zinc/95/28/67/554952867.db2.gz ZLRCSMNYQPKYJS-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102530393 554953576 /nfs/dbraw/zinc/95/35/76/554953576.db2.gz ZOFDVIFIUIWMMJ-UVDRRRQGSA-N 0 0 519.022 6.592 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102531788 554954236 /nfs/dbraw/zinc/95/42/36/554954236.db2.gz LDQYQNCHKKKGMT-AYWGPLOBSA-N 0 0 507.384 5.255 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102535777 554955305 /nfs/dbraw/zinc/95/53/05/554955305.db2.gz ALENWTZXHGELJI-QMMFTLRZSA-N 0 0 518.613 6.153 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102539000 554956847 /nfs/dbraw/zinc/95/68/47/554956847.db2.gz CLNWWNCDIFPOHU-NPJIAGGLSA-N 0 0 514.603 6.028 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102539084 554956867 /nfs/dbraw/zinc/95/68/67/554956867.db2.gz UDETZAVCIXRWOY-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102541768 554957529 /nfs/dbraw/zinc/95/75/29/554957529.db2.gz PZGAFXPWDXNIGL-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102545245 554958783 /nfs/dbraw/zinc/95/87/83/554958783.db2.gz DWXADWUZUJCYGA-YMOXJMBTSA-N 0 0 540.641 6.262 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547266 554959662 /nfs/dbraw/zinc/95/96/62/554959662.db2.gz ZVUXVOHNCRCTPF-NSOCNUKWSA-N 0 0 596.661 5.767 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102547734 554959970 /nfs/dbraw/zinc/95/99/70/554959970.db2.gz PPHSSSXZZLUXAL-NXLSWJSLSA-N 0 0 502.567 6.023 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547944 554960189 /nfs/dbraw/zinc/96/01/89/554960189.db2.gz OHLUARWFYYYBDU-JRPVAJNPSA-N 0 0 556.596 5.041 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102550012 554961252 /nfs/dbraw/zinc/96/12/52/554961252.db2.gz RHGCYTDVJKCSHW-NPJIAGGLSA-N 0 0 576.627 5.274 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102551179 554962001 /nfs/dbraw/zinc/96/20/01/554962001.db2.gz OAQSHCBKPZGRDM-VEZPTTSMSA-N 0 0 533.628 5.657 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102552158 554962512 /nfs/dbraw/zinc/96/25/12/554962512.db2.gz WWZHAVGWAWFVKL-SZYGQJGOSA-N 0 0 577.633 6.057 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102554485 554963773 /nfs/dbraw/zinc/96/37/73/554963773.db2.gz MHBNDLVOLHEHES-OUDMSJPASA-N 0 0 540.641 6.262 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557055 554964984 /nfs/dbraw/zinc/96/49/84/554964984.db2.gz JBXMZPWYVMVXPR-GRBPGWBESA-N 0 0 602.684 6.963 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102557469 554965264 /nfs/dbraw/zinc/96/52/64/554965264.db2.gz BXBOPXKYVOKMOI-FCLPXNLHSA-N 0 0 525.645 6.243 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558870 554966294 /nfs/dbraw/zinc/96/62/94/554966294.db2.gz DOBNJMBPYNCHIW-UJWLLDLUSA-N 0 0 561.059 6.688 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102559936 554967108 /nfs/dbraw/zinc/96/71/08/554967108.db2.gz SQXQRYOKLRHIHU-QMMFTLRZSA-N 0 0 583.169 9.151 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc1OC ZINC000102560374 554967661 /nfs/dbraw/zinc/96/76/61/554967661.db2.gz CNGZIZNNVJIDBZ-YIKPVDIZSA-N 0 0 515.404 5.087 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102561654 554968330 /nfs/dbraw/zinc/96/83/30/554968330.db2.gz LOTMYGWIBBGJJT-NSOCNUKWSA-N 0 0 620.724 6.156 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102563509 554969123 /nfs/dbraw/zinc/96/91/23/554969123.db2.gz AHXZCISSIWCXCE-NXLSWJSLSA-N 0 0 519.022 6.537 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102563576 554969158 /nfs/dbraw/zinc/96/91/58/554969158.db2.gz FRCSDTSAPPYJJD-QMDVFYPZSA-N 0 0 584.694 6.824 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563433 554969173 /nfs/dbraw/zinc/96/91/73/554969173.db2.gz ASSWTIKYSWKHEJ-XTUFCYCQSA-N 0 0 583.666 5.774 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568917 554970111 /nfs/dbraw/zinc/97/01/11/554970111.db2.gz GYPXYUOVEMRLPW-FSISNWKMSA-N 0 0 516.550 5.394 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102605985 554978735 /nfs/dbraw/zinc/97/87/35/554978735.db2.gz SXINAUJAQVTOLW-XCSSDTEYSA-N 0 0 524.598 5.672 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606185 554978989 /nfs/dbraw/zinc/97/89/89/554978989.db2.gz KWYMGPGDZMEXFC-DXPJPUQTSA-N 0 0 544.604 6.331 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102608944 554980506 /nfs/dbraw/zinc/98/05/06/554980506.db2.gz QCMMDOSYTRQXQC-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)O2)c1C#N ZINC000102618451 554985550 /nfs/dbraw/zinc/98/55/50/554985550.db2.gz CPLJSFRUASKIEN-MUUNZHRXSA-N 0 0 595.450 5.028 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102620270 554986576 /nfs/dbraw/zinc/98/65/76/554986576.db2.gz PHIBLTKXJSFJQB-RFAFYKRUSA-N 0 0 542.613 5.653 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102642489 554991029 /nfs/dbraw/zinc/99/10/29/554991029.db2.gz LURQGGUXUZDHOQ-ZCCBWQDPSA-N 0 0 545.635 6.253 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102644064 554991422 /nfs/dbraw/zinc/99/14/22/554991422.db2.gz DLIKPPISLSMYPZ-JNYBUSFRSA-N 0 0 565.622 6.203 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102644403 554991676 /nfs/dbraw/zinc/99/16/76/554991676.db2.gz JAKWBXFAUFNBJK-NEMSTITPSA-N 0 0 518.407 5.437 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102648217 554994058 /nfs/dbraw/zinc/99/40/58/554994058.db2.gz OHQWVWAYJYBHEI-RPUIFAKWSA-N 0 0 504.380 5.394 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102652015 554996590 /nfs/dbraw/zinc/99/65/90/554996590.db2.gz BGVFESSXRRYENF-HTUFKCTLSA-N 0 0 542.613 5.572 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102652559 554996945 /nfs/dbraw/zinc/99/69/45/554996945.db2.gz MYUVHRGEGQOLGL-BGLRTBKGSA-N 0 0 572.639 5.662 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102653155 554997167 /nfs/dbraw/zinc/99/71/67/554997167.db2.gz VRAWDZRFMYEJGL-VSFGEHDGSA-N 0 0 602.712 7.442 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102653698 554997349 /nfs/dbraw/zinc/99/73/49/554997349.db2.gz HIKLZJMTTJPYPL-FZIUWASMSA-N 0 0 558.612 5.359 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102654654 554997693 /nfs/dbraw/zinc/99/76/93/554997693.db2.gz MESFOXYNDGTVDM-FZIYRNTBSA-N 0 0 540.641 6.343 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655035 554998032 /nfs/dbraw/zinc/99/80/32/554998032.db2.gz PCDGDWLUGBWKLS-QBTYMPIYSA-N 0 0 575.086 7.078 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102655757 554998679 /nfs/dbraw/zinc/99/86/79/554998679.db2.gz FRCSDTSAPPYJJD-HYVCFMKYSA-N 0 0 584.694 6.824 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102658867 554999819 /nfs/dbraw/zinc/99/98/19/554999819.db2.gz JVMTWIZMZVBYIA-WKHTWXOLSA-N 0 0 504.589 5.316 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S ZINC000102679672 555005137 /nfs/dbraw/zinc/00/51/37/555005137.db2.gz BLGORGXDBIUPDO-VFCFBJKWSA-N 0 0 547.790 8.197 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000102681335 555005616 /nfs/dbraw/zinc/00/56/16/555005616.db2.gz NPPOWWAVLLTMKO-XRKRLSELSA-N 0 0 519.483 8.041 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102681504 555005816 /nfs/dbraw/zinc/00/58/16/555005816.db2.gz NLQHAQPPHIWWCZ-XLJNKUFUSA-N 0 0 514.666 7.685 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000102681956 555006256 /nfs/dbraw/zinc/00/62/56/555006256.db2.gz FTQVTBMLOAFGBN-MCGPVJOFSA-N 0 0 526.772 6.047 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102690305 555008042 /nfs/dbraw/zinc/00/80/42/555008042.db2.gz AYWAYEIYJLTOOK-NXLSWJSLSA-N 0 0 518.566 5.641 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102691252 555008330 /nfs/dbraw/zinc/00/83/30/555008330.db2.gz HHAKNLLNHXEEFC-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102691456 555008595 /nfs/dbraw/zinc/00/85/95/555008595.db2.gz JZCWFGBQCFVYJA-AYWGPLOBSA-N 0 0 515.547 5.456 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102694157 555009466 /nfs/dbraw/zinc/00/94/66/555009466.db2.gz PSFRAJHLGKHSDS-AYWGPLOBSA-N 0 0 504.633 6.335 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697432 555011848 /nfs/dbraw/zinc/01/18/48/555011848.db2.gz XJKDCOCGKJGOAO-IUKMQXEJSA-N 0 0 516.594 6.413 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102697936 555012223 /nfs/dbraw/zinc/01/22/23/555012223.db2.gz OLEMSOHTXRNPLD-ONQGDUAMSA-N 0 0 501.579 5.041 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102704550 555013988 /nfs/dbraw/zinc/01/39/88/555013988.db2.gz TWSHKLDIFUBZGK-IUKMQXEJSA-N 0 0 512.631 6.537 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102706160 555014596 /nfs/dbraw/zinc/01/45/96/555014596.db2.gz PAYNYEPXUNPBGQ-NPJIAGGLSA-N 0 0 514.622 6.922 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102706197 555014815 /nfs/dbraw/zinc/01/48/15/555014815.db2.gz YPHYMDHHABCKSA-WGGXKBPPSA-N 0 0 520.585 5.600 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102706464 555015043 /nfs/dbraw/zinc/01/50/43/555015043.db2.gz AFQHFMXQWASFCF-COUQNMRISA-N 0 0 515.547 5.456 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102706492 555015120 /nfs/dbraw/zinc/01/51/20/555015120.db2.gz HITNVHVKZUHGPX-NPJIAGGLSA-N 0 0 514.603 5.947 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102707358 555015341 /nfs/dbraw/zinc/01/53/41/555015341.db2.gz HNRTZZDQBWGGKR-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102709894 555016056 /nfs/dbraw/zinc/01/60/56/555016056.db2.gz AMAYZDHTHMIRNY-SBXHHDGASA-N 0 0 514.603 5.811 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102713197 555017624 /nfs/dbraw/zinc/01/76/24/555017624.db2.gz DGYUIARPRNASMM-DFXXOVSGSA-N 0 0 509.558 5.798 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102713542 555018046 /nfs/dbraw/zinc/01/80/46/555018046.db2.gz YUIORIQHGXRWFU-MIOXIQPJSA-N 0 0 548.595 5.378 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715014 555018329 /nfs/dbraw/zinc/01/83/29/555018329.db2.gz MISBRRRXGJIDEY-ONQGDUAMSA-N 0 0 510.546 6.190 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102716533 555018948 /nfs/dbraw/zinc/01/89/48/555018948.db2.gz FUPCCEPYHLPQNJ-CZNAVJSXSA-N 0 0 528.630 6.282 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102718627 555019309 /nfs/dbraw/zinc/01/93/09/555019309.db2.gz LOFQVGXSSWZMRR-NPJIAGGLSA-N 0 0 501.539 5.099 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)cc(OC)c2)c1)c1ccccc1 ZINC000102725523 555021268 /nfs/dbraw/zinc/02/12/68/555021268.db2.gz LOQKCRZNSWWXAN-SQHAQQRYSA-N 0 0 604.707 5.574 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102727871 555022500 /nfs/dbraw/zinc/02/25/00/555022500.db2.gz HVLJUGAMUUKFGM-AYWGPLOBSA-N 0 0 549.446 6.311 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728330 555022860 /nfs/dbraw/zinc/02/28/60/555022860.db2.gz XHGUNLFLGXNPOU-SBXHHDGASA-N 0 0 502.592 6.175 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102729339 555022981 /nfs/dbraw/zinc/02/29/81/555022981.db2.gz DRBWPFLLBIOTOK-SBXHHDGASA-N 0 0 500.576 5.502 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102729704 555023286 /nfs/dbraw/zinc/02/32/86/555023286.db2.gz VTSKNSAHRVDSIH-WGGXKBPPSA-N 0 0 523.585 6.188 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102730870 555023441 /nfs/dbraw/zinc/02/34/41/555023441.db2.gz TZEUAAWMQKMXIR-UUALVTFQSA-N 0 0 524.529 5.697 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102733887 555024713 /nfs/dbraw/zinc/02/47/13/555024713.db2.gz NREMKBLRZNBAMY-DFXXOVSGSA-N 0 0 525.557 5.503 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735310 555025257 /nfs/dbraw/zinc/02/52/57/555025257.db2.gz ZTBMMTANUTWTSS-DNNDWWBDSA-N 0 0 521.569 5.804 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735316 555025313 /nfs/dbraw/zinc/02/53/13/555025313.db2.gz ZTBMMTANUTWTSS-QBCYBHDASA-N 0 0 521.569 5.804 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735471 555025528 /nfs/dbraw/zinc/02/55/28/555025528.db2.gz KBNHGJJMAILFAX-NBXYUPGTSA-N 0 0 588.685 7.133 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735564 555025843 /nfs/dbraw/zinc/02/58/43/555025843.db2.gz MVXYYBMZRJUPNX-NXLSVDECSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735584 555025885 /nfs/dbraw/zinc/02/58/85/555025885.db2.gz CQJMZSADGFEQTO-FLJNSMSWSA-N 0 0 595.076 7.692 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102748155 555042068 /nfs/dbraw/zinc/04/20/68/555042068.db2.gz KNGMWQZKSYPDJC-SANMLTNESA-N 0 0 502.640 5.216 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770875 555058585 /nfs/dbraw/zinc/05/85/85/555058585.db2.gz CRLYBMABKQPXFA-HTUFKCTLSA-N 0 0 542.632 6.683 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102770996 555058987 /nfs/dbraw/zinc/05/89/87/555058987.db2.gz SDQVOKRJKRZQHH-RIIRCPHSSA-N 0 0 538.669 6.986 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771331 555060233 /nfs/dbraw/zinc/06/02/33/555060233.db2.gz ADPNXSATEHZAJK-RKQXULEVSA-N 0 0 531.033 6.516 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771407 555060452 /nfs/dbraw/zinc/06/04/52/555060452.db2.gz VMZQADAWYFPICE-CHDCXXRXSA-N 0 0 502.979 5.899 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000102771553 555060587 /nfs/dbraw/zinc/06/05/87/555060587.db2.gz WVGKVSNEQNZRAE-DRLVMTHSSA-N 0 0 502.617 5.924 50 30 KKEARN N#Cc1cccc(S(=O)(=O)N2CCN(C[C@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000102794904 555071273 /nfs/dbraw/zinc/07/12/73/555071273.db2.gz DTEWHCSTWQVEHD-SANMLTNESA-N 0 0 564.029 5.495 50 30 KKEARN CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1NC(C=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000102816697 555076156 /nfs/dbraw/zinc/07/61/56/555076156.db2.gz KFHXLYPZLWVIJP-OQKWZONESA-N 0 0 552.660 6.001 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSc3ccccn3)c(C#N)c2)ccc1NCSc1ccccn1 ZINC000102828818 555078281 /nfs/dbraw/zinc/07/82/81/555078281.db2.gz BEVAWCCGUGONKR-UHFFFAOYSA-N 0 0 522.659 5.703 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)[C@@H](C)CC ZINC000102832737 555079329 /nfs/dbraw/zinc/07/93/29/555079329.db2.gz FBGXHUPVILWQMG-NDEPHWFRSA-N 0 0 526.831 8.605 50 30 KKEARN COc1ccc([C@H](C2=C(NCc3ccc(Cl)cc3)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000102834959 555079762 /nfs/dbraw/zinc/07/97/62/555079762.db2.gz JAMZIJCVCWSBDD-HHHXNRCGSA-N 0 0 522.085 7.066 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102857595 555088859 /nfs/dbraw/zinc/08/88/59/555088859.db2.gz UXHMNCOZXHIUMS-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102859692 555090072 /nfs/dbraw/zinc/09/00/72/555090072.db2.gz VFGFNUSISZEZLM-DFXXOVSGSA-N 0 0 530.621 5.454 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cccc([C@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)c2)cc1 ZINC000102860519 555090624 /nfs/dbraw/zinc/09/06/24/555090624.db2.gz RJJFTNIJJFRDSA-AREMUKBSSA-N 0 0 525.626 6.541 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102861486 555091570 /nfs/dbraw/zinc/09/15/70/555091570.db2.gz VBTHNENAXOPBLC-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102862482 555092463 /nfs/dbraw/zinc/09/24/63/555092463.db2.gz VTZGAQBTJGENKO-QZDFLZESSA-N 0 0 555.671 6.108 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000102862753 555092541 /nfs/dbraw/zinc/09/25/41/555092541.db2.gz MIKFLPBWLWJMLE-RWTZSVALSA-N 0 0 582.656 7.383 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102862763 555092593 /nfs/dbraw/zinc/09/25/93/555092593.db2.gz DOYAWPOMTUOPHU-RWMNMRIUSA-N 0 0 541.644 6.210 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864133 555093887 /nfs/dbraw/zinc/09/38/87/555093887.db2.gz RYXFTQPWDLOPIF-IUKMQXEJSA-N 0 0 570.623 5.974 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102864841 555094458 /nfs/dbraw/zinc/09/44/58/555094458.db2.gz ZCBVSCCKDRHQHL-DFXXOVSGSA-N 0 0 525.557 5.503 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866135 555095395 /nfs/dbraw/zinc/09/53/95/555095395.db2.gz UZBHFRMYQROCAF-IKZPYDRGSA-N 0 0 556.640 6.043 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102866332 555095530 /nfs/dbraw/zinc/09/55/30/555095530.db2.gz DKEJIBOAHHVEID-VXJPNWOUSA-N 0 0 542.632 5.605 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866139 555095542 /nfs/dbraw/zinc/09/55/42/555095542.db2.gz UZBHFRMYQROCAF-OFNYXUPYSA-N 0 0 556.640 6.043 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102866929 555096446 /nfs/dbraw/zinc/09/64/46/555096446.db2.gz PXVDJVXZXHMJLO-VEZPTTSMSA-N 0 0 538.172 9.243 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000102867458 555096956 /nfs/dbraw/zinc/09/69/56/555096956.db2.gz FTKDMGJGQKYONK-MWCANZRFSA-N 0 0 574.655 5.533 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869019 555098238 /nfs/dbraw/zinc/09/82/38/555098238.db2.gz VUGMDOQBIHBHKQ-WKUSSTJHSA-N 0 0 570.667 6.434 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102869087 555098476 /nfs/dbraw/zinc/09/84/76/555098476.db2.gz XSNYUNULXNPZAW-QAXCHELISA-N 0 0 556.703 7.266 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102869097 555098566 /nfs/dbraw/zinc/09/85/66/555098566.db2.gz ATRNNJBBCKQESI-SBXHHDGASA-N 0 0 502.567 6.023 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869146 555098600 /nfs/dbraw/zinc/09/86/00/555098600.db2.gz PWOVAFUHCJHMPF-JFTLGNCFSA-N 0 0 514.578 5.948 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102869404 555098789 /nfs/dbraw/zinc/09/87/89/555098789.db2.gz AWBUWVVWWYFYNX-MIOXIQPJSA-N 0 0 527.617 5.691 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869371 555098866 /nfs/dbraw/zinc/09/88/66/555098866.db2.gz DIIWPGNAYVFXFS-VURVUJTCSA-N 0 0 554.668 6.652 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870040 555099830 /nfs/dbraw/zinc/09/98/30/555099830.db2.gz DINGZXPGZDTWAZ-QNIVJUIWSA-N 0 0 540.597 5.341 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102870169 555100052 /nfs/dbraw/zinc/10/00/52/555100052.db2.gz ZVVXJKIBEHNPGA-QMMFTLRZSA-N 0 0 550.611 5.695 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102870078 555100163 /nfs/dbraw/zinc/10/01/63/555100163.db2.gz VNCIUXHUBGITPF-DZTJFIFISA-N 0 0 531.605 5.803 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870182 555100401 /nfs/dbraw/zinc/10/04/01/555100401.db2.gz XVIZRDQQAZZLMS-ZRUWLVFBSA-N 0 0 618.711 7.224 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1 ZINC000102870998 555101412 /nfs/dbraw/zinc/10/14/12/555101412.db2.gz DBTCJPGIXWHYCO-BCCVMWATSA-N 0 0 558.388 5.291 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871294 555101924 /nfs/dbraw/zinc/10/19/24/555101924.db2.gz XJOPMKQSRQCJPX-YMMFOPJESA-N 0 0 562.644 5.367 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000102872881 555103469 /nfs/dbraw/zinc/10/34/69/555103469.db2.gz POBAXTNDJDPFMN-NPJIAGGLSA-N 0 0 525.432 6.498 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102873194 555103755 /nfs/dbraw/zinc/10/37/55/555103755.db2.gz UWAYDYSDEJVZPD-IUKMQXEJSA-N 0 0 514.603 6.028 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102874107 555104400 /nfs/dbraw/zinc/10/44/00/555104400.db2.gz URCKTZCIDIERHJ-IUKMQXEJSA-N 0 0 530.621 6.758 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000102874234 555104407 /nfs/dbraw/zinc/10/44/07/555104407.db2.gz DSRBHABXIJZPBF-QKJBWNOYSA-N 0 0 514.603 5.947 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102874631 555104869 /nfs/dbraw/zinc/10/48/69/555104869.db2.gz MMZGIJOLZNTJPU-UVDRRRQGSA-N 0 0 512.587 5.634 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102876611 555106179 /nfs/dbraw/zinc/10/61/79/555106179.db2.gz RYSXHNVNTLHAAF-VEZPTTSMSA-N 0 0 617.068 10.006 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102877189 555106681 /nfs/dbraw/zinc/10/66/81/555106681.db2.gz ZMZPCMZZBYMBPS-SBXHHDGASA-N 0 0 508.018 5.355 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102879170 555108407 /nfs/dbraw/zinc/10/84/07/555108407.db2.gz AMWADMNUOYWRIP-SZYGQJGOSA-N 0 0 584.713 6.110 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102879783 555108700 /nfs/dbraw/zinc/10/87/00/555108700.db2.gz CZKUZGGVMLGKIA-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102881329 555110219 /nfs/dbraw/zinc/11/02/19/555110219.db2.gz ILCGQMRQMYEZQJ-WSIKSEJKSA-N 0 0 612.723 5.132 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882540 555110745 /nfs/dbraw/zinc/11/07/45/555110745.db2.gz QNCYMUULJLIJQO-COUQNMRISA-N 0 0 534.590 5.467 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102883269 555111605 /nfs/dbraw/zinc/11/16/05/555111605.db2.gz CUURSCQXYYXXSP-IAMBOQNYSA-N 0 0 506.605 5.618 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102883448 555111655 /nfs/dbraw/zinc/11/16/55/555111655.db2.gz XWTANMFYQCSUMF-NPJIAGGLSA-N 0 0 535.438 5.953 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883553 555111912 /nfs/dbraw/zinc/11/19/12/555111912.db2.gz NELUYDHZVSZAKH-WKUSSTJHSA-N 0 0 604.725 6.572 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883556 555112047 /nfs/dbraw/zinc/11/20/47/555112047.db2.gz NELUYDHZVSZAKH-XKNZNLGKSA-N 0 0 604.725 6.572 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883489 555112066 /nfs/dbraw/zinc/11/20/66/555112066.db2.gz SHHLDHWGMTTXOK-VBFYJPTMSA-N 0 0 542.613 5.577 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883835 555112241 /nfs/dbraw/zinc/11/22/41/555112241.db2.gz NTUXJUUDVICZJN-CGKJMNDRSA-N 0 0 530.577 5.784 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883821 555112277 /nfs/dbraw/zinc/11/22/77/555112277.db2.gz GKKKHLFDZCVXIK-WATAJRNESA-N 0 0 612.748 7.296 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102884275 555113142 /nfs/dbraw/zinc/11/31/42/555113142.db2.gz REBYOHZSLMBCGE-CFQDGGCTSA-N 0 0 560.823 8.964 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884660 555113732 /nfs/dbraw/zinc/11/37/32/555113732.db2.gz SBUCTQDPQWJYEJ-LOTNQUKISA-N 0 0 604.684 6.834 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885410 555115505 /nfs/dbraw/zinc/11/55/05/555115505.db2.gz IAHZHVVUXNSECS-JFTLGNCFSA-N 0 0 531.033 6.462 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102885554 555115748 /nfs/dbraw/zinc/11/57/48/555115748.db2.gz NSYMHDCOSXHFKB-YFVVEFNMSA-N 0 0 513.590 5.047 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886339 555116942 /nfs/dbraw/zinc/11/69/42/555116942.db2.gz LVUDUIBMLLOXQG-RFAFYKRUSA-N 0 0 570.623 5.431 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886354 555116999 /nfs/dbraw/zinc/11/69/99/555116999.db2.gz PZDCWPVYYXHEBH-JFTLGNCFSA-N 0 0 528.586 5.263 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886352 555117014 /nfs/dbraw/zinc/11/70/14/555117014.db2.gz PZDCWPVYYXHEBH-HAQIDCBSSA-N 0 0 528.586 5.263 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887243 555118562 /nfs/dbraw/zinc/11/85/62/555118562.db2.gz AHBQYMOHVRJNBR-TXTDGAROSA-N 0 0 586.666 6.127 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887246 555118650 /nfs/dbraw/zinc/11/86/50/555118650.db2.gz RTHQXQUYQWGYDB-AQUGINBJSA-N 0 0 598.721 7.050 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887369 555119324 /nfs/dbraw/zinc/11/93/24/555119324.db2.gz WMOCAAURMBUKMR-XXASTYAFSA-N 0 0 542.657 6.645 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887507 555119620 /nfs/dbraw/zinc/11/96/20/555119620.db2.gz VUNABNJTMVLUIN-OFNYXUPYSA-N 0 0 540.641 6.207 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887686 555119850 /nfs/dbraw/zinc/11/98/50/555119850.db2.gz LSAJQMLXYKRABR-NYFCFKJUSA-N 0 0 619.139 7.477 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102887796 555120146 /nfs/dbraw/zinc/12/01/46/555120146.db2.gz NBDGZFWZCKJWQA-ONQGDUAMSA-N 0 0 582.678 6.450 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887747 555120238 /nfs/dbraw/zinc/12/02/38/555120238.db2.gz BOLUSANVDUIYRP-WYNCGZBVSA-N 0 0 632.735 6.322 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888811 555122424 /nfs/dbraw/zinc/12/24/24/555122424.db2.gz FQSRWDGIOJOJIR-NNZNMFTDSA-N 0 0 612.748 7.378 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102889751 555124178 /nfs/dbraw/zinc/12/41/78/555124178.db2.gz DDENSBPNMAWEEO-NXLSWJSLSA-N 0 0 548.661 6.050 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889755 555124200 /nfs/dbraw/zinc/12/42/00/555124200.db2.gz KAFUPGWNMLNMOQ-JFTLGNCFSA-N 0 0 547.032 6.298 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102889819 555124363 /nfs/dbraw/zinc/12/43/63/555124363.db2.gz PHRDDWPSSRJDNT-FSISNWKMSA-N 0 0 516.550 5.394 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889976 555124732 /nfs/dbraw/zinc/12/47/32/555124732.db2.gz DTYQITUPGDXSBY-UJWLLDLUSA-N 0 0 576.671 5.791 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889981 555124745 /nfs/dbraw/zinc/12/47/45/555124745.db2.gz DTYQITUPGDXSBY-HTUFKCTLSA-N 0 0 576.671 5.791 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889941 555124775 /nfs/dbraw/zinc/12/47/75/555124775.db2.gz UWCZCKDWXQRFAB-WOOVEIMUSA-N 0 0 568.695 7.042 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890073 555124845 /nfs/dbraw/zinc/12/48/45/555124845.db2.gz UPPQUOIYUXXAIC-WNQPQFFOSA-N 0 0 606.697 5.765 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889979 555124848 /nfs/dbraw/zinc/12/48/48/555124848.db2.gz DTYQITUPGDXSBY-RFAFYKRUSA-N 0 0 576.671 5.791 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890464 555125632 /nfs/dbraw/zinc/12/56/32/555125632.db2.gz UKKOBJPOODBOAY-YZUJGMDRSA-N 0 0 633.166 7.867 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890728 555126230 /nfs/dbraw/zinc/12/62/30/555126230.db2.gz MOMHOPISKAQHTD-CIKQMSCWSA-N 0 0 562.644 5.367 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890861 555126454 /nfs/dbraw/zinc/12/64/54/555126454.db2.gz DHPUYVJMFVPNBB-SSELITHESA-N 0 0 572.639 5.580 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102891861 555127748 /nfs/dbraw/zinc/12/77/48/555127748.db2.gz UYNJVDRGGPUPDQ-UUALVTFQSA-N 0 0 524.642 6.780 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893081 555129816 /nfs/dbraw/zinc/12/98/16/555129816.db2.gz BWVTXOGCSXPRPL-JDSQIOQSSA-N 0 0 586.666 6.052 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102893063 555129835 /nfs/dbraw/zinc/12/98/35/555129835.db2.gz IJXNKLGHKDBHDM-SZYGQJGOSA-N 0 0 563.779 8.607 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893116 555129873 /nfs/dbraw/zinc/12/98/73/555129873.db2.gz WNAFSJGAXLMZIV-PLWHFILJSA-N 0 0 590.698 6.147 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102893569 555131090 /nfs/dbraw/zinc/13/10/90/555131090.db2.gz AKMWKOGKGLHIMO-AIKCTZLLSA-N 0 0 550.405 5.109 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102894257 555132210 /nfs/dbraw/zinc/13/22/10/555132210.db2.gz JREQFQJRWVZUGC-UUALVTFQSA-N 0 0 570.667 6.390 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895051 555133534 /nfs/dbraw/zinc/13/35/34/555133534.db2.gz CQPSKRMPVMJZKL-BGLRTBKGSA-N 0 0 572.639 5.662 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102895017 555133551 /nfs/dbraw/zinc/13/35/51/555133551.db2.gz JOCZGKAXWYVWDI-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN CCCCCCCCN1C(=O)N(c2cccc3ccccc32)[C@@H](N(O)C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000102895188 555133720 /nfs/dbraw/zinc/13/37/20/555133720.db2.gz ULVFHSZJTVNNJB-HKBQPEDESA-N 0 0 552.719 8.624 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102896339 555136293 /nfs/dbraw/zinc/13/62/93/555136293.db2.gz BZQKCDGEJVZXGW-TXTDGAROSA-N 0 0 610.732 7.049 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896372 555136302 /nfs/dbraw/zinc/13/63/02/555136302.db2.gz GDMNMSWSHAUXTE-IKZPYDRGSA-N 0 0 556.640 6.043 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102896633 555136601 /nfs/dbraw/zinc/13/66/01/555136601.db2.gz PHRJUSZWGCCWID-AFSDHNFUSA-N 0 0 604.684 6.890 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102897259 555137616 /nfs/dbraw/zinc/13/76/16/555137616.db2.gz ZWPKKDBONUXRLE-KFLIVHAJSA-N 0 0 581.241 9.309 50 30 KKEARN N#Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000102926339 555150691 /nfs/dbraw/zinc/15/06/91/555150691.db2.gz AGQCYNXCMIBQQH-SMSORMJASA-N 0 0 519.601 7.623 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102927557 555152247 /nfs/dbraw/zinc/15/22/47/555152247.db2.gz HNTHMYASZPOISF-QZDFLZESSA-N 0 0 555.671 6.252 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102928018 555152818 /nfs/dbraw/zinc/15/28/18/555152818.db2.gz FSJOFDCBJXYWGG-GSYBUTJLSA-N 0 0 556.659 5.995 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102928001 555152918 /nfs/dbraw/zinc/15/29/18/555152918.db2.gz VSIZTZYZJJHZEO-MIOXIQPJSA-N 0 0 548.595 5.378 50 30 KKEARN Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102930913 555158017 /nfs/dbraw/zinc/15/80/17/555158017.db2.gz CTDDHRITAUXCGU-DEOSSOPVSA-N 0 0 529.006 7.120 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)c(C)c1 ZINC000102932718 555160278 /nfs/dbraw/zinc/16/02/78/555160278.db2.gz NQRAPIHWJVSSEH-DFXXOVSGSA-N 0 0 530.621 5.598 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933159 555160479 /nfs/dbraw/zinc/16/04/79/555160479.db2.gz SMAFXPKKSRBMKY-NPJIAGGLSA-N 0 0 530.602 5.647 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102936904 555164753 /nfs/dbraw/zinc/16/47/53/555164753.db2.gz RBBLZOZBOLBQLU-RQZHXJHFSA-N 0 0 560.971 7.357 50 30 KKEARN O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102938463 555166931 /nfs/dbraw/zinc/16/69/31/555166931.db2.gz PMTLBUJULNQIIL-QHCPKHFHSA-N 0 0 618.527 5.723 50 30 KKEARN Cc1c(Sc2ccc(F)cc2)c2ccccn2c1/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 ZINC000102941545 555170061 /nfs/dbraw/zinc/17/00/61/555170061.db2.gz UWUWSVHBIJBQQR-ZZIIXHQDSA-N 0 0 506.649 6.826 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\[P@@](=NS(=O)(=O)c1ccc(Cl)cc1)(Oc1ccc(C#N)cc1)c1ccccc1 ZINC000102945511 555171647 /nfs/dbraw/zinc/17/16/47/555171647.db2.gz NQXOYDOZTNHHOQ-IQULMSAISA-N 0 0 588.069 7.690 50 30 KKEARN CCOP(=O)(OCC)C(C)(C)/N=C1\S[C@@](c2ccc(Cl)cc2)(C(F)(F)F)NC(=O)N1c1ccccc1 ZINC000102947417 555171929 /nfs/dbraw/zinc/17/19/29/555171929.db2.gz DSNSFJGLIDLNIP-CLVVTTMOSA-N 0 0 563.966 7.376 50 30 KKEARN Cc1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)cc1C ZINC000102973774 555183508 /nfs/dbraw/zinc/18/35/08/555183508.db2.gz ZBBMQNBIKFNBNS-LYULNAIRSA-N 0 0 552.055 5.571 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)CCC)CC1 ZINC000102991952 555192695 /nfs/dbraw/zinc/19/26/95/555192695.db2.gz BOAFLYDIPXXRQG-UHFFFAOYSA-N 0 0 535.795 5.065 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000102991982 555192961 /nfs/dbraw/zinc/19/29/61/555192961.db2.gz HOAPKTPZSOUFEB-UHFFFAOYSA-N 0 0 622.247 6.506 50 30 KKEARN CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000102993689 555193651 /nfs/dbraw/zinc/19/36/51/555193651.db2.gz QCNSPDJXBZFUHE-ZLNRFVROSA-N 0 0 521.249 5.610 50 30 KKEARN CCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000102995643 555195220 /nfs/dbraw/zinc/19/52/20/555195220.db2.gz JSSYNNYNIVYGLF-UHFFFAOYSA-N 0 0 511.707 5.028 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)[C@H](C)CC ZINC000102997438 555196690 /nfs/dbraw/zinc/19/66/90/555196690.db2.gz DHOMEPHWMMOQCK-RUZDIDTESA-N 0 0 558.829 7.413 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000102997672 555197010 /nfs/dbraw/zinc/19/70/10/555197010.db2.gz LLRKVNBMVXAZKN-AREMUKBSSA-N 0 0 516.723 6.564 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C1CCCCC1 ZINC000102997574 555197012 /nfs/dbraw/zinc/19/70/12/555197012.db2.gz GMAZWUIYEQBMLV-UHFFFAOYSA-N 0 0 514.751 7.718 50 30 KKEARN CCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000102997657 555197024 /nfs/dbraw/zinc/19/70/24/555197024.db2.gz CDYSYHGMTXFXMD-UHFFFAOYSA-N 0 0 585.786 5.170 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)CC(C)C ZINC000102997716 555197119 /nfs/dbraw/zinc/19/71/19/555197119.db2.gz QKJHKWHYLNSZKG-LJAQVGFWSA-N 0 0 500.724 6.987 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC[C@H]2CCCO2)c1 ZINC000102998381 555197634 /nfs/dbraw/zinc/19/76/34/555197634.db2.gz WMQSGZXGQRNMQZ-HHHXNRCGSA-N 0 0 564.771 6.010 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000102999007 555198445 /nfs/dbraw/zinc/19/84/45/555198445.db2.gz DCOPXFMEAIYIOV-MGBGTMOVSA-N 0 0 580.691 9.460 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)C ZINC000102999468 555199076 /nfs/dbraw/zinc/19/90/76/555199076.db2.gz KVDDCSISSUSWLZ-UHFFFAOYSA-N 0 0 542.761 7.026 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000103000131 555199955 /nfs/dbraw/zinc/19/99/55/555199955.db2.gz ISHHEJYECXFMKV-UHFFFAOYSA-N 0 0 519.774 7.806 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000103000110 555199970 /nfs/dbraw/zinc/19/99/70/555199970.db2.gz ZTKGSWXKEARIDU-HNNXBMFYSA-N 0 0 602.323 6.866 50 30 KKEARN CCCCCCCCCCCCCC(=O)NCc1nnc(SCc2cccc(OC)c2)n1-c1cc(Cl)ccc1C ZINC000103000855 555200724 /nfs/dbraw/zinc/20/07/24/555200724.db2.gz UAEGYIIPUCZWEF-UHFFFAOYSA-N 0 0 585.258 8.847 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 ZINC000103000905 555200763 /nfs/dbraw/zinc/20/07/63/555200763.db2.gz KIVXMWGXSDRKBP-MUUNZHRXSA-N 0 0 513.723 7.250 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1 ZINC000103000896 555200789 /nfs/dbraw/zinc/20/07/89/555200789.db2.gz NSVAGRVCHOUNIU-UHFFFAOYSA-N 0 0 507.744 9.202 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(Cl)cc1 ZINC000103005019 555203269 /nfs/dbraw/zinc/20/32/69/555203269.db2.gz AQAVLAMQPXSDSJ-UHFFFAOYSA-N 0 0 501.096 7.089 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008330 555204999 /nfs/dbraw/zinc/20/49/99/555204999.db2.gz WZKRXXLLIGYYBV-BIYCFNCWSA-N 0 0 601.099 5.876 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008474 555205235 /nfs/dbraw/zinc/20/52/35/555205235.db2.gz ONAYFLBFDMXOEG-GDKKVTFASA-N 0 0 572.608 5.492 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000103010557 555205994 /nfs/dbraw/zinc/20/59/94/555205994.db2.gz SIRRCHJVJOBQIB-ZDJNHPEVSA-N 0 0 572.608 5.492 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011143 555206223 /nfs/dbraw/zinc/20/62/23/555206223.db2.gz OVSDUIFOXDCQMD-UKDVSSAZSA-N 0 0 537.678 5.641 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2OC)ccc1Cl ZINC000103014019 555208139 /nfs/dbraw/zinc/20/81/39/555208139.db2.gz BSJIWHGOBUTMPT-UHFFFAOYSA-N 0 0 569.001 5.558 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103014879 555208531 /nfs/dbraw/zinc/20/85/31/555208531.db2.gz XQSQYAFSDNMTTM-FTBPSBKWSA-N 0 0 577.102 5.929 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000103014914 555208624 /nfs/dbraw/zinc/20/86/24/555208624.db2.gz HKTMCKJJLZKGFK-QTLGCAHFSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103015322 555208665 /nfs/dbraw/zinc/20/86/65/555208665.db2.gz JZHBJZKDLVMSEK-NQHRYMMQSA-N 0 0 587.654 5.184 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103014930 555208717 /nfs/dbraw/zinc/20/87/17/555208717.db2.gz GPVHZZXSRMWFEX-QTLGCAHFSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103015073 555208734 /nfs/dbraw/zinc/20/87/34/555208734.db2.gz KEELLPFJOYQDOD-NQHRYMMQSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000103014924 555208742 /nfs/dbraw/zinc/20/87/42/555208742.db2.gz HKTMCKJJLZKGFK-UKDVSSAZSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000103015377 555208925 /nfs/dbraw/zinc/20/89/25/555208925.db2.gz SFLNEOCAIDEMIH-QTLGCAHFSA-N 0 0 592.117 5.632 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103016619 555209649 /nfs/dbraw/zinc/20/96/49/555209649.db2.gz WLPDTSDGFIQIHW-GKBBYZSKSA-N 0 0 619.671 5.631 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@H]2c2ccccc2OC)cc1 ZINC000103016946 555209846 /nfs/dbraw/zinc/20/98/46/555209846.db2.gz CPQUEMBALXCGFL-YTTGMZPUSA-N 0 0 526.677 7.322 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022028 555213310 /nfs/dbraw/zinc/21/33/10/555213310.db2.gz QGAAAXAWSQVQFT-DVHCVUMVSA-N 0 0 533.577 5.326 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103022987 555213809 /nfs/dbraw/zinc/21/38/09/555213809.db2.gz WQXHJCZDMFEWOQ-XJGOYTCSSA-N 0 0 550.076 6.429 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000103022971 555213843 /nfs/dbraw/zinc/21/38/43/555213843.db2.gz VQAYHCKYFDZTCL-UDCNLSRBSA-N 0 0 554.495 7.074 50 30 KKEARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C(=O)NC2CCCCC2)CC1 ZINC000103024083 555214566 /nfs/dbraw/zinc/21/45/66/555214566.db2.gz ZIVDYXSQZUMSPG-UHFFFAOYSA-N 0 0 552.679 5.600 50 30 KKEARN N#CCc1ccc(NC(=O)N2CCN(C[C@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103030210 555218667 /nfs/dbraw/zinc/21/86/67/555218667.db2.gz DUVBNXCSKKQGFS-MHZLTWQESA-N 0 0 557.016 6.532 50 30 KKEARN CCCCCOP(=O)(OCCCCC)[C@@]1(NS(=O)(=O)c2ccc(C)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000103044156 555227288 /nfs/dbraw/zinc/22/72/88/555227288.db2.gz BDOBCUNXVYFQLT-MHZLTWQESA-N 0 0 568.072 7.052 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000103049223 555231254 /nfs/dbraw/zinc/23/12/54/555231254.db2.gz OUPZXPLSTQLRRK-UHFFFAOYSA-N 0 0 632.204 5.855 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)n2Cc1cccc(F)c1 ZINC000103070298 555251138 /nfs/dbraw/zinc/25/11/38/555251138.db2.gz SUOAOUMYDHVTRY-UHFFFAOYSA-N 0 0 560.466 7.268 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(F)cc1C(F)(F)F)[C@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000103074275 555254136 /nfs/dbraw/zinc/25/41/36/555254136.db2.gz GDFWYGBKSYEDSG-NDEPHWFRSA-N 0 0 602.506 8.401 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])ccc1Cl ZINC000103078240 555256875 /nfs/dbraw/zinc/25/68/75/555256875.db2.gz SCUXVXJLIVHWFP-UHFFFAOYSA-N 0 0 592.457 5.695 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1Cl ZINC000103078316 555256949 /nfs/dbraw/zinc/25/69/49/555256949.db2.gz KDALBZCVNPIPCW-KRWDZBQOSA-N 0 0 590.485 5.517 50 30 KKEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000103078452 555257248 /nfs/dbraw/zinc/25/72/48/555257248.db2.gz KFJCILNOCXSOHW-UHFFFAOYSA-N 0 0 553.537 5.443 50 30 KKEARN CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000103079880 555258638 /nfs/dbraw/zinc/25/86/38/555258638.db2.gz KGBSUZGLPYSMIU-QQTULTPQSA-N 0 0 635.717 6.640 50 30 KKEARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000103080422 555259208 /nfs/dbraw/zinc/25/92/08/555259208.db2.gz JAIUKKQATQRMJE-UHFFFAOYSA-N 0 0 565.670 5.914 50 30 KKEARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(SC(F)F)cc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000103086871 555265582 /nfs/dbraw/zinc/26/55/82/555265582.db2.gz JJVHLUNGCOSPPD-UHFFFAOYSA-N 0 0 559.492 6.070 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(Cl)c1)=C1Nc2ccccc2N1 ZINC000103087126 555265911 /nfs/dbraw/zinc/26/59/11/555265911.db2.gz LYSCURHQDDPMPS-UHFFFAOYSA-N 0 0 566.470 6.133 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000103098763 555275918 /nfs/dbraw/zinc/27/59/18/555275918.db2.gz IYIHFUFPCSAJRZ-SANMLTNESA-N 0 0 543.988 6.808 50 30 KKEARN CCCCCCCCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000103103333 555280970 /nfs/dbraw/zinc/28/09/70/555280970.db2.gz LDYRJCZIGKHPEI-HSZRJFAPSA-N 0 0 558.813 8.585 50 30 KKEARN CCOCCCn1c2ccc(C(=O)OCC)cc2nc1SCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000103105092 555282288 /nfs/dbraw/zinc/28/22/88/555282288.db2.gz FBGFRCVAAAIHIU-UHFFFAOYSA-N 0 0 538.485 6.507 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103113352 555286326 /nfs/dbraw/zinc/28/63/26/555286326.db2.gz LXPYFUZVOIJXIA-GDLZYMKVSA-N 0 0 585.173 6.742 50 30 KKEARN CCCCCCCC(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000103114747 555287345 /nfs/dbraw/zinc/28/73/45/555287345.db2.gz TWCLYMGTHZHVJU-UHFFFAOYSA-N 0 0 506.565 6.103 50 30 KKEARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103126992 555295086 /nfs/dbraw/zinc/29/50/86/555295086.db2.gz AKWFEFUBKPBQBH-ZDUSSCGKSA-N 0 0 566.499 5.972 50 30 KKEARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3SCC(=O)Nc3cccc(C#N)c3)n(-c3ccccc3)n2)cc1 ZINC000103128345 555296497 /nfs/dbraw/zinc/29/64/97/555296497.db2.gz OFQJAVGOWLJHNI-UHFFFAOYSA-N 0 0 601.688 6.246 50 30 KKEARN Cc1cc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000103129199 555297703 /nfs/dbraw/zinc/29/77/03/555297703.db2.gz VBAPOYARIXNCPY-HKBQPEDESA-N 0 0 551.675 7.291 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000103138664 555308637 /nfs/dbraw/zinc/30/86/37/555308637.db2.gz YVQJJVMNPIIRLP-HSZRJFAPSA-N 0 0 561.881 7.322 50 30 KKEARN CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(C(=O)OCC)cc3)S2)cc1 ZINC000103140501 555309943 /nfs/dbraw/zinc/30/99/43/555309943.db2.gz LBERJZYQBWTTRK-ZAWDNWJJSA-N 0 0 594.133 6.856 50 30 KKEARN Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)c(Cl)c4)[n-]c3C(C)C)C(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000103142052 555311559 /nfs/dbraw/zinc/31/15/59/555311559.db2.gz ULWRBXGHPDHXRQ-UHFFFAOYSA-O 0 0 566.440 5.680 50 30 KKEARN O=C(CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1 ZINC000103143028 555311780 /nfs/dbraw/zinc/31/17/80/555311780.db2.gz NIKBKRBGZKCVJY-UHFFFAOYSA-N 0 0 605.554 7.221 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(C)C ZINC000103148376 555315116 /nfs/dbraw/zinc/31/51/16/555315116.db2.gz NVLYXEZVCBYHPY-UHFFFAOYSA-N 0 0 544.821 8.663 50 30 KKEARN O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103165971 555322676 /nfs/dbraw/zinc/32/26/76/555322676.db2.gz WVUAZNJFDWVENO-UHFFFAOYSA-N 0 0 517.351 7.310 50 30 KKEARN Cc1ccc(-n2c(SCc3ccccc3)nnc2[C@H](Cc2ccccc2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103197409 555335484 /nfs/dbraw/zinc/33/54/84/555335484.db2.gz AIRDMINRVVSDJT-LJAQVGFWSA-N 0 0 544.684 6.845 50 30 KKEARN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCc3ccccn3)c3cccc(C#N)c3Cl)c3ccccc32)cc1 ZINC000103429028 555412058 /nfs/dbraw/zinc/41/20/58/555412058.db2.gz MLORLEWUUQBLKF-LJAQVGFWSA-N 0 0 533.075 6.799 50 30 KKEARN Clc1cc2c(cc1OCCN1CCOCC1)C(=NNc1ccccc1)c1cc(OCCN3CCOCC3)c(Cl)cc1-2 ZINC000103541793 555438683 /nfs/dbraw/zinc/43/86/83/555438683.db2.gz RERLHHRWYOEJNY-UHFFFAOYSA-N 0 0 597.543 5.260 50 30 KKEARN FC(F)(F)c1cccc([C@H]2CC(c3ccc(OC(F)(F)C(F)(F)C(F)(F)F)cc3)=Nc3nc4ccccc4n32)c1 ZINC000103545898 555440640 /nfs/dbraw/zinc/44/06/40/555440640.db2.gz MTSCFBQXVVOOGP-OAQYLSRUSA-N 0 0 575.406 8.259 50 30 KKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)CO/C=C/COCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000103547010 555441380 /nfs/dbraw/zinc/44/13/80/555441380.db2.gz KHIFTCBRODJGFQ-OWOJBTEDSA-N 0 0 502.189 5.875 50 30 KKEARN O=C1C(Nc2ccc(Cl)cc2)=C(n2nnc3ccccc32)C(=O)C(Nc2ccc(Cl)cc2)=C1n1nnc2ccccc21 ZINC000103559225 555447488 /nfs/dbraw/zinc/44/74/88/555447488.db2.gz CEIMNUVPCFQYQR-UHFFFAOYSA-N 0 0 593.434 5.896 50 30 KKEARN CC(C)(C)c1cccc(/C=N/[C@H](c2ccccc2)[C@H](/N=C\c2cccc(C(C)(C)C)c2O)c2ccccc2)c1O ZINC000103658742 555461375 /nfs/dbraw/zinc/46/13/75/555461375.db2.gz XYIWAQOJYYYSJA-UNEINDRHSA-N 0 0 532.728 8.713 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000103707039 555464330 /nfs/dbraw/zinc/46/43/30/555464330.db2.gz JVDZNODAHVMMDW-YZSQISJMSA-N 0 0 624.130 7.226 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000103707050 555464352 /nfs/dbraw/zinc/46/43/52/555464352.db2.gz NEVBZRTURWPVFX-OVVQPSECSA-N 0 0 606.140 7.087 50 30 KKEARN CCOc1cc(/C=C2\C(=O)N(CCC#N)N=C2c2ccccc2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000103706379 555464399 /nfs/dbraw/zinc/46/43/99/555464399.db2.gz YJQMMVPCCDGAQL-ULJHMMPZSA-N 0 0 573.447 5.409 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(C(=O)c3ccc(Cl)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000103710746 555464579 /nfs/dbraw/zinc/46/45/79/555464579.db2.gz TVXAEPPLAYCVOW-NQMJWELOSA-N 0 0 585.085 7.074 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000103723729 555465279 /nfs/dbraw/zinc/46/52/79/555465279.db2.gz ZNGARSZGYLNLCV-OVVQPSECSA-N 0 0 526.614 5.990 50 30 KKEARN COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2C1=O ZINC000103746339 555466762 /nfs/dbraw/zinc/46/67/62/555466762.db2.gz HVFGWWKKGHKQLH-BGABXYSRSA-N 0 0 502.592 5.141 50 30 KKEARN C=C(C)[C@H]1CC[C@@]2(COC(=O)/C=C/c3ccccc3)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253502583 560037899 /nfs/dbraw/zinc/03/78/99/560037899.db2.gz LXCNPSDULNZQOW-OPORZINQSA-N 0 0 572.874 9.262 50 30 biogenic,in-vitro KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000239119540 560040683 /nfs/dbraw/zinc/04/06/83/560040683.db2.gz IUOPGSNWOXYEAG-FZBPCLLLSA-N 0 0 540.056 6.069 50 30 biogenic,in-vitro KKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771431 562678139 /nfs/dbraw/zinc/67/81/39/562678139.db2.gz CFNFGRKFQUSWDO-FUPONGDBSA-N 0 0 536.801 7.886 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771435 562678149 /nfs/dbraw/zinc/67/81/49/562678149.db2.gz GFHRDOULHCBZBZ-KZDAZGORSA-N 0 0 502.743 7.526 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(OC(=O)n6ccnc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771619 562678263 /nfs/dbraw/zinc/67/82/63/562678263.db2.gz PPRIFJOXXRPPLO-AGQYDGPNSA-N 0 0 612.815 7.735 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058468797 562697981 /nfs/dbraw/zinc/69/79/81/562697981.db2.gz AWISEXXGVHMSEU-COEVCNOISA-N 0 0 658.928 9.392 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000103848609 571363842 /nfs/dbraw/zinc/36/38/42/571363842.db2.gz QDWGTPJPADWNIG-LPYMAVHISA-N 0 0 541.456 6.262 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)C1=O ZINC000103848682 571363960 /nfs/dbraw/zinc/36/39/60/571363960.db2.gz LVEKUIQVKRLGHQ-ZTKZIYFRSA-N 0 0 579.674 6.679 50 30 KKEARN COc1cc(Cc2ccc(NC=CC(=O)c3ccc4c(c3)OCO4)c(OC)c2)ccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000103870561 571368214 /nfs/dbraw/zinc/36/82/14/571368214.db2.gz MQIBVBIUPZZVTK-HEEUSZRZSA-N 0 0 606.631 6.369 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1/S/C(=C2\Sc3ccccc3N2C)C(=O)N1CCCC ZINC000103879786 571368514 /nfs/dbraw/zinc/36/85/14/571368514.db2.gz VNAINFBKCSMRDE-DLADMRFFSA-N 0 0 571.941 10.391 50 30 KKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/CCCCCCCCCCCCCCCCCC ZINC000103884409 571368625 /nfs/dbraw/zinc/36/86/25/571368625.db2.gz NUMZKRGEDBVNMF-FFHBNZAXSA-N 0 0 585.924 9.785 50 30 KKEARN Cn1c2ccccc2s/c1=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000103888415 571368693 /nfs/dbraw/zinc/36/86/93/571368693.db2.gz CEFSZIBYBDHHRC-MUAABCNSSA-N 0 0 518.671 7.125 50 30 KKEARN O=C(/C=C\c1cccc(/C=C\C(=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000103907067 571369463 /nfs/dbraw/zinc/36/94/63/571369463.db2.gz FUQDLTYHDKBCOA-YEUCEMRASA-N 0 0 576.652 7.983 50 30 KKEARN COc1ccc(C(=O)C=CNc2ccc(Cc3ccc(NC=CC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 ZINC000103938790 571370360 /nfs/dbraw/zinc/37/03/60/571370360.db2.gz WXBLTUIFGQFYMP-YAFCTCPESA-N 0 0 578.665 6.929 50 30 KKEARN O=C(C(=O)[C@H](c1ccccc1)[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000104043874 571371629 /nfs/dbraw/zinc/37/16/29/571371629.db2.gz GJTHMHRZFIJUGA-WTMUYZGOSA-N 0 0 532.639 7.816 50 30 KKEARN C[C@H](C(=O)Oc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000104073529 571372290 /nfs/dbraw/zinc/37/22/90/571372290.db2.gz AQVRRHOCKJXEHY-DNOBIOAJSA-N 0 0 572.617 6.055 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104187303 571376357 /nfs/dbraw/zinc/37/63/57/571376357.db2.gz ZMQBBGVVYWZUCE-AYWGPLOBSA-N 0 0 506.426 5.795 50 30 KKEARN O=C(/C=C/c1c2ccccc2cc2ccccc12)c1ccc(C(=O)/C=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000104195735 571376495 /nfs/dbraw/zinc/37/64/95/571376495.db2.gz VZFIUAFFXORRFQ-MMUCEYJRSA-N 0 0 538.646 10.092 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104220346 571377114 /nfs/dbraw/zinc/37/71/14/571377114.db2.gz WDFAAUJKXROSDT-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN N=C(Nc1cccc2ccccc21)SCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000104263956 571378051 /nfs/dbraw/zinc/37/80/51/571378051.db2.gz KOAGXOPMIAVTCG-SXBRIOAWSA-N 0 0 570.438 6.020 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000104471218 571381123 /nfs/dbraw/zinc/38/11/23/571381123.db2.gz FYZMIIHJJJHJSJ-DGWZTRNLSA-N 0 0 527.365 5.701 50 30 KKEARN COc1ccc(C2=Nc3c(C(=O)Nc4ccc(C)c(C)c4)c(Nc4ccccc4)nn3[C@H]3CC(C)(C)CC(=O)C23)cc1 ZINC000104494651 571381284 /nfs/dbraw/zinc/38/12/84/571381284.db2.gz XWQSFRMKRJYRQO-SANMLTNESA-N 0 0 561.686 7.271 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000105789754 571408537 /nfs/dbraw/zinc/40/85/37/571408537.db2.gz WGAAJSQLLVXUMF-PXJZQJOASA-N 0 0 553.928 8.694 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000105789759 571408613 /nfs/dbraw/zinc/40/86/13/571408613.db2.gz WGAAJSQLLVXUMF-XRKRLSELSA-N 0 0 553.928 8.694 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C(F)(F)F)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877381 571409063 /nfs/dbraw/zinc/40/90/63/571409063.db2.gz SERLRAKXYFSGJC-DUHWTSTBSA-N 0 0 596.818 10.158 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C(F)(F)F)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877389 571409068 /nfs/dbraw/zinc/40/90/68/571409068.db2.gz SERLRAKXYFSGJC-RKYIVISYSA-N 0 0 596.818 10.158 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000105959088 571409438 /nfs/dbraw/zinc/40/94/38/571409438.db2.gz IKSNSHCABWQRMK-WPQOSSSNSA-N 0 0 513.446 7.205 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000105981969 571409940 /nfs/dbraw/zinc/40/99/40/571409940.db2.gz WJKFQOVLGFXYOI-CFRMEGHHSA-N 0 0 548.020 5.783 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000106014372 571410383 /nfs/dbraw/zinc/41/03/83/571410383.db2.gz MIFUZAPTPFVHRT-VNOZRXICSA-N 0 0 583.688 6.262 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](O)c1ccccc1 ZINC000106412458 571412508 /nfs/dbraw/zinc/41/25/08/571412508.db2.gz OQQSVTLTTRZWEV-AJQTZOPKSA-N 0 0 567.792 7.465 50 30 KKEARN O=C(CN1C(C(=O)c2ccccc2)=C(Nc2ccccc2[N+](=O)[O-])c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000107449338 571420099 /nfs/dbraw/zinc/42/00/99/571420099.db2.gz GHJRTZOXZSCBFD-UHFFFAOYSA-N 0 0 584.566 5.054 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)c(N)c32)cc1 ZINC000113481065 571439059 /nfs/dbraw/zinc/43/90/59/571439059.db2.gz NCDQEDWDUWOQMV-LPYMAVHISA-N 0 0 607.779 9.793 50 30 KKEARN COc1cccc(/C=C/C(=O)c2ccc(NC(=O)/C(=C\c3ccc(-c4ccccc4OC)o3)NC(=O)c3ccccc3)cc2)c1 ZINC000113481406 571439094 /nfs/dbraw/zinc/43/90/94/571439094.db2.gz RORSIPRXOIAIOC-DQXOQNEPSA-N 0 0 598.655 7.270 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000113561136 571440127 /nfs/dbraw/zinc/44/01/27/571440127.db2.gz PYWVGFLNXIQSPM-ISLYRVAYSA-N 0 0 587.726 8.431 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113562410 571440368 /nfs/dbraw/zinc/44/03/68/571440368.db2.gz DGPCGUISJYEKNN-ISLYRVAYSA-N 0 0 571.727 8.731 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113562683 571440519 /nfs/dbraw/zinc/44/05/19/571440519.db2.gz IMUPKLQYQFKWFI-ISLYRVAYSA-N 0 0 601.753 8.739 50 30 KKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915856 571444026 /nfs/dbraw/zinc/44/40/26/571444026.db2.gz ARBKTKAUJNRJQD-OHGQZVGDSA-N 0 0 572.878 8.431 50 30 KKEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118919152 571445634 /nfs/dbraw/zinc/44/56/34/571445634.db2.gz RRLQCDVGNBTFIN-HIABAPAVSA-N 0 0 566.739 5.069 50 30 biogenic KKEARN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)C1=C2OS(=O)(=O)c2cc(OC)c(OC)cc21 ZINC000136689399 571449671 /nfs/dbraw/zinc/44/96/71/571449671.db2.gz RTHZOIXYWPCCCZ-QHCPKHFHSA-N 0 0 545.407 5.216 50 30 KKEARN [O-][N+]1(Cc2ccc(OC(F)(F)F)cc2)CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000137017157 571449972 /nfs/dbraw/zinc/44/99/72/571449972.db2.gz SUSOBNGZRTYWQF-UHFFFAOYSA-N 0 0 593.486 7.784 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000138218003 571451179 /nfs/dbraw/zinc/45/11/79/571451179.db2.gz QXZGFHNKTWZGNW-HSZRJFAPSA-N 0 0 536.495 6.610 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000145737808 571456588 /nfs/dbraw/zinc/45/65/88/571456588.db2.gz OQOVCWSCIMIYJD-XDFJSJKPSA-N 0 0 591.830 7.646 50 30 KKEARN OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150343708 571459072 /nfs/dbraw/zinc/45/90/72/571459072.db2.gz ZDUOTHMDVYXZBS-UHFFFAOYSA-N 0 0 764.157 9.190 50 30 KKEARN O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150344471 571459361 /nfs/dbraw/zinc/45/93/61/571459361.db2.gz QYPSGGGCZLRESW-UHFFFAOYSA-N 0 0 860.164 10.303 50 30 KKEARN CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000150347881 571460894 /nfs/dbraw/zinc/46/08/94/571460894.db2.gz FPMRELZSCNFHLH-ORYDSYBTSA-N 0 0 664.369 6.067 50 30 KKEARN Cc1[nH]c2ccc(Br)cc2c1CCNC(c1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348886 571461307 /nfs/dbraw/zinc/46/13/07/571461307.db2.gz SSGJOJGCBSFQCC-OXKNFPIISA-N 0 0 653.964 7.740 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000150348888 571461322 /nfs/dbraw/zinc/46/13/22/571461322.db2.gz ZUPYTDZIUJXTQF-POTMTVGHSA-N 0 0 650.710 7.734 50 30 KKEARN COc1ccc(C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000150348896 571461346 /nfs/dbraw/zinc/46/13/46/571461346.db2.gz JEQUAAQFQQMOBK-CWAJCWQHSA-N 0 0 662.746 7.604 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccc(F)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348892 571461358 /nfs/dbraw/zinc/46/13/58/571461358.db2.gz NANLODFXTYXOMK-AVRJXOLHSA-N 0 0 664.737 8.042 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150349722 571461591 /nfs/dbraw/zinc/46/15/91/571461591.db2.gz GELIGHKGWPOTMD-WRGVRERRSA-N 0 0 640.571 6.721 50 30 KKEARN CCCCCCCCC1(CCCCCCCC)c2cc(I)ccc2-c2ccc(I)cc21 ZINC000150351992 571462356 /nfs/dbraw/zinc/46/23/56/571462356.db2.gz AZXJTFHMYPUMPP-UHFFFAOYSA-N 0 0 642.447 10.664 50 30 KKEARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cc(-c2ccc(OC)cc2)c1C#N ZINC000150352362 571462397 /nfs/dbraw/zinc/46/23/97/571462397.db2.gz SPAJLSPBINXDCU-UHFFFAOYSA-N 0 0 661.849 9.166 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c(Cl)c3)cc2Cl)ccc1Br ZINC000150353427 571462789 /nfs/dbraw/zinc/46/27/89/571462789.db2.gz OLYQSMXYLRHUBT-KBVBXEEASA-N 0 0 691.163 9.427 50 30 KKEARN N#Cc1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nsc1SCC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000150354769 571462965 /nfs/dbraw/zinc/46/29/65/571462965.db2.gz UZCNQDQYFCQYBE-UHFFFAOYSA-N 0 0 913.951 9.051 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)cc2s1)NCCOc1ccccc1 ZINC000150363906 571464363 /nfs/dbraw/zinc/46/43/63/571464363.db2.gz SHUODLNWRTZWKO-DPNNOFEESA-N 0 0 657.824 8.003 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](Sc5nc(-c6ccccc6)cc(C(F)(F)F)c5C#N)C4=O)cc3)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000150367816 571465099 /nfs/dbraw/zinc/46/50/99/571465099.db2.gz INMULCJOFCFBLK-ACHIHNKUSA-N 0 0 828.776 8.440 50 30 KKEARN C/C(=N/OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000150369272 571465550 /nfs/dbraw/zinc/46/55/50/571465550.db2.gz WVTYTLRMKBCQLO-KXVFHBAHSA-N 0 0 658.325 9.060 50 30 KKEARN C/C(=N\OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000150369276 571465555 /nfs/dbraw/zinc/46/55/55/571465555.db2.gz WVTYTLRMKBCQLO-QQMJPZKZSA-N 0 0 658.325 9.060 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000150384229 571468128 /nfs/dbraw/zinc/46/81/28/571468128.db2.gz WPXBYZPPNWYIEK-RZDMPUFOSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000150384235 571468266 /nfs/dbraw/zinc/46/82/66/571468266.db2.gz YKPLFDHMTBDKTJ-FPNNDXFKSA-N 0 0 669.096 6.895 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150384577 571468326 /nfs/dbraw/zinc/46/83/26/571468326.db2.gz CWDFQKGJCFRUKO-WENCNXQZSA-N 0 0 640.571 6.721 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)cc1I ZINC000150386615 571469325 /nfs/dbraw/zinc/46/93/25/571469325.db2.gz PWPIKWQCHHTQHL-FFWUMEPTSA-N 0 0 660.271 5.481 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000150385500 571468822 /nfs/dbraw/zinc/46/88/22/571468822.db2.gz QSTAMEPSOLLUIP-DCEDVJGZSA-N 0 0 629.537 6.721 50 30 KKEARN COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000150387492 571470033 /nfs/dbraw/zinc/47/00/33/571470033.db2.gz LGZNEOYEZQAFIZ-WSDLNYQXSA-N 0 0 629.457 6.064 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(CCCC)cc4)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000150390153 571472436 /nfs/dbraw/zinc/47/24/36/571472436.db2.gz YGZFXBMPDVDMJH-UHFFFAOYSA-N 0 0 663.858 11.419 50 30 KKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000150396697 571476704 /nfs/dbraw/zinc/47/67/04/571476704.db2.gz PFKRGFYMBHZTHC-YORKYGNMSA-N 0 0 674.848 10.694 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@H](c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)O2)c1C#N ZINC000150397220 571476779 /nfs/dbraw/zinc/47/67/79/571476779.db2.gz WODHAVINGBPSDQ-NDEPHWFRSA-N 0 0 755.791 6.286 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@H]2OC(c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)=NN2C(C)=O)c1C#N ZINC000150404230 571479015 /nfs/dbraw/zinc/47/90/15/571479015.db2.gz KXVFXEYCHNGLMT-MUUNZHRXSA-N 0 0 771.406 6.461 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Br)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000150404244 571479029 /nfs/dbraw/zinc/47/90/29/571479029.db2.gz IEZMLLPVTJBKIS-UHFFFAOYSA-N 0 0 636.571 8.368 50 30 KKEARN CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1Cc1c(OC(=O)CCCCCCCCCCC)ccc2ccccc21 ZINC000150409724 571482136 /nfs/dbraw/zinc/48/21/36/571482136.db2.gz QJWVYYXRVFMISH-UHFFFAOYSA-N 0 0 664.971 13.236 50 30 KKEARN CC1(C)[C@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000150415610 571485580 /nfs/dbraw/zinc/48/55/80/571485580.db2.gz RPLLGDZEJFCJFH-QHCPKHFHSA-N 0 0 624.513 6.231 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422336 571488361 /nfs/dbraw/zinc/48/83/61/571488361.db2.gz BVDHMYYHSNTMIR-ZORLYMSLSA-N 0 0 644.746 6.916 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150424985 571489560 /nfs/dbraw/zinc/48/95/60/571489560.db2.gz UUGCVEQXKTZKHH-POTDNYQPSA-N 0 0 622.302 6.134 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150428588 571492091 /nfs/dbraw/zinc/49/20/91/571492091.db2.gz VTOBPQBJDYLOMN-KEVKATSASA-N 0 0 632.308 5.590 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150428664 571492289 /nfs/dbraw/zinc/49/22/89/571492289.db2.gz HVBRAWZPYSQANZ-KEVKATSASA-N 0 0 621.409 5.846 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc5ccccc54)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150430426 571493154 /nfs/dbraw/zinc/49/31/54/571493154.db2.gz ZTOQXMIUUIYQKD-RJIGRWNCSA-N 0 0 633.498 5.989 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)ccc1Cl ZINC000150432195 571493998 /nfs/dbraw/zinc/49/39/98/571493998.db2.gz BHIJQZGQKDMOFT-UHFFFAOYSA-N 0 0 686.174 6.566 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000150432736 571494185 /nfs/dbraw/zinc/49/41/85/571494185.db2.gz OVVLNFBVTQBUGM-BHVANESWSA-N 0 0 666.746 6.293 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl ZINC000150432990 571494543 /nfs/dbraw/zinc/49/45/43/571494543.db2.gz AMZFGIWJIANTRW-UHFFFAOYSA-N 0 0 642.121 6.167 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435609 571495538 /nfs/dbraw/zinc/49/55/38/571495538.db2.gz RXPCOCGRINZVLD-LHKMDIPOSA-N 0 0 640.714 6.166 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000150435679 571495792 /nfs/dbraw/zinc/49/57/92/571495792.db2.gz ZXCGGJRJRSITIM-UHFFFAOYSA-N 0 0 640.183 7.740 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435643 571495798 /nfs/dbraw/zinc/49/57/98/571495798.db2.gz IZMFDJIOYIIQEF-XRDGOKTRSA-N 0 0 653.156 7.877 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435636 571495899 /nfs/dbraw/zinc/49/58/99/571495899.db2.gz RWRGISZWCFFKKW-JOZOHXTNSA-N 0 0 632.738 7.532 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(Br)cc1 ZINC000150439161 571497275 /nfs/dbraw/zinc/49/72/75/571497275.db2.gz LJSMEECSWXFREB-JMDODURXSA-N 0 0 622.313 6.154 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150442654 571498945 /nfs/dbraw/zinc/49/89/45/571498945.db2.gz JPZJVEQSSBQFFX-SMSORMJASA-N 0 0 636.970 7.354 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCCn1c(=O)c2ccccc2nc1SCc1ccccc1C#N ZINC000150442907 571499050 /nfs/dbraw/zinc/49/90/50/571499050.db2.gz WVLRWZNNTNIUDK-UHFFFAOYSA-N 0 0 626.767 6.525 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000150454314 571503938 /nfs/dbraw/zinc/50/39/38/571503938.db2.gz JRFQFQHCIMIROV-ONQGDUAMSA-N 0 0 634.707 5.769 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000150459464 571505716 /nfs/dbraw/zinc/50/57/16/571505716.db2.gz JQBMTEGLQGXAND-UHFFFAOYSA-N 0 0 843.465 11.556 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460282 571505915 /nfs/dbraw/zinc/50/59/15/571505915.db2.gz JIBTYEHTTBGWEJ-DNNDWWBDSA-N 0 0 646.762 6.568 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461212 571506395 /nfs/dbraw/zinc/50/63/95/571506395.db2.gz DDNMCDZVBBTUFJ-JNYBUSFRSA-N 0 0 633.795 8.057 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462847 571506696 /nfs/dbraw/zinc/50/66/96/571506696.db2.gz GDOOMUPVZBWQEQ-QXCFGMLZSA-N 0 0 634.710 6.842 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000150463725 571507440 /nfs/dbraw/zinc/50/74/40/571507440.db2.gz PLCQYOAYRFJKNB-QMMFTLRZSA-N 0 0 636.770 7.606 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000150472565 571509934 /nfs/dbraw/zinc/50/99/34/571509934.db2.gz AZXSNBDMSYYFJF-JSXFGMRASA-N 0 0 661.861 8.094 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2ccc(C(=O)OCC)cc2)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1C ZINC000150481123 571512409 /nfs/dbraw/zinc/51/24/09/571512409.db2.gz HFTYECFYMUGEFA-UHFFFAOYSA-N 0 0 698.776 7.427 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000150483022 571513579 /nfs/dbraw/zinc/51/35/79/571513579.db2.gz UDGAMBSFBXNUGF-WUKNDPDISA-N 0 0 655.723 9.450 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000150484825 571515303 /nfs/dbraw/zinc/51/53/03/571515303.db2.gz LTOIQNNAAFFXAL-UVDDSOTQSA-N 0 0 648.550 6.328 50 30 KKEARN N#C[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000150493417 571517407 /nfs/dbraw/zinc/51/74/07/571517407.db2.gz NIYGIPWRAGAHIQ-OBMSKSPOSA-N 0 0 740.341 11.727 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4-c4ccccc4)n3-c3ccccc3C(F)(F)F)sc2C1 ZINC000150496419 571518050 /nfs/dbraw/zinc/51/80/50/571518050.db2.gz AAVCPCMTHRFFLK-NRFANRHFSA-N 0 0 659.759 8.321 50 30 KKEARN Brc1nc(Br)n(CC#CCn2c(Br)nc(Br)c2Br)c1Br ZINC000150496468 571518059 /nfs/dbraw/zinc/51/80/59/571518059.db2.gz FUIYEJVAIHTTEB-UHFFFAOYSA-N 0 0 659.594 5.358 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2=O)cc1 ZINC000150505091 571519049 /nfs/dbraw/zinc/51/90/49/571519049.db2.gz KDFLZVSWWSDBLS-UHFFFAOYSA-N 0 0 677.623 6.302 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150510336 571519831 /nfs/dbraw/zinc/51/98/31/571519831.db2.gz GKVCKYCEEJOVDO-RBBQXQBVSA-N 0 0 676.604 7.021 50 30 KKEARN OC(C#CC#CC(O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000150563270 571521119 /nfs/dbraw/zinc/52/11/19/571521119.db2.gz XFIJWYCDPCUDRJ-UHFFFAOYSA-N 0 0 718.896 11.533 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000150612941 571522989 /nfs/dbraw/zinc/52/29/89/571522989.db2.gz UGJKPKPIWJIAQC-QHCPKHFHSA-N 0 0 662.937 8.871 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000150617234 571523244 /nfs/dbraw/zinc/52/32/44/571523244.db2.gz VHVRKWUZNBGDPF-YDZHTSKRSA-N 0 0 633.347 7.196 50 30 KKEARN CCCCCCCCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000150627274 571523854 /nfs/dbraw/zinc/52/38/54/571523854.db2.gz YYRQICLYZADLPO-UHFFFAOYSA-N 0 0 672.060 10.460 50 30 KKEARN O=C(Nc1nc2ccccc2s1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150629915 571524018 /nfs/dbraw/zinc/52/40/18/571524018.db2.gz KUCUJIYYLPZZOP-UHFFFAOYSA-N 0 0 660.258 6.971 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCOc2ccc3ccccc3c2-c2c(OCCOS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000150653162 571525948 /nfs/dbraw/zinc/52/59/48/571525948.db2.gz LJUDNGNGFBUPCM-UHFFFAOYSA-N 0 0 682.816 7.845 50 30 KKEARN CCCCCCCCCCCCNC(=O)Nc1cc(NC(=O)NCCCCCCCCCCCC)c(Br)cc1Br ZINC000150654554 571526449 /nfs/dbraw/zinc/52/64/49/571526449.db2.gz MZTOZJNZFBBMGD-UHFFFAOYSA-N 0 0 688.634 11.296 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)c(Br)c3N2)cc1 ZINC000150655845 571526879 /nfs/dbraw/zinc/52/68/79/571526879.db2.gz GGRKOBNKNQEBMI-PAXLWEDBSA-N 0 0 636.538 7.651 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)ccc1Cl ZINC000150664041 571528436 /nfs/dbraw/zinc/52/84/36/571528436.db2.gz NKYOGKVHXUIEGV-OALUTQOASA-N 0 0 679.644 6.922 50 30 KKEARN CCCCCCn1c(SCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(OCC)cc2)CC3(C)C)nc2ccccc2c1=O ZINC000159484338 571530369 /nfs/dbraw/zinc/53/03/69/571530369.db2.gz ZPFYAHZHTFJCBL-PFONDFGASA-N 0 0 652.886 8.818 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](OCc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000163155949 571532602 /nfs/dbraw/zinc/53/26/02/571532602.db2.gz FXEMNUKLELAQSW-GPYWBMRESA-N 0 0 666.770 5.207 50 30 KKEARN O=C([C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000169795605 571560696 /nfs/dbraw/zinc/56/06/96/571560696.db2.gz NNBQJBPSZUKMBM-PWNYCUMCSA-N 0 0 598.074 6.626 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@](COCc1ccc(OC)cc1)(OCc1ccccc1)[C@H]1CC=C2CC[C@@H]([C@@H](OCc3ccc(OC)cc3)C(=O)[C@H]1C)C2(C)C ZINC000164594259 571550194 /nfs/dbraw/zinc/55/01/94/571550194.db2.gz KCVFDVJMDYGMBE-BKRKMICPSA-N 0 0 789.022 10.129 50 30 KKEARN F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164730226 571550872 /nfs/dbraw/zinc/55/08/72/571550872.db2.gz MEXQRXXROOSHGK-SOAILLAQSA-N 0 0 950.120 11.001 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1I ZINC000169616355 571553617 /nfs/dbraw/zinc/55/36/17/571553617.db2.gz MMXGNNJKWGPYJK-DPDJPZQYSA-N 0 0 585.489 6.478 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]21 ZINC000169616359 571553627 /nfs/dbraw/zinc/55/36/27/571553627.db2.gz LUEUQNCDVDLZHG-ISJGIBHGSA-N 0 0 561.810 6.229 50 30 KKEARN CSc1nc2c(c(C#N)nn2[C@@H]2C[C@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c(SC)n1 ZINC000169616973 571553754 /nfs/dbraw/zinc/55/37/54/571553754.db2.gz DJEFRDMMTKQMEN-ZRBLBEILSA-N 0 0 589.699 5.129 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c(Br)c3N2)cc1 ZINC000169683094 571557988 /nfs/dbraw/zinc/55/79/88/571557988.db2.gz AMGXNZICLXJZKW-LWLIDHTLSA-N 0 0 594.457 6.625 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000169683200 571558016 /nfs/dbraw/zinc/55/80/16/571558016.db2.gz RIWATRRJNVBRFP-GIJMVEMTSA-N 0 0 519.980 6.507 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000169683202 571558064 /nfs/dbraw/zinc/55/80/64/571558064.db2.gz CURNOZUWCYNFOE-MPHOGZCYSA-N 0 0 562.061 7.533 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000169692381 571558607 /nfs/dbraw/zinc/55/86/07/571558607.db2.gz DAOSWNSGBIQSOY-DNKZPPIMSA-N 0 0 549.689 5.175 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@@H](C(=O)OC)c3ccc(F)cc3Cl)C2)cc1 ZINC000169793715 571560526 /nfs/dbraw/zinc/56/05/26/571560526.db2.gz BGZATNTVUUAOOW-RQNQAMLKSA-N 0 0 502.026 6.460 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000169795114 571560658 /nfs/dbraw/zinc/56/06/58/571560658.db2.gz IPJCUQCVNBWXHR-UHFFFAOYSA-N 0 0 606.376 10.604 50 30 KKEARN CCOC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795623 571560724 /nfs/dbraw/zinc/56/07/24/571560724.db2.gz XYGOQNSELKBBSL-JSKYLQRQSA-N 0 0 690.143 7.260 50 30 KKEARN CCCCCCCCCCCC[Si]1(C[Si](C)(Cc2ccccc2)Cc2ccccc2)c2ccccc2-c2ccccc21 ZINC000169818488 571561195 /nfs/dbraw/zinc/56/11/95/571561195.db2.gz NXTSDSKAMVEMON-UHFFFAOYSA-N 0 0 589.028 10.333 50 30 KKEARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cc(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000198685665 571568027 /nfs/dbraw/zinc/56/80/27/571568027.db2.gz NVEDMRLUKBEWQD-BJKOFHAPSA-N 0 0 740.736 9.902 50 30 KKEARN O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@@](F)(C(F)(F)F)O[C@@](F)(C(F)(F)F)C1(F)F ZINC000198696125 571568395 /nfs/dbraw/zinc/56/83/95/571568395.db2.gz VWRYGZVLKQUPFI-IYBDPMFKSA-N 0 0 592.283 6.984 50 30 KKEARN N/N=C(\C(=O)Nc1ccc(Br)cc1)[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000198725513 571568888 /nfs/dbraw/zinc/56/88/88/571568888.db2.gz GCZZOGKHQHTLAU-OSWLKNJGSA-N 0 0 561.219 5.420 50 30 KKEARN N/N=C(\C(=O)Nc1ccc(Br)cc1)[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000198725493 571568903 /nfs/dbraw/zinc/56/89/03/571568903.db2.gz GCZZOGKHQHTLAU-PKYUNARLSA-N 0 0 561.219 5.420 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@H](c4ccc(Cl)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@@H](c2ccc(Cl)cc2)O1 ZINC000198726993 571568905 /nfs/dbraw/zinc/56/89/05/571568905.db2.gz PETUERHDTWFKLF-PQQNNWGCSA-N 0 0 751.707 9.432 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000215681423 571584581 /nfs/dbraw/zinc/58/45/81/571584581.db2.gz VPPLRYUBVSSPFT-QFIPXVFZSA-N 0 0 528.848 6.882 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000215681303 571584649 /nfs/dbraw/zinc/58/46/49/571584649.db2.gz KQCHXIPHNAOFJL-QFIPXVFZSA-N 0 0 562.400 7.247 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000215680875 571584701 /nfs/dbraw/zinc/58/47/01/571584701.db2.gz FEWOPGQUQDPKSI-QFIPXVFZSA-N 0 0 527.955 6.594 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1cccc(/N=C/c3cccnc3Cl)c1)C[C@@H](c1ccccc1)CC2 ZINC000215718983 571585131 /nfs/dbraw/zinc/58/51/31/571585131.db2.gz XAILMJUALDVYBH-JUSJZLSKSA-N 0 0 543.117 7.422 50 30 KKEARN CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000215717686 571585197 /nfs/dbraw/zinc/58/51/97/571585197.db2.gz BZTOFKRJSWEMKV-UUMXMVENSA-N 0 0 509.100 7.053 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3/N=C/c3cccnc3Cl)c3ccccc3)sc2C1 ZINC000215720292 571585316 /nfs/dbraw/zinc/58/53/16/571585316.db2.gz QJOHLMDFERVVIX-IAAIJJDTSA-N 0 0 557.144 8.016 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3/N=C/c3cccnc3Cl)sc2C1 ZINC000215722484 571585334 /nfs/dbraw/zinc/58/53/34/571585334.db2.gz XYMBEQOZWIZOKD-IKKNOINJSA-N 0 0 523.127 7.301 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C#N)cc1 ZINC000215734682 571585478 /nfs/dbraw/zinc/58/54/78/571585478.db2.gz BFZZSELTNLNPJX-UHFFFAOYSA-N 0 0 549.574 7.234 50 30 KKEARN N#Cc1c(SCC(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000215748441 571585809 /nfs/dbraw/zinc/58/58/09/571585809.db2.gz XZHGPKJJDAXPEP-UHFFFAOYSA-N 0 0 546.596 6.032 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1ccccc1/N=C/c1cccnc1Cl)CC[C@H](c1ccccc1)C2 ZINC000215748954 571585874 /nfs/dbraw/zinc/58/58/74/571585874.db2.gz RVWFVBDTYSWWAR-JUSJZLSKSA-N 0 0 543.117 7.422 50 30 KKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000215864076 571586356 /nfs/dbraw/zinc/58/63/56/571586356.db2.gz HGZPNLFIVPZARE-UGDMGKLASA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)cc2OC)cc1 ZINC000217760614 571602614 /nfs/dbraw/zinc/60/26/14/571602614.db2.gz VEWJFSBCPVJMIQ-JOCHJYFZSA-N 0 0 500.547 5.635 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)cc1 ZINC000218116211 571603386 /nfs/dbraw/zinc/60/33/86/571603386.db2.gz TTYNXEUCEHTTTN-VGBOAXCZSA-N 0 0 560.602 6.309 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)cc1 ZINC000218116124 571603576 /nfs/dbraw/zinc/60/35/76/571603576.db2.gz TTYNXEUCEHTTTN-XTYFKDDUSA-N 0 0 560.602 6.309 50 30 biogenic KKEARN N=C1O[C@@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000261493122 572111438 /nfs/dbraw/zinc/11/14/38/572111438.db2.gz HCBZHEUGOSKSSC-FFPUHSKASA-N 0 0 660.742 7.656 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263584800 572115399 /nfs/dbraw/zinc/11/53/99/572115399.db2.gz AUNVAGMULMMSAE-DEOSSOPVSA-N 0 0 572.654 7.363 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C1=O)cn2C ZINC000263584755 572115518 /nfs/dbraw/zinc/11/55/18/572115518.db2.gz AFDYYMWSOOZPGT-BYZMMWPSSA-N 0 0 643.692 6.809 50 30 KKEARN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)cc1 ZINC000263584803 572115528 /nfs/dbraw/zinc/11/55/28/572115528.db2.gz AUQAOGNGMOZTFR-UAWDSHSBSA-N 0 0 578.617 6.391 50 30 KKEARN COc1ccc2c(c1)c(C(=O)C1=Cc3c(c4ccc5cc(OC)c(OC)cc5c4c(OC)c3OC)CCN1C)c(C)n2C ZINC000263585148 572117038 /nfs/dbraw/zinc/11/70/38/572117038.db2.gz FPBPYBOHMAJVHT-UHFFFAOYSA-N 0 0 580.681 6.548 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)/C=C/c4ccc5c(c4)OCO5)c1)N(C)CC3)OCO2 ZINC000263585604 572119087 /nfs/dbraw/zinc/11/90/87/572119087.db2.gz KOJGEZVBMSBGLR-VQHVLOKHSA-N 0 0 605.441 5.279 50 30 KKEARN COc1ccc(C(=O)Nc2cccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)c2)c(OC)c1 ZINC000263585590 572119396 /nfs/dbraw/zinc/11/93/96/572119396.db2.gz KIZHONPJRQMQLQ-UHFFFAOYSA-N 0 0 595.446 5.168 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc3c(c2)OCCO3)C4=O)cc1 ZINC000263585971 572120926 /nfs/dbraw/zinc/12/09/26/572120926.db2.gz OKUKMAWKKAOEBX-ZMIIAFDNSA-N 0 0 576.601 6.145 50 30 KKEARN COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccccc23)C4=O)cc1OC ZINC000263586234 572122645 /nfs/dbraw/zinc/12/26/45/572122645.db2.gz ROWLWFTYJLWEMB-HCLBYLHQSA-N 0 0 511.530 5.261 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)cc1 ZINC000263586398 572123150 /nfs/dbraw/zinc/12/31/50/572123150.db2.gz UBEDWCOUGYIKIS-KAECXJSPSA-N 0 0 548.591 6.383 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586637 572124269 /nfs/dbraw/zinc/12/42/69/572124269.db2.gz WIDDWYPTEMWYEL-NUDQUTMZSA-N 0 0 518.525 5.498 50 30 KKEARN COc1ccc(C=C2Oc3c(ccc4c3[C@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)c(OC)c1OC ZINC000263586858 572125226 /nfs/dbraw/zinc/12/52/26/572125226.db2.gz YYEAZTNQKQJBNS-QRAWFLTRSA-N 0 0 525.513 5.023 50 30 KKEARN COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)C2=Cc3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 ZINC000263586918 572125860 /nfs/dbraw/zinc/12/58/60/572125860.db2.gz ZPSKFLGVLKFIPX-UHFFFAOYSA-N 0 0 595.446 5.168 50 30 KKEARN c1ccc(N=C(N=P(N2CCOCC2)(N2CCOCC2)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1 ZINC000263621402 572131961 /nfs/dbraw/zinc/13/19/61/572131961.db2.gz DQWCPZGBIVACNS-UHFFFAOYSA-N 0 0 532.669 6.429 50 30 KKEARN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000226762515 572140855 /nfs/dbraw/zinc/14/08/55/572140855.db2.gz HHVVLZZRLBNGGZ-YPAIREEFSA-N 0 0 521.064 6.172 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(NN=Cc3ccc(-c4ccc(Cl)cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000334160646 572153875 /nfs/dbraw/zinc/15/38/75/572153875.db2.gz JHRNMDQUYCWSFV-LQKURTRISA-N 0 0 526.944 6.048 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000229617711 572157260 /nfs/dbraw/zinc/15/72/60/572157260.db2.gz NOBDXYGCCIQULC-JWXXLELASA-N 0 0 582.656 6.242 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229683333 572159553 /nfs/dbraw/zinc/15/95/53/572159553.db2.gz XIZNUTPRUXDUDV-RSYZFUPGSA-N 0 0 543.406 5.371 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229858737 572161624 /nfs/dbraw/zinc/16/16/24/572161624.db2.gz IVOAZOYQLSVSBL-CRJMXQGDSA-N 0 0 662.334 5.598 50 30 KKEARN N#C[C@]1(c2cccc(C(F)(F)F)c2)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000229953027 572173430 /nfs/dbraw/zinc/17/34/30/572173430.db2.gz JHLFSTDSLSFEIA-AQORILLASA-N 0 0 828.350 11.657 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000229955954 572173895 /nfs/dbraw/zinc/17/38/95/572173895.db2.gz REUKUKDNBKXSOG-KGYPQYPISA-N 0 0 547.648 5.186 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000229968588 572175553 /nfs/dbraw/zinc/17/55/53/572175553.db2.gz ZEKGEUXQBBSNIS-DNVJHFABSA-N 0 0 534.981 5.111 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]1c1cccc2ccccc21 ZINC000230001229 572177900 /nfs/dbraw/zinc/17/79/00/572177900.db2.gz GVKLSXRDTRWCEM-PKXQUSJVSA-N 0 0 516.553 5.682 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1F ZINC000230027371 572180052 /nfs/dbraw/zinc/18/00/52/572180052.db2.gz FDHFILKXBRXYCI-RYRVMRHHSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000230035795 572181127 /nfs/dbraw/zinc/18/11/27/572181127.db2.gz ZIRGECIWPQAGCC-UKDVSSAZSA-N 0 0 613.082 6.207 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000230035780 572181151 /nfs/dbraw/zinc/18/11/51/572181151.db2.gz RFJCOWNPDHZBGY-NQHRYMMQSA-N 0 0 611.547 6.582 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000230063389 572182175 /nfs/dbraw/zinc/18/21/75/572182175.db2.gz QYPSIWBBAILGPA-RDVFURSVSA-N 0 0 521.739 6.269 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C ZINC000238950488 572190050 /nfs/dbraw/zinc/19/00/50/572190050.db2.gz YJPKKOIEKGFSNF-RRBBIIPZSA-N 0 0 535.637 5.201 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]3c2ccc(C)o2)ccc1OC(C)C ZINC000239119588 572190721 /nfs/dbraw/zinc/19/07/21/572190721.db2.gz IWBKTFLUPHSHET-IABYTQIASA-N 0 0 535.637 5.468 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239297083 572193284 /nfs/dbraw/zinc/19/32/84/572193284.db2.gz DSOCIAZTFLTVEI-CWEMWAJSSA-N 0 0 825.208 10.556 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000239306006 572193342 /nfs/dbraw/zinc/19/33/42/572193342.db2.gz GHOGDBFUNLVHED-KFJCQRTISA-N 0 0 581.709 6.986 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242722830 572199415 /nfs/dbraw/zinc/19/94/15/572199415.db2.gz XWMIXYNBVNTPFV-IZRIOHMISA-N 0 0 814.126 8.526 50 30 KKEARN O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2O)c1)c1cccc(Cl)c1 ZINC000245225838 572203078 /nfs/dbraw/zinc/20/30/78/572203078.db2.gz SLVAJMXBVJAGAI-UHFFFAOYSA-N 0 0 519.826 7.402 50 30 KKEARN CCC(C)(C)[C@@H]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C1 ZINC000245226001 572203417 /nfs/dbraw/zinc/20/34/17/572203417.db2.gz CURNUYGQYUHNHU-JDRXRODUSA-N 0 0 524.654 6.621 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245228696 572205227 /nfs/dbraw/zinc/20/52/27/572205227.db2.gz CPICIMAOYNHTNT-RDCWZDOOSA-N 0 0 667.416 9.031 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245228682 572205308 /nfs/dbraw/zinc/20/53/08/572205308.db2.gz CEZWFUSDFUFGIB-BXOUZNOYSA-N 0 0 753.509 10.948 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(OC)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1 ZINC000245228885 572205785 /nfs/dbraw/zinc/20/57/85/572205785.db2.gz IEWBOEQRYQJVCO-SKYMCVQSSA-N 0 0 658.578 7.742 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245229069 572206365 /nfs/dbraw/zinc/20/63/65/572206365.db2.gz MJIDTFLOMGOJSN-RDCWZDOOSA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000245229213 572206685 /nfs/dbraw/zinc/20/66/85/572206685.db2.gz QKCSXRVQBKKBGD-IRPXJGOYSA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000245229212 572206701 /nfs/dbraw/zinc/20/67/01/572206701.db2.gz QKCSXRVQBKKBGD-FNKBUZRESA-N 0 0 756.318 9.249 50 30 KKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccccc2OC)cc1 ZINC000245229342 572207135 /nfs/dbraw/zinc/20/71/35/572207135.db2.gz UYHVWFBHMJJWQN-ICACTRECSA-N 0 0 506.602 6.871 50 30 KKEARN O=C1C=CC(=NNc2cccc3ccccc32)C=C1C=[NH+][N-]c1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000245239756 572213152 /nfs/dbraw/zinc/21/31/52/572213152.db2.gz CGUOQEBPFVQSKQ-WZNFQZETSA-N 0 0 543.635 7.326 50 30 KKEARN COc1cc([C@@H]2[C@@H]3C(=O)N(C4=C(C(C)=O)[C@@H]5CC[C@H](C(C)(C)C)C[C@H]5S4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245246843 572219932 /nfs/dbraw/zinc/21/99/32/572219932.db2.gz PPZVANFLPNETLR-SGUDLJDESA-N 0 0 635.739 5.837 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000245247142 572220409 /nfs/dbraw/zinc/22/04/09/572220409.db2.gz QEYSIYPZLGDOJI-OPJRRXFGSA-N 0 0 570.645 6.204 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H]1CO ZINC000245255942 572222577 /nfs/dbraw/zinc/22/25/77/572222577.db2.gz MUWZMPRFSQZJBA-IUAQSZDVSA-N 0 0 569.743 6.169 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n21 ZINC000245326405 572232596 /nfs/dbraw/zinc/23/25/96/572232596.db2.gz JVCGCSLTFVGVDW-XIFFEERXSA-N 0 0 664.581 6.199 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(OC)cc2)CC1 ZINC000245342957 572236786 /nfs/dbraw/zinc/23/67/86/572236786.db2.gz ACMRGNKNNMZRPX-XEVVZDEMSA-N 0 0 555.804 6.545 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 ZINC000247814837 572245585 /nfs/dbraw/zinc/24/55/85/572245585.db2.gz FPHUZMLSEPIFJC-OSSDZZHWSA-N 0 0 543.417 5.391 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000247821102 572245723 /nfs/dbraw/zinc/24/57/23/572245723.db2.gz HYBLWDOQGXPVGZ-MEWSVHOLSA-N 0 0 562.851 5.918 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc3ccccc3c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000247857397 572246467 /nfs/dbraw/zinc/24/64/67/572246467.db2.gz UTIKFJUWPWYULH-NZQYORLDSA-N 0 0 684.619 9.641 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3cc(Cl)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000247935121 572249891 /nfs/dbraw/zinc/24/98/91/572249891.db2.gz RURKFXVOKVQKIX-BJKAILTGSA-N 0 0 554.046 5.228 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248085664 572253270 /nfs/dbraw/zinc/25/32/70/572253270.db2.gz WNSNAVRIAZQGCH-TXQUNOLYSA-N 0 0 512.009 5.340 50 30 KKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccc(NC(=O)CS)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248263900 572257518 /nfs/dbraw/zinc/25/75/18/572257518.db2.gz NLEGBVGWLYMFML-KPTBRKHXSA-N 0 0 579.891 9.122 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000248287656 572257816 /nfs/dbraw/zinc/25/78/16/572257816.db2.gz GNUAFQNRAAFJAY-GLRNTARHSA-N 0 0 790.763 9.903 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000250814873 572259210 /nfs/dbraw/zinc/25/92/10/572259210.db2.gz IQLBKMQSMVEUHD-CMPUJJQDSA-N 0 0 571.752 5.140 50 30 KKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(=S)Nc5ccc(F)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252428415 572260559 /nfs/dbraw/zinc/26/05/59/572260559.db2.gz CULLTSOLLUCJLH-RLZIHXKWSA-N 0 0 551.860 9.510 50 30 KKEARN COc1c2c(cc3c1[C@H](C#C[C@@]1(O)C[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]4(C)C1)N(C)CC3)OCO2 ZINC000252441251 572260951 /nfs/dbraw/zinc/26/09/51/572260951.db2.gz MCUPXNVFHLLYNR-WMIUDKMHSA-N 0 0 531.693 5.219 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000252460467 572261219 /nfs/dbraw/zinc/26/12/19/572261219.db2.gz FQVDARZDDNYCEG-UHFFFAOYSA-N 0 0 508.943 6.046 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000252594386 572266938 /nfs/dbraw/zinc/26/69/38/572266938.db2.gz BSJXTHSBIOIXNL-UHFFFAOYSA-N 0 0 530.216 7.183 50 30 KKEARN COc1ccc(CN=Nc2nc(N=NCc3ccc(OC)cc3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000252591346 572266683 /nfs/dbraw/zinc/26/66/83/572266683.db2.gz BACIDYPULSCSKL-UHFFFAOYSA-N 0 0 604.671 6.268 50 30 KKEARN O=C1Nc2ccc(I)cc2/C1=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252591865 572266719 /nfs/dbraw/zinc/26/67/19/572266719.db2.gz BCGKLOJFOTYIOX-SQJIKLJKSA-N 0 0 523.355 5.422 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1O ZINC000252594003 572266728 /nfs/dbraw/zinc/26/67/28/572266728.db2.gz BOHDOWBSSNQRRA-UHFFFAOYSA-N 0 0 530.216 7.101 50 30 KKEARN CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000252594175 572266810 /nfs/dbraw/zinc/26/68/10/572266810.db2.gz BQAYODMVPLINRW-MEQSKVQGSA-N 0 0 506.671 8.281 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1Cc1ccccc1Cl ZINC000252594811 572266927 /nfs/dbraw/zinc/26/69/27/572266927.db2.gz BUXJSLZZYWWOTL-UHFFFAOYSA-N 0 0 515.065 5.483 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1 ZINC000252597194 572266977 /nfs/dbraw/zinc/26/69/77/572266977.db2.gz CPFWGQWXQNPJTB-UHFFFAOYSA-N 0 0 509.614 5.639 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2CC(C)C)cc1 ZINC000252597712 572267134 /nfs/dbraw/zinc/26/71/34/572267134.db2.gz CUDLSZJJLINZPZ-FSDAICMFSA-N 0 0 501.435 7.522 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2CC(C)C)cc1 ZINC000252597711 572267153 /nfs/dbraw/zinc/26/71/53/572267153.db2.gz CUDLSZJJLINZPZ-DKOZXRCPSA-N 0 0 501.435 7.522 50 30 KKEARN N#Cc1c2c(sc1N=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)CCC2 ZINC000252600253 572267288 /nfs/dbraw/zinc/26/72/88/572267288.db2.gz DPVMCHMHUMOOCX-UHFFFAOYSA-N 0 0 585.148 8.270 50 30 KKEARN O=C(c1ccccc1)N1C(=S)N(c2ccc([N+](=O)[O-])cc2)C(=Nc2ccccc2)C1=Nc1ccccc1 ZINC000252601911 572267400 /nfs/dbraw/zinc/26/74/00/572267400.db2.gz FDTUXDSHYPJUHS-UHFFFAOYSA-N 0 0 505.559 6.303 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252603218 572267522 /nfs/dbraw/zinc/26/75/22/572267522.db2.gz FOTCLXPLHYCDGM-SBZDMIGCSA-N 0 0 516.619 5.993 50 30 KKEARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=Nc1ccc(Cl)c(Cl)c1 ZINC000252604837 572267622 /nfs/dbraw/zinc/26/76/22/572267622.db2.gz GEEAWWVXGGIZKW-KEWSFPRRSA-N 0 0 571.327 7.993 50 30 KKEARN CC(=NNc1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1)c1ccccc1 ZINC000252604342 572267631 /nfs/dbraw/zinc/26/76/31/572267631.db2.gz FYXBMBPYXJVDTR-UHFFFAOYSA-N 0 0 519.218 6.278 50 30 KKEARN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=Nc2ccccc2F)N1C1CCCCC1 ZINC000252604795 572267651 /nfs/dbraw/zinc/26/76/51/572267651.db2.gz GDDCUNFHNIWHDT-VYBYAASNSA-N 0 0 539.676 7.796 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252604304 572267678 /nfs/dbraw/zinc/26/76/78/572267678.db2.gz FYNQLAGACXWTAA-UHFFFAOYSA-N 0 0 545.422 8.397 50 30 KKEARN CCOc1cc(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)c1O ZINC000252603270 572267691 /nfs/dbraw/zinc/26/76/91/572267691.db2.gz FPSBUJPZGOYEJD-CEOBFCBUSA-N 0 0 505.434 5.822 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000252605863 572267740 /nfs/dbraw/zinc/26/77/40/572267740.db2.gz GNONIHNKAOJAFJ-SQMBILOSSA-N 0 0 630.520 7.749 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cn(Cc4ccccc4F)c4ccc(Br)cc34)C(=O)N2C)cc1 ZINC000252605610 572267858 /nfs/dbraw/zinc/26/78/58/572267858.db2.gz GKPJZEOQIRYDGO-LQJBXFLESA-N 0 0 550.453 6.834 50 30 KKEARN CCOc1ccc(N=C2S/C(=C\c3cc(OCC)c(OC)cc3Br)C(=O)N2CC)cc1 ZINC000252608093 572267904 /nfs/dbraw/zinc/26/79/04/572267904.db2.gz HGDZBPNWDODBRR-NZBFAAGASA-N 0 0 505.434 5.879 50 30 KKEARN Clc1ccc(-c2csc(N=NCc3ccc(OCc4ccc(Br)cc4)cc3)n2)c(Cl)c1 ZINC000252608112 572267921 /nfs/dbraw/zinc/26/79/21/572267921.db2.gz HGOLBYKMQWAVQC-UHFFFAOYSA-N 0 0 533.278 7.904 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2cc(-c3nc4ccccc4o3)ccc2Br)c1O ZINC000252607295 572267965 /nfs/dbraw/zinc/26/79/65/572267965.db2.gz GZLVVUMCYHZOSX-UHFFFAOYSA-N 0 0 581.058 7.247 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=Nc2ccccc2)cc1 ZINC000252608575 572268079 /nfs/dbraw/zinc/26/80/79/572268079.db2.gz HLNAFXGNARICQK-FQSJHENSSA-N 0 0 635.583 8.994 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(N=Cc4ccccc4O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000252609007 572268085 /nfs/dbraw/zinc/26/80/85/572268085.db2.gz HPANKKCXEYRRHY-UHFFFAOYSA-N 0 0 529.647 5.281 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=Nc2ccccc2)cc1 ZINC000252609833 572268168 /nfs/dbraw/zinc/26/81/68/572268168.db2.gz HVUKRTGDEQTWSP-CSMSQXLJSA-N 0 0 546.004 7.321 50 30 KKEARN Cc1ccc(N=C2S/C(=C3\c4ccccc4N(Cc4ccccc4)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252611690 572268310 /nfs/dbraw/zinc/26/83/10/572268310.db2.gz ILQOFEGNZUNTRF-BKVMNVIESA-N 0 0 515.638 7.029 50 30 KKEARN COc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(OC)c5ccccc45)c(C)c3)cc2C)c2ccccc12 ZINC000252611716 572268351 /nfs/dbraw/zinc/26/83/51/572268351.db2.gz IMCNWGXLSSISFK-UHFFFAOYSA-N 0 0 548.686 9.795 50 30 KKEARN CCN1c2ccc([N+](=O)[O-])cc2/C(=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)C1=O ZINC000252613134 572268485 /nfs/dbraw/zinc/26/84/85/572268485.db2.gz IYUYDVXZUQOKCV-OBASSNPASA-N 0 0 526.618 6.374 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccccc1 ZINC000252612934 572268497 /nfs/dbraw/zinc/26/84/97/572268497.db2.gz IXHADIPPPOHDFA-YZZPUFQYSA-N 0 0 688.631 9.202 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)SC2=Nc2ccccc2)cc1 ZINC000252614704 572268561 /nfs/dbraw/zinc/26/85/61/572268561.db2.gz JMHRNCOMYIRQMO-NNCYKSHGSA-N 0 0 593.507 8.524 50 30 KKEARN COc1ccc(C(=O)N=C2N(c3ccccc3)C(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 ZINC000252615429 572268622 /nfs/dbraw/zinc/26/86/22/572268622.db2.gz JSEDJJGSOXUUEC-UHFFFAOYSA-N 0 0 549.634 7.679 50 30 KKEARN CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)ccc3o2)cc1 ZINC000252614964 572268627 /nfs/dbraw/zinc/26/86/27/572268627.db2.gz JOFLCGJATJSGFA-UHFFFAOYSA-N 0 0 536.544 8.152 50 30 KKEARN Cc1ccc2oc(-c3cccc(N=Cc4ccc(OS(=O)(=O)c5cc([N+](=O)[O-])ccc5Cl)cc4)c3)nc2c1 ZINC000252615415 572268633 /nfs/dbraw/zinc/26/86/33/572268633.db2.gz JSAFNDNJBMOLCO-UHFFFAOYSA-N 0 0 547.976 6.883 50 30 KKEARN Cc1c(N=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000252615655 572268698 /nfs/dbraw/zinc/26/86/98/572268698.db2.gz JUGXUYDDFBGHJH-WJOKGBTCSA-N 0 0 511.625 7.131 50 30 KKEARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000252616661 572268707 /nfs/dbraw/zinc/26/87/07/572268707.db2.gz KCZNMSPPSVPATF-VAPBWDOPSA-N 0 0 500.064 5.978 50 30 KKEARN 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549.417 8.391 50 30 KKEARN COc1cc(/C=N/c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002942206 1069843040 /nfs/dbraw/zinc/84/30/40/1069843040.db2.gz JWTZKNUHSCAJGZ-VWJSQJICSA-N 0 0 547.394 7.794 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3O)[nH]c2/N=C2\N=C(c3ccccc3O)C=C2c2ccc(OC)cc2)cc1 ZINC000685944617 1070944300 /nfs/dbraw/zinc/94/43/00/1070944300.db2.gz QCEWLYMTWYONIP-LLLYXHGFSA-N 0 0 541.607 7.394 50 30 KKEARN CCCOc1ccccc1[C@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(OC)cc2)C1 ZINC000053339209 1070980848 /nfs/dbraw/zinc/98/08/48/1070980848.db2.gz VYOTVTDMNJMRIN-OLILMLBXSA-N 0 0 550.577 6.947 50 30 KKEARN C=C1C(=NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)C(=C)C(Br)C(=O)C1Br ZINC000102939200 1070977859 /nfs/dbraw/zinc/97/78/59/1070977859.db2.gz WKMZCJBDHUYFDX-DAFNUICNSA-N 0 0 536.245 5.184 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CC(C)C/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2=O)o1 ZINC000102960687 1071053700 /nfs/dbraw/zinc/05/37/00/1071053700.db2.gz KBPKKCNVUIGMIO-IUWSMASESA-N 0 0 580.688 8.661 50 30 KKEARN CCCCCCCCOc1ccc([C@H](CC(=O)OC)C2C(=O)C[C@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000888088654 1071056256 /nfs/dbraw/zinc/05/62/56/1071056256.db2.gz KKPBQVCZGOEBOA-GDYMCRPWSA-N 0 0 629.146 7.178 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)C[C@H]1C ZINC000888088728 1071056371 /nfs/dbraw/zinc/05/63/71/1071056371.db2.gz OJLKJYVLORBCQI-PFTQGLRFSA-N 0 0 523.973 5.004 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)cc2)CC1 ZINC000102964994 1071054482 /nfs/dbraw/zinc/05/44/82/1071054482.db2.gz QDCSTQXNWVMEBB-YHYXMXQVSA-N 0 0 559.438 5.934 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cc(-c4ccc(/N=C/c5ccc([N+](=O)[O-])cc5)cc4)nc(-c4ccccc4)n3)cc2)cc1 ZINC000106750272 1071072284 /nfs/dbraw/zinc/07/22/84/1071072284.db2.gz VPKVJFKWVPOEPZ-DNJOOXRZSA-N 0 0 604.626 8.795 50 30 KKEARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1/N=C1\c2ccccc2C(=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000106774053 1071073487 /nfs/dbraw/zinc/07/34/87/1071073487.db2.gz TWGVUYLKMKUSGV-XWGMSIGLSA-N 0 0 537.488 6.564 50 30 KKEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)Nc2ccccc2S3)ccc1OCc1ccc(Cl)cc1 ZINC000033603708 1071075072 /nfs/dbraw/zinc/07/50/72/1071075072.db2.gz ZFMCLVSPOABNLM-JYRVWZFOSA-N 0 0 500.019 8.032 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2SC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000106693971 1071071140 /nfs/dbraw/zinc/07/11/40/1071071140.db2.gz XVAIFAXEBVRSBD-UHFFFAOYSA-N 0 0 597.418 7.584 50 30 KKEARN COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000102986914 1071080111 /nfs/dbraw/zinc/08/01/11/1071080111.db2.gz WBFSRINAHFZRRL-MXAYSNPKSA-N 0 0 541.589 5.208 50 30 KKEARN COc1ccccc1C(=O)Nc1cccc(C(=O)C2=Cc3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 ZINC000263584734 1071122851 /nfs/dbraw/zinc/12/28/51/1071122851.db2.gz AAEDXCMGLCIFSA-UHFFFAOYSA-N 0 0 565.420 5.159 50 30 KKEARN CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C#C[Si](C)(C)C)cc4)cc3)cc2)cc1)(C(C)C)C(C)C ZINC000169982890 1071150694 /nfs/dbraw/zinc/15/06/94/1071150694.db2.gz IMOOOZCWGQHCRD-UHFFFAOYSA-N 0 0 655.046 10.684 50 30 KKEARN Cc1ccc(N=c2scc(-c3cccc(C(F)(F)F)c3)n2N=Cc2ccc3ncccc3c2)c(C)c1 ZINC000263628350 1071154575 /nfs/dbraw/zinc/15/45/75/1071154575.db2.gz MRJQZFDONICOTL-UHFFFAOYSA-N 0 0 502.565 7.515 50 30 KKEARN COc1cc(-c2cc(C(=O)N3C(=Nc4ccc(C)cc4C)SC[C@H]3C)c3ccccc3n2)cc(OC)c1OC ZINC000263629526 1071155016 /nfs/dbraw/zinc/15/50/16/1071155016.db2.gz RYYJQDAWJQOMOJ-HXUWFJFHSA-N 0 0 541.673 6.810 50 30 KKEARN CCc1ccc(-c2csc(=NC)n2N=Cc2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)cc1 ZINC000263632025 1071155724 /nfs/dbraw/zinc/15/57/24/1071155724.db2.gz HULGEUWUVOGKBG-UHFFFAOYSA-N 0 0 535.691 5.585 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000254382443 1071173315 /nfs/dbraw/zinc/17/33/15/1071173315.db2.gz BPAACEVNNHFYAM-UHFFFAOYSA-N 0 0 528.559 7.227 50 30 KKEARN O=C(C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000150577472 1071174110 /nfs/dbraw/zinc/17/41/10/1071174110.db2.gz NWTSNUBBHYHQAE-ZCXUNETKSA-N 0 0 665.728 5.092 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)c4ccc5c(c4)C(=O)N(CCC(C)C)C5=O)sc3C(C)(C)C2)cc1 ZINC000150623318 1071175653 /nfs/dbraw/zinc/17/56/53/1071175653.db2.gz MAAGPGPORAQGLO-FPLPWBNLSA-N 0 0 651.785 7.234 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000033386136 1071196990 /nfs/dbraw/zinc/19/69/90/1071196990.db2.gz ZNTXHWISYRAVPV-MNDPQUGUSA-N 0 0 525.630 6.212 50 30 KKEARN Cc1ccc(/C(=N/c2sc(-c3ccccc3)nc2-c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000606422237 1071275834 /nfs/dbraw/zinc/27/58/34/1071275834.db2.gz DEVOWPRYEVCZHH-LLZINOMRSA-N 0 0 514.698 7.686 50 30 KKEARN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(-c3ccc(C)cc3)nc2C#N)cc1F ZINC000606422462 1071276571 /nfs/dbraw/zinc/27/65/71/1071276571.db2.gz MEKTVGOABKSJBK-UHFFFAOYSA-N 0 0 521.596 7.305 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)c1nc2ccccc2[nH]1 ZINC000824596490 1071284521 /nfs/dbraw/zinc/28/45/21/1071284521.db2.gz XZDGXAZPYVFKDM-VDSQLLKQSA-N 0 0 718.203 6.760 50 30 KKEARN COc1ccc(CCNC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000824664752 1071284693 /nfs/dbraw/zinc/28/46/93/1071284693.db2.gz LQWQWCKYYVQVHN-GELZDRRZSA-N 0 0 666.123 5.348 50 30 KKEARN CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)C1=O)O2 ZINC000820386030 1071280675 /nfs/dbraw/zinc/28/06/75/1071280675.db2.gz NBJZLPVEQGPNGD-VXUAEHAASA-N 0 0 568.607 5.663 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824912934 1071286886 /nfs/dbraw/zinc/28/68/86/1071286886.db2.gz VEWJSSIFHDOKPD-XMJHSNTQSA-N 0 0 736.243 6.467 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OC)c3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 ZINC000217835080 1071292598 /nfs/dbraw/zinc/29/25/98/1071292598.db2.gz RYQDEFPSGSLRKS-SIBAOGJBSA-N 0 0 578.617 6.391 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OCCc5ccc(OC)cc5)c3)CC(=O)O4)C2=O)cc1 ZINC000217951039 1071293719 /nfs/dbraw/zinc/29/37/19/1071293719.db2.gz SDEBCXRUENXZGH-INQTWUCUSA-N 0 0 548.591 6.383 50 30 biogenic KKEARN O=C(C=Cc1cc2c(cc1Br)OCCO2)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000102414077 1071303520 /nfs/dbraw/zinc/30/35/20/1071303520.db2.gz ZYCSZFCPZKLNSK-TWGQIWQCSA-N 0 0 522.782 6.691 50 30 KKEARN CCN(CC)c1ccc(C=NN=CC2=C(N3CCOCC3)/C(=C/c3ccc(N(CC)CC)cc3)CC2)cc1 ZINC000886012262 1071314587 /nfs/dbraw/zinc/31/45/87/1071314587.db2.gz JGFCUFCMSKYPFD-DMDJPIGDSA-N 0 0 513.730 6.247 50 30 KKEARN CCCC1CCC(=Nn2c(-c3ccc4c(c3)NC(=O)CO4)csc2=Nc2ccc(OCC)cc2)CC1 ZINC000886014946 1071315555 /nfs/dbraw/zinc/31/55/55/1071315555.db2.gz PIQLAMVLDOMTOP-UHFFFAOYSA-N 0 0 504.656 6.373 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=CC1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000886016242 1071316013 /nfs/dbraw/zinc/31/60/13/1071316013.db2.gz JCYAVXJZJVSXKV-AACROFHLSA-N 0 0 531.016 5.611 50 30 KKEARN CC(=Nn1c(-c2ccc(Cl)c(Cl)c2)csc1=Nc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000886017728 1071316435 /nfs/dbraw/zinc/31/64/35/1071316435.db2.gz RZVBIOJIRXPOBU-UHFFFAOYSA-N 0 0 531.390 7.919 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003426179 1071320640 /nfs/dbraw/zinc/32/06/40/1071320640.db2.gz KIOWPJLSGSLJOT-VPMSBXQOSA-N 0 0 521.592 6.115 50 30 KKEARN O=C(C=Cc1cc2c(cc1Br)OCO2)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1 ZINC000222334885 1071322562 /nfs/dbraw/zinc/32/25/62/1071322562.db2.gz WHCJAJUYZIYKHR-YFHOEESVSA-N 0 0 508.755 6.648 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000103135795 1071337603 /nfs/dbraw/zinc/33/76/03/1071337603.db2.gz BMUKFZIPJFRJPJ-JOWQQVNMSA-N 0 0 517.025 5.625 50 30 KKEARN O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21 ZINC000103936304 1071338920 /nfs/dbraw/zinc/33/89/20/1071338920.db2.gz GEZOXFAYADYHJC-JCTVGZNNSA-N 0 0 609.291 9.206 50 30 KKEARN O=C(/C(=C\c1cccc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)c1)C(=O)C(F)(F)F)c1cccs1 ZINC000105856699 1071339469 /nfs/dbraw/zinc/33/94/69/1071339469.db2.gz CUAWVFRONUTUAE-JOBJLJCHSA-N 0 0 542.478 6.605 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945476 1072828346 /nfs/dbraw/zinc/82/83/46/1072828346.db2.gz ULOZARLOQUGWPZ-HJTUWXLRSA-N 0 0 579.826 7.852 50 30 KKEARN CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4/C(=N\O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000954000366 1072830750 /nfs/dbraw/zinc/83/07/50/1072830750.db2.gz YCAZFHUABUMOIM-ZPXWOKQCSA-N 0 0 555.712 5.394 50 30 KKEARN CCCCCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)NC1=O ZINC000245284250 1072831269 /nfs/dbraw/zinc/83/12/69/1072831269.db2.gz QXMHNIJKLPFSGG-DEOSSOPVSA-N 0 0 550.146 6.560 50 30 KKEARN O=C(Nc1ccc(F)c(Cl)c1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100605 1072833248 /nfs/dbraw/zinc/83/32/48/1072833248.db2.gz GWNLBHRIBKZTPP-WPRPVWTQSA-N 0 0 623.618 7.290 50 30 KKEARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)C=C2N(C)c3ccccc3C2(C)C)CCCC4)c1 ZINC000096022173 1072833699 /nfs/dbraw/zinc/83/36/99/1072833699.db2.gz MBTDCWPXHQHBKZ-ONUIUJJFSA-N 0 0 557.741 6.307 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F ZINC000097966947 1072836375 /nfs/dbraw/zinc/83/63/75/1072836375.db2.gz VTGQLWHYQSPQKT-PMERELPUSA-N 0 0 600.613 9.648 50 30 KKEARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 ZINC000097979569 1072837757 /nfs/dbraw/zinc/83/77/57/1072837757.db2.gz DNUJCYCSXMSAOR-ONUIUJJFSA-N 0 0 539.053 5.203 50 30 KKEARN CCOc1ccc(Oc2c(CN=Nc3ccc(S(=O)(=O)N(CC)CC)cn3)c(C)nn2-c2ccccc2)cc1 ZINC000254294842 1072844772 /nfs/dbraw/zinc/84/47/72/1072844772.db2.gz PFLAXEHLOLVFNF-UHFFFAOYSA-N 0 0 548.669 5.243 50 30 KKEARN Cc1cccn2c(=O)c(C=Nc3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)c(Nc3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nc12 ZINC000254295820 1072844861 /nfs/dbraw/zinc/84/48/61/1072844861.db2.gz FRMQWZHWWFUWND-UHFFFAOYSA-N 0 0 770.733 8.200 50 30 KKEARN O=[N+]([O-])c1cccc(/C=C2/CCC(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)=C2N2CCOCC2)c1 ZINC000254296197 1072845302 /nfs/dbraw/zinc/84/53/02/1072845302.db2.gz ZZRIMNJXBOLOOF-CZBWXUJTSA-N 0 0 564.614 7.038 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=c3sc4ccccc4n3C)=C2N2CCOCC2)cc1 ZINC000254310178 1072847001 /nfs/dbraw/zinc/84/70/01/1072847001.db2.gz LLLZDKIWHIAXBN-XBCBFCMTSA-N 0 0 501.700 5.436 50 30 KKEARN Cc1ccsc1C=Nn1c(-c2cc3ccccc3o2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000254350137 1072848763 /nfs/dbraw/zinc/84/87/63/1072848763.db2.gz SBGKOSZUDRJWFG-UHFFFAOYSA-N 0 0 522.677 5.698 50 30 KKEARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254347975 1072848824 /nfs/dbraw/zinc/84/88/24/1072848824.db2.gz RXQUGZNHZZCWLU-NRFANRHFSA-N 0 0 558.450 5.240 50 30 KKEARN Cc1ccc(N=C2S/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000254378447 1072850056 /nfs/dbraw/zinc/85/00/56/1072850056.db2.gz GEAZDBBXEHGVQQ-ZHKVIDFESA-N 0 0 512.635 7.011 50 30 KKEARN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000254386791 1072850958 /nfs/dbraw/zinc/85/09/58/1072850958.db2.gz MQZVPFILRVNRKF-IYBDPMFKSA-N 0 0 508.497 5.237 50 30 KKEARN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc(N=C2C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)c1 ZINC000254395861 1072852035 /nfs/dbraw/zinc/85/20/35/1072852035.db2.gz BCBGXTFJRWBPNN-GDLZYMKVSA-N 0 0 548.586 6.954 50 30 KKEARN COc1ccccc1N=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000254402231 1072853372 /nfs/dbraw/zinc/85/33/72/1072853372.db2.gz LESXFSVXLDUVKL-UHFFFAOYSA-N 0 0 649.729 6.005 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000254431843 1072854879 /nfs/dbraw/zinc/85/48/79/1072854879.db2.gz BOCHPOSALYRSKJ-UHFFFAOYSA-N 0 0 581.414 5.623 50 30 KKEARN CCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)OCC(F)(F)C(F)F)cc1 ZINC000254480364 1072856887 /nfs/dbraw/zinc/85/68/87/1072856887.db2.gz LJQJRYTXTFJLQI-UHFFFAOYSA-N 0 0 550.487 5.005 50 30 KKEARN COc1cc(-c2csc(=Nc3cccc(C)c3C)n2N=Cc2cn(-c3ccccc3)nc2-c2ccsc2)cc(OC)c1OC ZINC000254480183 1072856932 /nfs/dbraw/zinc/85/69/32/1072856932.db2.gz UGBIEOGHXLSZTL-UHFFFAOYSA-N 0 0 621.788 7.888 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(C=Nn2c(-c3cccs3)csc2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000254491101 1072858289 /nfs/dbraw/zinc/85/82/89/1072858289.db2.gz FRMARLQVPYNWBK-UHFFFAOYSA-N 0 0 604.805 7.217 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cc(N=Cc3ccc4c(c3)OCCO4)ccc2N2CCCCC2)cc1 ZINC000254506959 1072860436 /nfs/dbraw/zinc/86/04/36/1072860436.db2.gz OKWLCGNESOPIRP-UHFFFAOYSA-N 0 0 507.612 5.008 50 30 KKEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000254544577 1072862956 /nfs/dbraw/zinc/86/29/56/1072862956.db2.gz YVCABUSKKISNKL-UHFFFAOYSA-N 0 0 504.633 5.454 50 30 KKEARN Cc1sc2ncnc(N3CCC(C(=O)N4C[C@H](C)SC4=Nc4ccc(Cl)cc4)CC3)c2c1C ZINC000254565360 1072864246 /nfs/dbraw/zinc/86/42/46/1072864246.db2.gz AUZKPFSVAIBWDH-AWEZNQCLSA-N 0 0 500.093 5.830 50 30 KKEARN COc1ccccc1C=Nn1cnnc1S[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000254595384 1072866254 /nfs/dbraw/zinc/86/62/54/1072866254.db2.gz ZPFSMGSWVRMTJB-KAYWLYCHSA-N 0 0 541.658 5.189 50 30 KKEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000254605820 1072866783 /nfs/dbraw/zinc/86/67/83/1072866783.db2.gz BXNFLAGGLZHIJB-UHFFFAOYSA-N 0 0 519.692 5.828 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254659108 1072869478 /nfs/dbraw/zinc/86/94/78/1072869478.db2.gz PHLXRRHMOBJNKF-UHFFFAOYSA-N 0 0 538.589 5.694 50 30 KKEARN Cc1cc(C2(c3ccc(N=Cc4ccc5c(c4)C(C)(C)[C@H](C)N5C)c(C)c3)CCCCC2)ccc1N=Cc1ccc2c(c1)C(C)(C)[C@@H](C)N2C ZINC000254702740 1072870918 /nfs/dbraw/zinc/87/09/18/1072870918.db2.gz ZYDTWTXGLBWCNS-CZFRINIUSA-N 0 0 664.982 11.287 50 30 KKEARN O=S(=O)(c1ccc(N2CCOCC2)c(N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c1)N1CCOCC1 ZINC000254747263 1072875530 /nfs/dbraw/zinc/87/55/30/1072875530.db2.gz YMCPCWQDWDCIIZ-UHFFFAOYSA-N 0 0 606.748 5.906 50 30 KKEARN C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000254746334 1072875776 /nfs/dbraw/zinc/87/57/76/1072875776.db2.gz BFYQKMGRYWVEOG-UHFFFAOYSA-N 0 0 587.652 6.657 50 30 KKEARN COc1cc(OC)c(OC)cc1C=Nn1c(-c2ccc(OC(F)F)cc2)csc1=Nc1ccc(F)cc1F ZINC000254764284 1072877813 /nfs/dbraw/zinc/87/78/13/1072877813.db2.gz QZSWVGYNUUDAHF-UHFFFAOYSA-N 0 0 547.530 6.237 50 30 KKEARN COC(=O)c1ccc(COc2ccccc2C=NN2C(=S)N=NC2Cc2cccc3ccccc32)cc1 ZINC000254763475 1072877931 /nfs/dbraw/zinc/87/79/31/1072877931.db2.gz GXRBPHACHVYVDZ-UHFFFAOYSA-N 0 0 508.603 5.559 50 30 KKEARN COc1cc(C=Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000254834144 1072882657 /nfs/dbraw/zinc/88/26/57/1072882657.db2.gz YIGBCNWYYPHMAR-UHFFFAOYSA-N 0 0 520.555 7.029 50 30 KKEARN Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000254841536 1072884051 /nfs/dbraw/zinc/88/40/51/1072884051.db2.gz QFAMMNRNXAMBPZ-UHFFFAOYSA-N 0 0 510.575 5.827 50 30 KKEARN C(=NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000254868445 1072886759 /nfs/dbraw/zinc/88/67/59/1072886759.db2.gz UQUNROSUHFSNOY-WNVNQKAXSA-N 0 0 534.704 5.970 50 30 KKEARN COc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3)CC(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000254875983 1072888440 /nfs/dbraw/zinc/88/84/40/1072888440.db2.gz MSDRXAIYGCYTQH-PMERELPUSA-N 0 0 549.696 6.878 50 30 KKEARN Cc1c(N=CC2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000254907580 1072889568 /nfs/dbraw/zinc/88/95/68/1072889568.db2.gz KSEUQPNUBKYEAN-GDLZYMKVSA-N 0 0 517.654 7.192 50 30 KKEARN O=C(C(=O)c1ccc(C#Cc2ccc(Sc3ccccc3)cc2)cc1)c1ccc(C#Cc2ccc(Sc3ccccc3)cc2)cc1 ZINC000150460738 1072903995 /nfs/dbraw/zinc/90/39/95/1072903995.db2.gz VNYOQBRLDCLODN-UHFFFAOYSA-N 0 0 626.802 9.854 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000000626673 193857920 /nfs/dbraw/zinc/85/79/20/193857920.db2.gz HXKURAVERIWKLH-NRFANRHFSA-N 0 0 504.421 5.253 50 30 biogenic,in-vitro KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000647896 193864476 /nfs/dbraw/zinc/86/44/76/193864476.db2.gz WAZPUEUUPMCZQK-WRGVRERRSA-N 0 0 547.648 5.568 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000000648696 193865745 /nfs/dbraw/zinc/86/57/45/193865745.db2.gz ORXKFILONVNSBH-RUZDIDTESA-N 0 0 513.993 5.844 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(OC)ccc3OC)c2C#N)cc1 ZINC000000648143 193864867 /nfs/dbraw/zinc/86/48/67/193864867.db2.gz PZOISCGEMRZULV-UHFFFAOYSA-N 0 0 511.603 6.044 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000649230 193866861 /nfs/dbraw/zinc/86/68/61/193866861.db2.gz WPQCLTHGMJAKLL-QXNWPYRLSA-N 0 0 539.628 5.817 50 30 KKEARN COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006246002 193877488 /nfs/dbraw/zinc/87/74/88/193877488.db2.gz YZSCOXBDDZSBSB-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019535369 193882547 /nfs/dbraw/zinc/88/25/47/193882547.db2.gz FIWNUQUWVLKSTC-PMERELPUSA-N 0 0 509.602 5.986 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000019760629 193884055 /nfs/dbraw/zinc/88/40/55/193884055.db2.gz JWOQJTNGEITARA-NGQVCNFZSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000019761294 193884100 /nfs/dbraw/zinc/88/41/00/193884100.db2.gz BTBCINOPBPFAQM-NGOKVRLYSA-N 0 0 535.637 5.282 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000100374762 193907872 /nfs/dbraw/zinc/90/78/72/193907872.db2.gz MHNQGTHSIJTDNL-UHFFFAOYSA-N 0 0 635.599 7.147 50 30 KKEARN C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 ZINC000253531297 195475049 /nfs/dbraw/zinc/47/50/49/195475049.db2.gz VIEYZFXQTPXFTM-OQJXVNGXSA-N 0 0 549.708 5.019 50 30 KKEARN CC(C)[C@@H]1C[C@](CCNC(=O)CON=C2C=C3CC[C@@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)(c2ccccc2)CCO1 ZINC000253533510 195477797 /nfs/dbraw/zinc/47/77/97/195477797.db2.gz LXJJPMRXQSENFL-NYXWLGJNSA-N 0 0 590.849 6.962 50 30 KKEARN COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000000623254 551503202 /nfs/dbraw/zinc/50/32/02/551503202.db2.gz FAOLPGPRWBPOIT-DEOSSOPVSA-N 0 0 586.280 6.153 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000000626669 551504017 /nfs/dbraw/zinc/50/40/17/551504017.db2.gz HXKURAVERIWKLH-OAQYLSRUSA-N 0 0 504.421 5.253 50 30 biogenic,in-vitro KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000631093 551505059 /nfs/dbraw/zinc/50/50/59/551505059.db2.gz DBZFYQVBOOYEKY-QFIPXVFZSA-N 0 0 520.607 5.427 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@H](c1ccco1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000000646959 551507839 /nfs/dbraw/zinc/50/78/39/551507839.db2.gz UCWNDNGCNDKZKF-SWLSCSKDSA-N 0 0 540.365 5.963 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000647240 551508165 /nfs/dbraw/zinc/50/81/65/551508165.db2.gz JTISBAXSJKDXLT-WRGVRERRSA-N 0 0 527.577 5.923 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2Br)cc1OC ZINC000000648033 551509089 /nfs/dbraw/zinc/50/90/89/551509089.db2.gz PEAINFBOUYIZPL-HFJWLAOPSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Br)cc2)cc1OC ZINC000000647965 551509116 /nfs/dbraw/zinc/50/91/16/551509116.db2.gz OZZQPRXAVRMNEY-NIYFSFCBSA-N 0 0 540.454 5.780 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000000648369 551509581 /nfs/dbraw/zinc/50/95/81/551509581.db2.gz CXNQCSKAVCVGDQ-OVBXVEMXSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000648505 551509991 /nfs/dbraw/zinc/50/99/91/551509991.db2.gz LCRWNKYCCJQNCD-AFJIDDCJSA-N 0 0 535.637 5.282 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000000648575 551510128 /nfs/dbraw/zinc/51/01/28/551510128.db2.gz VWTMVKBTWHJDKQ-OAQYLSRUSA-N 0 0 516.388 5.112 50 30 KKEARN 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551.595 5.969 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000000707860 551531845 /nfs/dbraw/zinc/53/18/45/551531845.db2.gz FJZSFPXLVUJBAO-MNNSJKJDSA-N 0 0 501.623 5.941 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000000708167 551532098 /nfs/dbraw/zinc/53/20/98/551532098.db2.gz ZZISXLNUWTZCRV-WINIVTDRSA-N 0 0 584.507 6.123 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000000708169 551532135 /nfs/dbraw/zinc/53/21/35/551532135.db2.gz ZZISXLNUWTZCRV-PPHZAIPVSA-N 0 0 584.507 6.123 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000000708841 551532662 /nfs/dbraw/zinc/53/26/62/551532662.db2.gz HOMBNCIAELSWOR-HAWMADMCSA-N 0 0 523.814 6.811 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000000708840 551532699 /nfs/dbraw/zinc/53/26/99/551532699.db2.gz 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/nfs/dbraw/zinc/53/66/24/551536624.db2.gz JZOXXKYQJHQKSF-SONOPUAISA-N 0 0 500.595 6.091 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1O ZINC000000720660 551537198 /nfs/dbraw/zinc/53/71/98/551537198.db2.gz IQQYFMUEUBWVGS-SHACYNPGSA-N 0 0 511.441 6.594 50 30 biogenic,in-vitro KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000728231 551538876 /nfs/dbraw/zinc/53/88/76/551538876.db2.gz FASBZLRDICDYMV-KCWXNJEJSA-N 0 0 501.623 5.941 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000781360 551542031 /nfs/dbraw/zinc/54/20/31/551542031.db2.gz WERTVQKMNOZOJA-IPBJYNAHSA-N 0 0 539.628 5.817 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000000786615 551542615 /nfs/dbraw/zinc/54/26/15/551542615.db2.gz QTXZYKWLHDHASC-UHFFFAOYSA-N 0 0 531.605 6.583 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000000797887 551543256 /nfs/dbraw/zinc/54/32/56/551543256.db2.gz YAUICSYDROBYOS-NRFANRHFSA-N 0 0 521.323 5.359 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000822771 551544352 /nfs/dbraw/zinc/54/43/52/551544352.db2.gz CYPVXLXUJIHCOZ-KPURRNSFSA-N 0 0 501.623 6.028 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000000845359 551548852 /nfs/dbraw/zinc/54/88/52/551548852.db2.gz VEMOBZAPPNEBJZ-ZDUSSCGKSA-N 0 0 529.613 6.813 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1 ZINC000000859211 551550735 /nfs/dbraw/zinc/55/07/35/551550735.db2.gz CFBFKMVXKQVWIV-UHFFFAOYSA-N 0 0 574.456 6.330 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000861293 551551258 /nfs/dbraw/zinc/55/12/58/551551258.db2.gz FVKCASZTZHJZDS-BNHRFMORSA-N 0 0 553.655 5.860 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000000861360 551551284 /nfs/dbraw/zinc/55/12/84/551551284.db2.gz FFHZIHVUMZGNRB-QABMSTFYSA-N 0 0 511.593 5.982 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000861312 551551323 /nfs/dbraw/zinc/55/13/23/551551323.db2.gz KHQUNXVLPVWIQM-RCRUUEGKSA-N 0 0 574.073 6.210 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000000861400 551551546 /nfs/dbraw/zinc/55/15/46/551551546.db2.gz BIWZWPVGLJSJHO-MZNJEOGPSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863446 551551846 /nfs/dbraw/zinc/55/18/46/551551846.db2.gz AEIZBJYIJQQVEU-PBBNMVCDSA-N 0 0 546.620 5.850 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863365 551551883 /nfs/dbraw/zinc/55/18/83/551551883.db2.gz IFDPCQIRWDNVNR-PBBNMVCDSA-N 0 0 546.620 5.850 50 30 KKEARN O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Br)cc2c1OCOC2 ZINC000000940988 551587853 /nfs/dbraw/zinc/58/78/53/551587853.db2.gz IBXMMFUMFDZWCY-BJKOFHAPSA-N 0 0 501.760 5.871 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccncc1 ZINC000000949873 551588834 /nfs/dbraw/zinc/58/88/34/551588834.db2.gz RUQVTQALOFGOPD-UHFFFAOYSA-N 0 0 551.019 5.976 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000000949880 551588840 /nfs/dbraw/zinc/58/88/40/551588840.db2.gz OYVPLRUPMOXEJJ-UHFFFAOYSA-N 0 0 526.087 5.783 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000985923 551592538 /nfs/dbraw/zinc/59/25/38/551592538.db2.gz VFKHKRRDTMZELY-WNSROMTISA-N 0 0 574.677 7.235 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000000985929 551592807 /nfs/dbraw/zinc/59/28/07/551592807.db2.gz JRGWDTTXIFPOFJ-HZAQMHFWSA-N 0 0 530.596 6.162 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000986569 551593084 /nfs/dbraw/zinc/59/30/84/551593084.db2.gz JQCXXEPNSXRKKH-IPBJYNAHSA-N 0 0 552.627 5.801 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@H]2c1ccccn1 ZINC000000997254 551594833 /nfs/dbraw/zinc/59/48/33/551594833.db2.gz NMAOODXZSPIVNA-VWLOTQADSA-N 0 0 502.412 6.301 50 30 KKEARN CCc1c(C)sc(NC(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)c1C#N ZINC000000996569 551594883 /nfs/dbraw/zinc/59/48/83/551594883.db2.gz NLNWWYCPZJTOTI-UHFFFAOYSA-N 0 0 540.390 6.295 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000001022908 551597239 /nfs/dbraw/zinc/59/72/39/551597239.db2.gz LDBZZANVYFOJNJ-HXUWFJFHSA-N 0 0 501.446 5.491 50 30 KKEARN COc1cc([C@@H](C#N)N(Cc2ccccc2)C(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC ZINC000001026619 551597568 /nfs/dbraw/zinc/59/75/68/551597568.db2.gz IUQCRPMOGXDXRR-HXUWFJFHSA-N 0 0 507.011 6.488 50 30 KKEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(C)cc(C)c1C#N ZINC000001061620 551600831 /nfs/dbraw/zinc/60/08/31/551600831.db2.gz FEKTXJRLVJYRHH-UHFFFAOYSA-N 0 0 516.417 5.219 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001074679 551603850 /nfs/dbraw/zinc/60/38/50/551603850.db2.gz GOEUBBWMCWJGBE-JIPXPUAJSA-N 0 0 504.051 6.549 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001074675 551603855 /nfs/dbraw/zinc/60/38/55/551603855.db2.gz VAQRYKROYDUKBL-IDISGSTGSA-N 0 0 514.603 5.804 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000001074844 551604010 /nfs/dbraw/zinc/60/40/10/551604010.db2.gz YVTMKFZLGNUODL-MMTVBGGISA-N 0 0 512.606 5.092 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000001075080 551604100 /nfs/dbraw/zinc/60/41/00/551604100.db2.gz KNOBFZGFXJONAZ-QUGAMOGWSA-N 0 0 555.469 5.067 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001076871 551604351 /nfs/dbraw/zinc/60/43/51/551604351.db2.gz HNJGJVPYICDEEU-YRVHBCJASA-N 0 0 579.491 6.853 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001076369 551604355 /nfs/dbraw/zinc/60/43/55/551604355.db2.gz PCZYCBCLDGOSBO-MYUZEXMDSA-N 0 0 545.661 5.478 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000001076964 551604357 /nfs/dbraw/zinc/60/43/57/551604357.db2.gz LMRMTNWBYNPHID-CRYYWNKWSA-N 0 0 501.539 5.600 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000001077060 551604372 /nfs/dbraw/zinc/60/43/72/551604372.db2.gz IYBVGXTVAJUOFF-WRHNGFHOSA-N 0 0 519.439 6.754 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000001077041 551604380 /nfs/dbraw/zinc/60/43/80/551604380.db2.gz IYBVGXTVAJUOFF-XDBZFTIUSA-N 0 0 519.439 6.754 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001077262 551604554 /nfs/dbraw/zinc/60/45/54/551604554.db2.gz IWQDSHGMTYGVIG-WVDZOPJMSA-N 0 0 595.490 6.559 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001077258 551604601 /nfs/dbraw/zinc/60/46/01/551604601.db2.gz IWQDSHGMTYGVIG-HJWYETAXSA-N 0 0 595.490 6.559 50 30 KKEARN O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1coc3c(Cl)cc(Cl)cc3c1=O)Nc1ccccc1N2 ZINC000001077658 551604894 /nfs/dbraw/zinc/60/48/94/551604894.db2.gz DPIKRURGINQRJE-RKNYENMMSA-N 0 0 509.414 7.141 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000001082037 551605856 /nfs/dbraw/zinc/60/58/56/551605856.db2.gz IPVJOMVZTVREBL-FWUCURJTSA-N 0 0 558.074 6.505 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001082024 551605916 /nfs/dbraw/zinc/60/59/16/551605916.db2.gz IUOPGSNWOXYEAG-JHPRIADQSA-N 0 0 540.056 6.069 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000001082088 551606186 /nfs/dbraw/zinc/60/61/86/551606186.db2.gz BSUISPGUVCRMIN-ZOYWYXQUSA-N 0 0 567.638 5.734 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)nc2scc(-c3ccco3)c2c1=O ZINC000001094070 551607208 /nfs/dbraw/zinc/60/72/08/551607208.db2.gz PYHTWJYOWRVUAX-UHFFFAOYSA-N 0 0 515.660 6.595 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001111153 551611325 /nfs/dbraw/zinc/61/13/25/551611325.db2.gz IFQPSCALQUNFFU-JPZYQRIQSA-N 0 0 583.641 5.929 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2OC)cc1OC ZINC000001123295 551613447 /nfs/dbraw/zinc/61/34/47/551613447.db2.gz BWUAZFHBAMPFTM-UVDDSOTQSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001123832 551613742 /nfs/dbraw/zinc/61/37/42/551613742.db2.gz LQFNVGRJLJSFHW-CHJDUVSTSA-N 0 0 553.615 5.921 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000001129927 551615395 /nfs/dbraw/zinc/61/53/95/551615395.db2.gz FUKDUHQIGAJSOT-DEOSSOPVSA-N 0 0 539.426 5.429 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000001140637 551616909 /nfs/dbraw/zinc/61/69/09/551616909.db2.gz HTLHPIAZRCNFJV-PRAQEBQASA-N 0 0 575.683 5.888 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000001141094 551617087 /nfs/dbraw/zinc/61/70/87/551617087.db2.gz DCLDAEUWWJDOOY-WHEQGISXSA-N 0 0 518.429 5.062 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000001146210 551618479 /nfs/dbraw/zinc/61/84/79/551618479.db2.gz BGAURYNIBLQUFG-NRFANRHFSA-N 0 0 557.397 5.037 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2coc3ccccc3c2=O)cc1 ZINC000001152099 551619381 /nfs/dbraw/zinc/61/93/81/551619381.db2.gz GZGHGWNTPDSGEM-WRONEBCDSA-N 0 0 553.636 5.968 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 ZINC000001155625 551619382 /nfs/dbraw/zinc/61/93/82/551619382.db2.gz CJWSDXHMYPVQSV-RBTNQOKQSA-N 0 0 515.606 5.329 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000001170526 551620225 /nfs/dbraw/zinc/62/02/25/551620225.db2.gz HPTBOEQTGZJMKD-UHFFFAOYSA-N 0 0 535.422 5.369 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000001182246 551621157 /nfs/dbraw/zinc/62/11/57/551621157.db2.gz BSKBNXHQNOUPBV-QLXKLKPCSA-N 0 0 505.412 6.533 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000001199026 551622992 /nfs/dbraw/zinc/62/29/92/551622992.db2.gz GIQXVFDOZPSQOZ-QFIPXVFZSA-N 0 0 507.340 5.178 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000001201585 551623492 /nfs/dbraw/zinc/62/34/92/551623492.db2.gz XTOKWTPBUWQIBS-QXNWPYRLSA-N 0 0 537.612 5.571 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000001202068 551623501 /nfs/dbraw/zinc/62/35/01/551623501.db2.gz OFYFKDBIJRFJOG-XXKRRWLPSA-N 0 0 547.648 5.723 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001204246 551624190 /nfs/dbraw/zinc/62/41/90/551624190.db2.gz VMRRYIWFXVRKKD-NGOKVRLYSA-N 0 0 566.492 6.314 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001203982 551624203 /nfs/dbraw/zinc/62/42/03/551624203.db2.gz COJIYHDJZSNXQY-IADCTJSHSA-N 0 0 514.021 6.193 50 30 KKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001213270 551625690 /nfs/dbraw/zinc/62/56/90/551625690.db2.gz UTCUJNYURCINBS-UFHPHHKVSA-N 0 0 501.623 5.592 50 30 KKEARN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000001237860 551630025 /nfs/dbraw/zinc/63/00/25/551630025.db2.gz REIARYNNAKRYTP-UOODYVSWSA-N 0 0 527.387 5.456 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccccc5Br)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001238960 551630307 /nfs/dbraw/zinc/63/03/07/551630307.db2.gz WKZAZNQLVCMBGO-QFIPXVFZSA-N 0 0 561.436 5.739 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001239292 551630373 /nfs/dbraw/zinc/63/03/73/551630373.db2.gz SKYDUIRPIPWPIR-HRFSGMKKSA-N 0 0 550.533 5.945 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc(Br)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000001257682 551633227 /nfs/dbraw/zinc/63/32/27/551633227.db2.gz ISKHHOQNLQZLOT-PIKZIKFNSA-N 0 0 501.424 6.678 50 30 KKEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001274912 551635407 /nfs/dbraw/zinc/63/54/07/551635407.db2.gz MSQFKNSZCAAFMZ-OAQYLSRUSA-N 0 0 582.037 6.644 50 30 KKEARN COc1cc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000001283756 551636780 /nfs/dbraw/zinc/63/67/80/551636780.db2.gz YUBQSNOXOLOXNG-QFIPXVFZSA-N 0 0 513.019 5.272 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000001293531 551637298 /nfs/dbraw/zinc/63/72/98/551637298.db2.gz BVTQPPNNKUMGBJ-GPNASLBKSA-N 0 0 538.644 6.429 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000001301429 551638201 /nfs/dbraw/zinc/63/82/01/551638201.db2.gz ZYWGIEIWAWOAQJ-DLLPINGYSA-N 0 0 548.664 7.058 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000001405214 551661740 /nfs/dbraw/zinc/66/17/40/551661740.db2.gz GUNOXLFOWFFWTJ-UHFFFAOYSA-N 0 0 529.691 6.055 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000001411045 551664766 /nfs/dbraw/zinc/66/47/66/551664766.db2.gz ANTOFYBIYKXPDY-NDEPHWFRSA-N 0 0 526.589 5.405 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413435 551665427 /nfs/dbraw/zinc/66/54/27/551665427.db2.gz FVTZDPWPQDTWJC-AREMUKBSSA-N 0 0 545.433 6.150 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 ZINC000001413443 551665776 /nfs/dbraw/zinc/66/57/76/551665776.db2.gz WIWPKEPHHNDTSG-XMMPIXPASA-N 0 0 517.379 5.457 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001413512 551666014 /nfs/dbraw/zinc/66/60/14/551666014.db2.gz ILCFBXUFTSVAQV-MHZLTWQESA-N 0 0 512.562 5.015 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414777 551666580 /nfs/dbraw/zinc/66/65/80/551666580.db2.gz YXMZIVCFAQWSPQ-VWLOTQADSA-N 0 0 502.954 5.357 50 30 KKEARN CCOc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]23)cc1 ZINC000001421507 551668569 /nfs/dbraw/zinc/66/85/69/551668569.db2.gz SNZMYKOCJBYYBR-SOBWUQEYSA-N 0 0 542.635 6.437 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)sc2c1CCCC2 ZINC000001423088 551669035 /nfs/dbraw/zinc/66/90/35/551669035.db2.gz USWMGVPZGTUSOH-DEOSSOPVSA-N 0 0 524.708 6.108 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427575 551669719 /nfs/dbraw/zinc/66/97/19/551669719.db2.gz HGSDHTVTJUAUPR-MQNRADLISA-N 0 0 527.448 7.194 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000001431242 551670206 /nfs/dbraw/zinc/67/02/06/551670206.db2.gz HSUUXWMRFCQIIW-MYUZEXMDSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001431231 551670258 /nfs/dbraw/zinc/67/02/58/551670258.db2.gz YTEBPSZIPLMKRH-WTYVLRPYSA-N 0 0 529.614 5.590 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000001431245 551670275 /nfs/dbraw/zinc/67/02/75/551670275.db2.gz KGOQSHVMWDEQGR-CCLHPLFOSA-N 0 0 515.631 5.870 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001434713 551670632 /nfs/dbraw/zinc/67/06/32/551670632.db2.gz MEZHBYFCCZVRLA-KUNJGFBQSA-N 0 0 581.463 6.169 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001434666 551670637 /nfs/dbraw/zinc/67/06/37/551670637.db2.gz QLUSKFSCSKSWFG-DCFHFQCYSA-N 0 0 530.602 5.770 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001434621 551670662 /nfs/dbraw/zinc/67/06/62/551670662.db2.gz SGSCAYVKOAPVHE-WRONEBCDSA-N 0 0 575.683 5.888 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2Br)c1 ZINC000001434705 551670671 /nfs/dbraw/zinc/67/06/71/551670671.db2.gz UNXOEMOVDOZAFR-UULLZXFKSA-N 0 0 535.438 6.454 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1OC ZINC000001434741 551670961 /nfs/dbraw/zinc/67/09/61/551670961.db2.gz VESXKRDHVXACAZ-LFPIHBKWSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001434727 551671023 /nfs/dbraw/zinc/67/10/23/551671023.db2.gz PJOAFEBZPSBEJN-DLUDVSRJSA-N 0 0 511.441 6.507 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438574 551671965 /nfs/dbraw/zinc/67/19/65/551671965.db2.gz DQLVSROYLVBNAO-WTYVLRPYSA-N 0 0 523.610 5.960 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001438580 551671979 /nfs/dbraw/zinc/67/19/79/551671979.db2.gz VJKUFSVISAQTRV-NFQMXDRXSA-N 0 0 530.602 5.770 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001438839 551672278 /nfs/dbraw/zinc/67/22/78/551672278.db2.gz BFRICJSRTZMJJG-NGOKVRLYSA-N 0 0 545.657 5.879 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000001438831 551672293 /nfs/dbraw/zinc/67/22/93/551672293.db2.gz XPNNBINOIFWQSZ-VKGTZQKMSA-N 0 0 547.648 5.568 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001439741 551672382 /nfs/dbraw/zinc/67/23/82/551672382.db2.gz HNVAEUKDYVXWSU-PBBNMVCDSA-N 0 0 559.684 5.921 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001438879 551672406 /nfs/dbraw/zinc/67/24/06/551672406.db2.gz IVCDTBWXYJVTEU-IVCQMTBJSA-N 0 0 556.453 5.485 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001438840 551672428 /nfs/dbraw/zinc/67/24/28/551672428.db2.gz BFRICJSRTZMJJG-WTYVLRPYSA-N 0 0 545.657 5.879 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000001440044 551672818 /nfs/dbraw/zinc/67/28/18/551672818.db2.gz PNHIVORHQSRYNG-CBZJRKILSA-N 0 0 503.396 6.466 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000001440835 551672916 /nfs/dbraw/zinc/67/29/16/551672916.db2.gz KJIIWXCQRNKDGE-ROTAYESASA-N 0 0 554.643 7.119 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000001440834 551672983 /nfs/dbraw/zinc/67/29/83/551672983.db2.gz KJIIWXCQRNKDGE-JCOAXYOVSA-N 0 0 554.643 7.119 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(=O)C[C@H]2c1ccccc1 ZINC000001445906 551674068 /nfs/dbraw/zinc/67/40/68/551674068.db2.gz CEVWNRSHUOREEW-IBGZPJMESA-N 0 0 510.084 6.648 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(Br)cc2OC)cc1 ZINC000001448312 551674516 /nfs/dbraw/zinc/67/45/16/551674516.db2.gz LSMDKTCGZNSBQS-HPGBDJQBSA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449134 551674563 /nfs/dbraw/zinc/67/45/63/551674563.db2.gz CODFUXKYASYJKR-VWLOTQADSA-N 0 0 546.601 5.504 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000001450359 551675191 /nfs/dbraw/zinc/67/51/91/551675191.db2.gz BLDCWHPWDZRITG-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000001450358 551675248 /nfs/dbraw/zinc/67/52/48/551675248.db2.gz BLDCWHPWDZRITG-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000001450366 551675634 /nfs/dbraw/zinc/67/56/34/551675634.db2.gz ZTBVVHYOSLMZEG-VWLOTQADSA-N 0 0 530.602 5.804 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001453805 551676509 /nfs/dbraw/zinc/67/65/09/551676509.db2.gz KTRGCDSVAHFQKF-PBUKZNKTSA-N 0 0 590.676 6.935 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001456580 551676708 /nfs/dbraw/zinc/67/67/08/551676708.db2.gz RXWZHFFUSVLTJV-MRDQGFSESA-N 0 0 501.604 5.702 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000001458917 551677262 /nfs/dbraw/zinc/67/72/62/551677262.db2.gz CWXZNCVZZWQDDG-OGVWKLGRSA-N 0 0 530.624 6.918 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001458998 551677637 /nfs/dbraw/zinc/67/76/37/551677637.db2.gz MFXGBKBDLNCGPF-UVDDSOTQSA-N 0 0 520.585 6.511 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(O)cc1 ZINC000001460741 551678054 /nfs/dbraw/zinc/67/80/54/551678054.db2.gz DFUXZGWAKWMXHH-IIMAJNMQSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000001460790 551678576 /nfs/dbraw/zinc/67/85/76/551678576.db2.gz DLXHYIXDCJAJLK-UVDDSOTQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(O)c(OC)c2)cc1OC ZINC000001461007 551679020 /nfs/dbraw/zinc/67/90/20/551679020.db2.gz KXRBIGHBSVRNDD-WKRVVKTRSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460996 551679053 /nfs/dbraw/zinc/67/90/53/551679053.db2.gz GPYWOILXFVYHOE-WKRVVKTRSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cc(C)ccc2C)cc1 ZINC000001461012 551679062 /nfs/dbraw/zinc/67/90/62/551679062.db2.gz RANKIPPDYTVKSB-JPQMRUPTSA-N 0 0 552.671 6.330 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000001461019 551679229 /nfs/dbraw/zinc/67/92/29/551679229.db2.gz DCQWCDCJHQZLPW-SMSORMJASA-N 0 0 524.617 5.718 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461080 551679506 /nfs/dbraw/zinc/67/95/06/551679506.db2.gz VLFWGPCPJUMCRI-HEIROHQZSA-N 0 0 568.670 6.117 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461086 551679531 /nfs/dbraw/zinc/67/95/31/551679531.db2.gz TULDWSLHSPHYAQ-JPZYQRIQSA-N 0 0 554.643 5.727 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001467606 551680169 /nfs/dbraw/zinc/68/01/69/551680169.db2.gz IHCUQZRWYQBIEZ-QHCPKHFHSA-N 0 0 507.384 5.330 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001467872 551680202 /nfs/dbraw/zinc/68/02/02/551680202.db2.gz SGGAWTSJKHFBAW-CLYVBNDRSA-N 0 0 505.412 6.446 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479894 551681199 /nfs/dbraw/zinc/68/11/99/551681199.db2.gz OSQZCSPSGZANNQ-XMMPIXPASA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480658 551681875 /nfs/dbraw/zinc/68/18/75/551681875.db2.gz PRCGLGHBRZNZLX-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001480652 551681958 /nfs/dbraw/zinc/68/19/58/551681958.db2.gz XIEBFLYYRNZLRU-XMMPIXPASA-N 0 0 528.586 5.491 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480884 551682152 /nfs/dbraw/zinc/68/21/52/551682152.db2.gz FBXPOLRTSBGXLH-VWLOTQADSA-N 0 0 530.602 5.885 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1 ZINC000001481289 551682258 /nfs/dbraw/zinc/68/22/58/551682258.db2.gz ALZRZVLKSSIIHA-HXUWFJFHSA-N 0 0 545.231 5.077 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1 ZINC000001481288 551682307 /nfs/dbraw/zinc/68/23/07/551682307.db2.gz ALZRZVLKSSIIHA-FQEVSTJZSA-N 0 0 545.231 5.077 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482280 551682647 /nfs/dbraw/zinc/68/26/47/551682647.db2.gz VVNBBCURURQOMW-HSZRJFAPSA-N 0 0 551.020 6.067 50 30 KKEARN CCOc1ccc(N2C(=O)C(OC)=C(C(=O)c3ccccc3)[C@]2(Nc2cccc(C(F)(F)F)c2)C(=O)OC)cc1 ZINC000001758712 551694029 /nfs/dbraw/zinc/69/40/29/551694029.db2.gz CWIHZFICQZFICC-MUUNZHRXSA-N 0 0 554.521 5.216 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2CCCc1ccccc1 ZINC000001815571 551707569 /nfs/dbraw/zinc/70/75/69/551707569.db2.gz JNALBLNCEGMGON-AREMUKBSSA-N 0 0 552.515 5.855 50 30 KKEARN COc1ccc(C2=C(/C=N/c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000001825189 551709741 /nfs/dbraw/zinc/70/97/41/551709741.db2.gz DNBNSBSMCXYWFO-WXKOYPKHSA-N 0 0 518.613 7.309 50 30 KKEARN COc1ccc(-n2c3cc(OC(C)=O)ccc3c([N+](=O)[O-])c2CS/C(=N\c2ccccc2)Nc2ccccc2)cc1 ZINC000001836270 551712429 /nfs/dbraw/zinc/71/24/29/551712429.db2.gz HSJJTNFLUNWTEF-UHFFFAOYSA-N 0 0 566.639 7.506 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000001869629 551719184 /nfs/dbraw/zinc/71/91/84/551719184.db2.gz BAUORZAEEWIFDQ-JBASAIQMSA-N 0 0 551.286 7.655 50 30 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C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000001896235 551728127 /nfs/dbraw/zinc/72/81/27/551728127.db2.gz QLKNIQUURWBMBI-UHFFFAOYSA-N 0 0 591.711 6.696 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)nc2sc(-c3ccccc3)cc2c1=O ZINC000001896254 551728152 /nfs/dbraw/zinc/72/81/52/551728152.db2.gz NRWHMOUZXQNNSY-UHFFFAOYSA-N 0 0 587.748 6.947 50 30 KKEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001896842 551728301 /nfs/dbraw/zinc/72/83/01/551728301.db2.gz UUKRJNVQLUHKOB-HKBQPEDESA-N 0 0 580.603 5.755 50 30 KKEARN COc1ccc(CN2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001899522 551730242 /nfs/dbraw/zinc/73/02/42/551730242.db2.gz KFNQUTDRHVZSNJ-HHHXNRCGSA-N 0 0 576.493 5.944 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccc(Br)cc1 ZINC000001906364 551731865 /nfs/dbraw/zinc/73/18/65/551731865.db2.gz AZMALFGRNKIZDG-UHFFFAOYSA-N 0 0 560.930 6.325 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccc(Br)cc1 ZINC000001906371 551731868 /nfs/dbraw/zinc/73/18/68/551731868.db2.gz VGSIHDCNIGYSTF-UHFFFAOYSA-N 0 0 544.475 5.811 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906405 551732080 /nfs/dbraw/zinc/73/20/80/551732080.db2.gz WGIQTACRCYWNBI-UHFFFAOYSA-N 0 0 571.482 5.580 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1ccc(C)cc1 ZINC000001906464 551732091 /nfs/dbraw/zinc/73/20/91/551732091.db2.gz UZTFKLGGJJJCPK-UHFFFAOYSA-N 0 0 530.506 6.524 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000001906613 551732239 /nfs/dbraw/zinc/73/22/39/551732239.db2.gz QIICEMHIIFRTET-UHFFFAOYSA-N 0 0 529.613 5.852 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(OCC)cc1 ZINC000001906564 551732270 /nfs/dbraw/zinc/73/22/70/551732270.db2.gz MWCDOIYBKHWVRL-UHFFFAOYSA-N 0 0 570.538 6.070 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccc(OCC)cc1 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UHHLDNQPWKTDGZ-WCMJOSRZSA-N 0 0 558.806 8.810 50 30 KKEARN COc1cc(Br)cc(/C=C2\S/C(=N\c3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)c1O ZINC000002073594 551748076 /nfs/dbraw/zinc/74/80/76/551748076.db2.gz NRNYTFISFWOCDK-WGMZJXQFSA-N 0 0 537.479 7.206 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1OCC ZINC000002073748 551748242 /nfs/dbraw/zinc/74/82/42/551748242.db2.gz RCIIDGWWPSPYFP-HPTASCEQSA-N 0 0 563.517 7.838 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000002073999 551748512 /nfs/dbraw/zinc/74/85/12/551748512.db2.gz OZHOEESSFFYTHC-UZTOHYMASA-N 0 0 510.030 6.062 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002074407 551749272 /nfs/dbraw/zinc/74/92/72/551749272.db2.gz MMHWKGCDBGYZTM-DWACAAAGSA-N 0 0 533.621 5.195 50 30 KKEARN O=C(C1=C(c2ccccc2)N(c2ccccc2)C(=O)C1=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002077710 551750396 /nfs/dbraw/zinc/75/03/96/551750396.db2.gz RUHXNLDWRNEUSB-UHFFFAOYSA-N 0 0 503.601 7.830 50 30 KKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000002079020 551750850 /nfs/dbraw/zinc/75/08/50/551750850.db2.gz TZMCBILSYUURNZ-FBVYBBNNSA-N 0 0 521.657 7.129 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)CCCCC2 ZINC000002082126 551752202 /nfs/dbraw/zinc/75/22/02/551752202.db2.gz ANSJTCXUXAJRQR-UHFFFAOYSA-N 0 0 521.977 6.584 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000002082408 551752438 /nfs/dbraw/zinc/75/24/38/551752438.db2.gz IMKYFDLYCAPGDQ-YTTGMZPUSA-N 0 0 551.683 6.664 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000002082348 551752454 /nfs/dbraw/zinc/75/24/54/551752454.db2.gz WTUZZALNBWPPBR-WHQHWOLESA-N 0 0 502.636 6.646 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002082404 551752465 /nfs/dbraw/zinc/75/24/65/551752465.db2.gz HPYFYYJDXJYNPM-WJOKGBTCSA-N 0 0 537.656 6.492 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)(F)F)sc2C1 ZINC000002082382 551752466 /nfs/dbraw/zinc/75/24/66/551752466.db2.gz RVKJMPOMBPAHIT-MRXNPFEDSA-N 0 0 523.584 6.752 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)c3n2)cc1 ZINC000002082961 551752701 /nfs/dbraw/zinc/75/27/01/551752701.db2.gz VWTMMPBECUXHQJ-MRXNPFEDSA-N 0 0 553.610 6.760 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC ZINC000002087043 551756816 /nfs/dbraw/zinc/75/68/16/551756816.db2.gz GUAVPZPJTCDTLN-QKSAGWNYSA-N 0 0 551.506 7.509 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C3/c4ccccc4N(Cc4ccccc4)C3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002087135 551756824 /nfs/dbraw/zinc/75/68/24/551756824.db2.gz MPZOHWFEWAXXPZ-OFLIGOTJSA-N 0 0 543.692 7.537 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000002087635 551757053 /nfs/dbraw/zinc/75/70/53/551757053.db2.gz WQWRSMNMIPKWSJ-UHFFFAOYSA-N 0 0 587.770 8.361 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O ZINC000002087882 551757283 /nfs/dbraw/zinc/75/72/83/551757283.db2.gz KRRDWODSWILBTQ-UHFFFAOYSA-N 0 0 525.677 5.507 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000002089254 551758365 /nfs/dbraw/zinc/75/83/65/551758365.db2.gz VFQJYSKQWWUTNM-CJLVFECKSA-N 0 0 521.679 6.157 50 30 KKEARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC000002089717 551758524 /nfs/dbraw/zinc/75/85/24/551758524.db2.gz MWKISWKUSCOLNW-UHFFFAOYSA-N 0 0 511.246 5.325 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C3\C(=O)Nc4c3cc(C)cc4Br)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002093226 551759740 /nfs/dbraw/zinc/75/97/40/551759740.db2.gz RKHWMERSQGAURX-BRKSMKGBSA-N 0 0 546.490 7.013 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)c(Cl)cc1O ZINC000002094235 551760315 /nfs/dbraw/zinc/76/03/15/551760315.db2.gz MCYDPSZVBQIVMP-AKFKDSKESA-N 0 0 533.864 7.786 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1OCC ZINC000002096013 551761625 /nfs/dbraw/zinc/76/16/25/551761625.db2.gz HKLBIVLQOOIFGG-NRFANRHFSA-N 0 0 515.433 5.880 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002100421 551762262 /nfs/dbraw/zinc/76/22/62/551762262.db2.gz KDFSJBXMDUSNAH-HEIROHQZSA-N 0 0 539.632 7.084 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002105902 551763524 /nfs/dbraw/zinc/76/35/24/551763524.db2.gz VTNLXEFHPNNNID-RUZDIDTESA-N 0 0 560.872 6.221 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002106467 551764052 /nfs/dbraw/zinc/76/40/52/551764052.db2.gz OXYVPMNBTHNBLM-UHFFFAOYSA-N 0 0 508.650 5.365 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nc2sc3c(c2c1=O)CCCC3 ZINC000002106530 551764066 /nfs/dbraw/zinc/76/40/66/551764066.db2.gz LXPJLUZRZVTPQO-UHFFFAOYSA-N 0 0 543.736 5.371 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2scc(-c3cccs3)c2c1=O ZINC000002106552 551764393 /nfs/dbraw/zinc/76/43/93/551764393.db2.gz LIEKOMBPAXGZFP-UHFFFAOYSA-N 0 0 585.798 6.610 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C)cc3)C4=O)c2c1 ZINC000002107349 551764757 /nfs/dbraw/zinc/76/47/57/551764757.db2.gz ZTHFLSSPJTYMAX-NTFVMDSBSA-N 0 0 502.522 7.252 50 30 biogenic KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000002107693 551764939 /nfs/dbraw/zinc/76/49/39/551764939.db2.gz YXQIRMHCTPBNCS-HSZRJFAPSA-N 0 0 529.992 5.557 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(F)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108315 551765725 /nfs/dbraw/zinc/76/57/25/551765725.db2.gz FHJXCPQFSPAYEN-UHFFFAOYSA-N 0 0 507.590 7.601 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc([C@@H](C)CC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108332 551765741 /nfs/dbraw/zinc/76/57/41/551765741.db2.gz ADCLXWPUWXARPP-NRFANRHFSA-N 0 0 545.708 8.975 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108567 551766088 /nfs/dbraw/zinc/76/60/88/551766088.db2.gz QISIUGIBVMXUSU-JOCHJYFZSA-N 0 0 576.871 5.790 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1ccc(COc3ccc(Cl)cc3Cl)o1)CCCCCCCCCC2 ZINC000002112399 551768274 /nfs/dbraw/zinc/76/82/74/551768274.db2.gz AGDWVENWSBXPFD-UHFFFAOYSA-N 0 0 531.505 8.570 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Br)cc3)o1)N(C(C)=O)c1ccccc1-2 ZINC000002113652 551768684 /nfs/dbraw/zinc/76/86/84/551768684.db2.gz YXZDHKTZUXCONL-XMMPIXPASA-N 0 0 535.423 6.283 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(OCC)ccc1Br)N(C(C)=O)c1ccccc1-2 ZINC000002114029 551768701 /nfs/dbraw/zinc/76/87/01/551768701.db2.gz ZQBSYGKOQYLWRG-QFIPXVFZSA-N 0 0 513.417 5.422 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)ccc1OC)N(C(=O)CC)c1ccccc1-2 ZINC000002114340 551768871 /nfs/dbraw/zinc/76/88/71/551768871.db2.gz JSPYHSYGCPPMMO-QFIPXVFZSA-N 0 0 513.417 5.422 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000002123942 551771497 /nfs/dbraw/zinc/77/14/97/551771497.db2.gz OXGJSUXBFCTBFR-UHFFFAOYSA-N 0 0 591.148 6.690 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000002128010 551772241 /nfs/dbraw/zinc/77/22/41/551772241.db2.gz JZJMBVSUSZGIMY-UHFFFAOYSA-N 0 0 556.080 5.940 50 30 KKEARN C=CCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000002128239 551772261 /nfs/dbraw/zinc/77/22/61/551772261.db2.gz SCXFIQMRCBYWNH-LDADJPATSA-N 0 0 507.349 5.101 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000002137848 551773970 /nfs/dbraw/zinc/77/39/70/551773970.db2.gz NZAJJWKOIJPWTK-SSEXGKCCSA-N 0 0 558.556 8.869 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1OCc1c(F)cccc1Cl ZINC000002137831 551773993 /nfs/dbraw/zinc/77/39/93/551773993.db2.gz OLNHEUXPNZRMPC-HKBQPEDESA-N 0 0 512.024 8.521 50 30 KKEARN COc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002139532 551774618 /nfs/dbraw/zinc/77/46/18/551774618.db2.gz BDRQDYWHZNLDIR-FGGMNGQOSA-N 0 0 514.625 7.434 50 30 biogenic KKEARN C#CCOc1ccc2c(c1)c(-c1ccc(OCC)c(OCC)c1)c1n2CCc2cc(OCC)c(OCC)cc2-1 ZINC000002145882 551776116 /nfs/dbraw/zinc/77/61/16/551776116.db2.gz WVRAIABMMRFVCC-UHFFFAOYSA-N 0 0 525.645 7.138 50 30 biogenic KKEARN C#CCOc1cc2c(-c3ccc(OCC)c(OCC)c3)c3n(c2c2ccccc12)CCc1cc(OCC)c(OCC)cc1-3 ZINC000002146049 551776156 /nfs/dbraw/zinc/77/61/56/551776156.db2.gz HZBUPCOYQLDSHE-UHFFFAOYSA-N 0 0 575.705 8.291 50 30 biogenic KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc4ccccc4c3)c2C#N)cc(OC)c1OC ZINC000002150896 551778151 /nfs/dbraw/zinc/77/81/51/551778151.db2.gz OBZPIZDRXUWYQU-UHFFFAOYSA-N 0 0 561.663 7.197 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151356 551778355 /nfs/dbraw/zinc/77/83/55/551778355.db2.gz LUFUTYRHYDKCLX-AREMUKBSSA-N 0 0 513.037 6.649 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151948 551778753 /nfs/dbraw/zinc/77/87/53/551778753.db2.gz VRDKMITVBNTEFA-NDEPHWFRSA-N 0 0 583.641 5.902 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c(/N=C3\N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3)[nH]2)cc1 ZINC000002154173 551779392 /nfs/dbraw/zinc/77/93/92/551779392.db2.gz KFGZYLGWHUAMIC-WQBMDMGNSA-N 0 0 505.665 9.199 50 30 KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000002155100 551779552 /nfs/dbraw/zinc/77/95/52/551779552.db2.gz VHELUAKOFFYJPR-UHBFCERESA-N 0 0 516.549 7.464 50 30 biogenic KKEARN O=C1CN(/N=C/c2ccc(Cl)cc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002157826 551780079 /nfs/dbraw/zinc/78/00/79/551780079.db2.gz UUTUXOVPQLERGW-LNNUABJDSA-N 0 0 503.389 5.194 50 30 biogenic KKEARN O=C1/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002164213 551781566 /nfs/dbraw/zinc/78/15/66/551781566.db2.gz SPPRXFNIOIZVQS-HZVMBZBSSA-N 0 0 564.508 8.261 50 30 KKEARN COc1ccc(OCCn2cc(/C=C3\S/C(=N\c4ccccc4)N(C4CC4)C3=O)c3ccccc32)cc1 ZINC000002175885 551783226 /nfs/dbraw/zinc/78/32/26/551783226.db2.gz CGWATQUIIIYAST-AGJGHCONSA-N 0 0 509.631 6.495 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000002178388 551784509 /nfs/dbraw/zinc/78/45/09/551784509.db2.gz TXCRGHVLEDJVTC-UTAOYMJKSA-N 0 0 542.635 5.623 50 30 KKEARN CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000002179823 551784624 /nfs/dbraw/zinc/78/46/24/551784624.db2.gz BQYZAKDCSXTCIC-STKMKYKTSA-N 0 0 527.665 6.389 50 30 KKEARN Cc1c(/N=C/c2cc(Br)ccc2OCCOc2cccc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000002179827 551784658 /nfs/dbraw/zinc/78/46/58/551784658.db2.gz UJOJOBRAPPDDTI-RDRPBHBLSA-N 0 0 520.427 5.764 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(I)cc4)cc3s2)cc1 ZINC000002181378 551785083 /nfs/dbraw/zinc/78/50/83/551785083.db2.gz JRGNYFTVVLVMIO-VULFUBBASA-N 0 0 557.482 6.945 50 30 KKEARN CC(C)(C)c1cccc(/C=N/[C@H](c2ccccc2)[C@H](/N=C/c2cccc(C(C)(C)C)c2O)c2ccccc2)c1O ZINC000002182683 551785770 /nfs/dbraw/zinc/78/57/70/551785770.db2.gz XYIWAQOJYYYSJA-RQUCIVCISA-N 0 0 532.728 8.713 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC(C)=O ZINC000002186261 551787437 /nfs/dbraw/zinc/78/74/37/551787437.db2.gz FUDUBOIVGOQZJK-SANMLTNESA-N 0 0 520.423 6.846 50 30 KKEARN FC(F)(F)c1cccc(Oc2nc(Oc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)c3)n2)c1 ZINC000002187133 551787987 /nfs/dbraw/zinc/78/79/87/551787987.db2.gz IAJLBZWUJVKNOR-UHFFFAOYSA-N 0 0 561.360 8.305 50 30 KKEARN Cc1cccc(/N=C/c2cc(Br)c(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C ZINC000002186841 551787990 /nfs/dbraw/zinc/78/79/90/551787990.db2.gz LKMPSYBEKOSHLE-NVMFKLKSSA-N 0 0 558.226 7.106 50 30 KKEARN CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4c5ccccc5cc5ccccc54)cc3s2)cc1 ZINC000002188454 551788513 /nfs/dbraw/zinc/78/85/13/551788513.db2.gz AFNOIAIEUXMCJF-QXUDOOCXSA-N 0 0 516.735 9.943 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1 ZINC000002188625 551788762 /nfs/dbraw/zinc/78/87/62/551788762.db2.gz JNMJVSIKIYLBBM-HXUWFJFHSA-N 0 0 569.443 6.510 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002188623 551788773 /nfs/dbraw/zinc/78/87/73/551788773.db2.gz PRZUFNFXHBRXAW-HSZRJFAPSA-N 0 0 555.469 5.447 50 30 KKEARN CCOC(=O)COc1cc(Br)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188878 551788784 /nfs/dbraw/zinc/78/87/84/551788784.db2.gz NKTKSWJTMQXXHW-LJAQVGFWSA-N 0 0 564.476 6.862 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000002190004 551789458 /nfs/dbraw/zinc/78/94/58/551789458.db2.gz HGEVGUOJFKTXJY-UHFFFAOYSA-N 0 0 565.062 7.057 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002190011 551789463 /nfs/dbraw/zinc/78/94/63/551789463.db2.gz UDTBCNIATYQXOF-UHFFFAOYSA-N 0 0 585.524 7.990 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190927 551789739 /nfs/dbraw/zinc/78/97/39/551789739.db2.gz XONFDYSQCBYZTJ-NSYGIPOTSA-N 0 0 543.707 5.432 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190990 551789952 /nfs/dbraw/zinc/78/99/52/551789952.db2.gz VZFSULRMCJUPMN-HMILPKGGSA-N 0 0 567.704 5.379 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191783 551790140 /nfs/dbraw/zinc/79/01/40/551790140.db2.gz BHSHQFHLRUBLPQ-OWJWWREXSA-N 0 0 523.577 5.053 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191784 551790350 /nfs/dbraw/zinc/79/03/50/551790350.db2.gz BHSHQFHLRUBLPQ-MYYSRTQBSA-N 0 0 523.577 5.053 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C ZINC000002194586 551791777 /nfs/dbraw/zinc/79/17/77/551791777.db2.gz VECNXIILPFICLH-VEILYXNESA-N 0 0 537.710 7.122 50 30 KKEARN COc1cccc(C(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2OC)c1 ZINC000002199742 551792491 /nfs/dbraw/zinc/79/24/91/551792491.db2.gz GLWPMYZXGOWMQV-UHFFFAOYSA-N 0 0 530.617 6.323 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 ZINC000002206090 551793476 /nfs/dbraw/zinc/79/34/76/551793476.db2.gz FPHUZMLSEPIFJC-BVXNIFABSA-N 0 0 543.417 5.391 50 30 KKEARN COc1ccc(/C(=N/OC(=O)c2cc(Cl)ccc2SC)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000002230089 551797368 /nfs/dbraw/zinc/79/73/68/551797368.db2.gz OYNOXVPBLSITGE-ZXPTYKNPSA-N 0 0 553.036 6.254 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nc2sc3c(c2c1=O)CCCC3 ZINC000002234195 551798115 /nfs/dbraw/zinc/79/81/15/551798115.db2.gz SMZNGJRMNZEBLP-UHFFFAOYSA-N 0 0 528.703 6.381 50 30 KKEARN Cc1ccc(N2C(=O)[C@@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002234173 551798195 /nfs/dbraw/zinc/79/81/95/551798195.db2.gz MNVJUCSUWQTOSM-RUZDIDTESA-N 0 0 504.936 5.678 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002239806 551799028 /nfs/dbraw/zinc/79/90/28/551799028.db2.gz DFJNELVEFBRLNU-UHFFFAOYSA-N 0 0 517.360 6.100 50 30 KKEARN COc1ccc(CCNC(=O)c2c(N)n(/N=C/c3ccc(Cl)c(Cl)c3)c3nc4ccccc4nc32)cc1 ZINC000002247305 551800279 /nfs/dbraw/zinc/80/02/79/551800279.db2.gz YGKMSVMZXKHFLT-VWJSQJICSA-N 0 0 533.419 5.337 50 30 KKEARN COc1ccccc1C=CC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccc(F)cc2)N1 ZINC000002250282 551801569 /nfs/dbraw/zinc/80/15/69/551801569.db2.gz ZTJJYQNEZHCBJW-WIJYMUHASA-N 0 0 501.949 5.786 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002257784 551803252 /nfs/dbraw/zinc/80/32/52/551803252.db2.gz QSOMOAQVQDGGMI-UHFFFAOYSA-N 0 0 501.652 5.594 50 30 KKEARN C[C@H]1CN=C(N(C(=O)NC(Oc2ccccc2)(C(F)(F)F)C(F)(F)F)c2ccc(F)c(Cl)c2)S1 ZINC000002270335 551804937 /nfs/dbraw/zinc/80/49/37/551804937.db2.gz ULZMPUWIPOWYFW-NSHDSACASA-N 0 0 529.865 6.386 50 30 KKEARN CCOc1ccc(C2=C(/C=N/c3ccc(NC(C)=O)cc3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002298578 551807418 /nfs/dbraw/zinc/80/74/18/551807418.db2.gz ROLIDKOHCIYPMJ-FMLCXWAVSA-N 0 0 506.577 7.521 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002300435 551807831 /nfs/dbraw/zinc/80/78/31/551807831.db2.gz MEVZWYVDKJNWLP-KRWDZBQOSA-N 0 0 502.333 5.388 50 30 KKEARN COc1ccc(C2=C(/C=N/c3ccc(NC(C)=O)cc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002282938 552087298 /nfs/dbraw/zinc/08/72/98/552087298.db2.gz UTIOATQHHOGLQY-IVYIFMIMSA-N 0 0 504.586 7.000 50 30 KKEARN O=c1c(C=[NH+]CCC(c2ccccc2)c2ccccc2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000002286063 552087499 /nfs/dbraw/zinc/08/74/99/552087499.db2.gz PKABGDMOAYAOIH-WEMUVCOSSA-N 0 0 502.574 6.382 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CO/N=C/c1ccccc1O ZINC000002285623 552087538 /nfs/dbraw/zinc/08/75/38/552087538.db2.gz UZYHIWNDHGVEGO-BHGWPJFGSA-N 0 0 503.374 5.049 50 30 KKEARN Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)[C@@]4(F)OC(F)(F)C(F)(F)C4(F)F)cc3)sc2c1 ZINC000002295158 552089197 /nfs/dbraw/zinc/08/91/97/552089197.db2.gz HAZYMBLRYFPVKA-LJQANCHMSA-N 0 0 514.369 6.405 50 30 KKEARN C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccc(Br)cc1)n3CCCC2 ZINC000002304487 552090139 /nfs/dbraw/zinc/09/01/39/552090139.db2.gz YWDUWGKCNJEEGX-UHFFFAOYSA-N 0 0 520.496 6.633 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000002325115 552094931 /nfs/dbraw/zinc/09/49/31/552094931.db2.gz DWABQSZRAMWTSP-QHCPKHFHSA-N 0 0 500.963 6.371 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)n1-c1ccccc1)CCCC4)CCCC2 ZINC000002335468 552096792 /nfs/dbraw/zinc/09/67/92/552096792.db2.gz XOWKMJVMHGVQCG-UHFFFAOYSA-N 0 0 532.716 5.869 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000002335364 552096800 /nfs/dbraw/zinc/09/68/00/552096800.db2.gz PXYPWZFANWCBEB-XMMPIXPASA-N 0 0 508.899 5.196 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2c(Cl)cc(/C=N/NC(=S)Nc3ccccc3)cc2Cl)cc1 ZINC000002356753 552101287 /nfs/dbraw/zinc/10/12/87/552101287.db2.gz NDQCSMWIAQVTQM-STBIYBPSSA-N 0 0 516.494 7.069 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000002357701 552101603 /nfs/dbraw/zinc/10/16/03/552101603.db2.gz BCVPMQSGIUGYGQ-LARAJFFGSA-N 0 0 513.391 5.508 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002360539 552102456 /nfs/dbraw/zinc/10/24/56/552102456.db2.gz YNHHWQINYASXKB-GIBNYFNHSA-N 0 0 513.937 5.182 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)sc1c2CCCC1 ZINC000002368477 552104543 /nfs/dbraw/zinc/10/45/43/552104543.db2.gz GFKAJOSHDSOAJA-UHFFFAOYSA-N 0 0 547.546 6.291 50 30 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COc1ccc([C@@H]2c3c4nc(-c5cccc6ccccc65)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410550 552113472 /nfs/dbraw/zinc/11/34/72/552113472.db2.gz GQTPXTMIKTZPAQ-SANMLTNESA-N 0 0 532.600 6.129 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410855 552113757 /nfs/dbraw/zinc/11/37/57/552113757.db2.gz QQDWCNITJCPEPN-AREMUKBSSA-N 0 0 548.599 5.835 50 30 KKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002413499 552114002 /nfs/dbraw/zinc/11/40/02/552114002.db2.gz CXEKRNOMIXZXAU-OAQYLSRUSA-N 0 0 523.408 5.943 50 30 KKEARN Cc1c(C)c(C(=O)OCc2ccccc2)[nH]c1/C=C/C(=O)/C=C/c1[nH]c(C(=O)OCc2ccccc2)c(C)c1C ZINC000002519630 552127076 /nfs/dbraw/zinc/12/70/76/552127076.db2.gz LEMFZUFFJOYLON-YTEMWHBBSA-N 0 0 536.628 6.586 50 30 KKEARN O=C(Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000002529704 552127414 /nfs/dbraw/zinc/12/74/14/552127414.db2.gz LXZFROQKYOCTLD-OCSSWDANSA-N 0 0 569.422 5.744 50 30 KKEARN 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CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002801504 552194702 /nfs/dbraw/zinc/19/47/02/552194702.db2.gz JIKZQIGUGFJSML-PPHZAIPVSA-N 0 0 510.461 7.231 50 30 KKEARN CCOC(=O)C=C1CC(=O)N=C(N=C(NC(=O)c2ccc(-c3ccccc3)cc2)Nc2cccc(Cl)c2C)N1 ZINC000002853266 552201685 /nfs/dbraw/zinc/20/16/85/552201685.db2.gz WHNWBASJEYHRQY-UHFFFAOYSA-N 0 0 544.011 5.034 50 30 KKEARN Cn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002854056 552201892 /nfs/dbraw/zinc/20/18/92/552201892.db2.gz QQMGLKUZNANIQE-UHFFFAOYSA-N 0 0 538.551 6.098 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000002860408 552203798 /nfs/dbraw/zinc/20/37/98/552203798.db2.gz XDFTYIUWTNVBMD-YKGWIAGDSA-N 0 0 553.615 5.921 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000002864353 552204914 /nfs/dbraw/zinc/20/49/14/552204914.db2.gz XXIUIUFNGUFWHP-WKRVVKTRSA-N 0 0 598.696 6.038 50 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CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000002923187 552221933 /nfs/dbraw/zinc/22/19/33/552221933.db2.gz ODHUDXNJUNOTKF-DFBJGRDBSA-N 0 0 510.428 5.773 50 30 KKEARN Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1C ZINC000002923693 552222147 /nfs/dbraw/zinc/22/21/47/552222147.db2.gz XSZCHYZNPIITEC-CLIDGEQKSA-N 0 0 566.653 5.139 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002924212 552222371 /nfs/dbraw/zinc/22/23/71/552222371.db2.gz AOTWQGYATWFGEY-MUAVYFROSA-N 0 0 558.472 6.433 50 30 KKEARN C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C#C)c4)C5=O)cc3C2=O)c1 ZINC000002924860 552222378 /nfs/dbraw/zinc/22/23/78/552222378.db2.gz KFJWFGVSFKKIMW-UHFFFAOYSA-N 0 0 508.489 5.043 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000002925021 552222520 /nfs/dbraw/zinc/22/25/20/552222520.db2.gz UENIFCVIKGRYMQ-SMSORMJASA-N 0 0 564.078 6.511 50 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/nfs/dbraw/zinc/27/32/08/552273208.db2.gz ABCZKSLYYZBMTM-BLCKFSMSSA-N 0 0 506.631 6.333 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000003043004 552273620 /nfs/dbraw/zinc/27/36/20/552273620.db2.gz AMJMNKHJFMGPPJ-FAJYDZGRSA-N 0 0 551.466 5.172 50 30 KKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccc(Br)cc21 ZINC000003044054 552274867 /nfs/dbraw/zinc/27/48/67/552274867.db2.gz ULFYDLHWWLNOGU-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccc(Br)cc32)c1 ZINC000003044047 552274868 /nfs/dbraw/zinc/27/48/68/552274868.db2.gz AMZIORPIVHXCOI-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccc(Br)cc21 ZINC000003044075 552274906 /nfs/dbraw/zinc/27/49/06/552274906.db2.gz KZZPPEISAKTRLV-IADYIPOJSA-N 0 0 561.864 5.796 50 30 KKEARN Cc1cc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c(C)c1 ZINC000003044328 552275414 /nfs/dbraw/zinc/27/54/14/552275414.db2.gz 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50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000004046883 552431124 /nfs/dbraw/zinc/43/11/24/552431124.db2.gz VZYHJVWPCSXMQG-FUFSCUOVSA-N 0 0 502.655 5.474 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000004048089 552431371 /nfs/dbraw/zinc/43/13/71/552431371.db2.gz FDIIONJIMGJBCA-QABMSTFYSA-N 0 0 516.682 6.102 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004048254 552431683 /nfs/dbraw/zinc/43/16/83/552431683.db2.gz MQQAONJHMRCYSC-DFQBUENJSA-N 0 0 501.633 6.350 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000004064274 552431890 /nfs/dbraw/zinc/43/18/90/552431890.db2.gz SPARDBSDRJSHNK-FKHSFJFNSA-N 0 0 531.656 7.501 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000004064395 552431954 /nfs/dbraw/zinc/43/19/54/552431954.db2.gz ZWDJBEVMVWMRJZ-CRYYWNKWSA-N 0 0 505.412 6.446 50 30 KKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(Br)cc2)N(C2CCCCC2)C1=O ZINC000004065380 552432140 /nfs/dbraw/zinc/43/21/40/552432140.db2.gz NHIPSUPOFYUDDS-JXAXBCJLSA-N 0 0 500.487 6.756 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067573 552432928 /nfs/dbraw/zinc/43/29/28/552432928.db2.gz SMBAHXCBDFRXKJ-HJPURHCSSA-N 0 0 512.400 5.088 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000004067770 552432977 /nfs/dbraw/zinc/43/29/77/552432977.db2.gz RSUQDEWSBQLXBU-XMMPIXPASA-N 0 0 542.426 5.273 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000004067906 552433237 /nfs/dbraw/zinc/43/32/37/552433237.db2.gz QDQPXRYDOBNTDB-KMRXNPHXSA-N 0 0 505.611 5.416 50 30 KKEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004080465 552433402 /nfs/dbraw/zinc/43/34/02/552433402.db2.gz MPBMMLRCOQIGOS-FLASPHMUSA-N 0 0 516.597 6.974 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2C2CCCCC2)c(C)c1 ZINC000004081435 552433690 /nfs/dbraw/zinc/43/36/90/552433690.db2.gz JIQLETJETPTQDC-GROPNIIDSA-N 0 0 536.767 7.157 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000004080883 552433693 /nfs/dbraw/zinc/43/36/93/552433693.db2.gz LOASNIOZBWYJBS-QCBOHVIISA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000004082227 552433877 /nfs/dbraw/zinc/43/38/77/552433877.db2.gz NEJJMKHQQYDKKH-XDCSYDRFSA-N 0 0 532.640 7.262 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 ZINC000004082084 552433879 /nfs/dbraw/zinc/43/38/79/552433879.db2.gz CRXYDXTUOZGCOF-LFVJCYFKSA-N 0 0 537.483 5.585 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccc(Cl)cc5N4C)C(=O)N3c3cccc(C)c3)cc2s1 ZINC000004088794 552434367 /nfs/dbraw/zinc/43/43/67/552434367.db2.gz YIZAZZBRBWCRMC-YXDHUCFLSA-N 0 0 535.119 7.745 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2CCc2ccccc2)c(C)c1 ZINC000004089386 552434682 /nfs/dbraw/zinc/43/46/82/552434682.db2.gz BJSNUSFQUSKHBS-XTUVAWEBSA-N 0 0 528.747 7.058 50 30 KKEARN CC(=O)c1ccc(N=C2S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004091126 552435136 /nfs/dbraw/zinc/43/51/36/552435136.db2.gz CSDWQZNXLQQEJW-NPGLLJSBSA-N 0 0 520.079 6.759 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1Cl ZINC000004091155 552435379 /nfs/dbraw/zinc/43/53/79/552435379.db2.gz RSRHMPBXJHXRER-YXDHUCFLSA-N 0 0 526.514 7.519 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc(C(C)=O)cc3)N(c3ccc(F)cc3)C1=O)S2 ZINC000004106379 552436891 /nfs/dbraw/zinc/43/68/91/552436891.db2.gz OJPNOSIFDGATNI-CNPBBGJZSA-N 0 0 505.596 6.216 50 30 KKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc(C(F)(F)F)c2)N(c2ccc(F)cc2)C1=O ZINC000004105655 552436931 /nfs/dbraw/zinc/43/69/31/552436931.db2.gz BDZAKHPFYQHJJT-UANQVASZSA-N 0 0 501.530 7.023 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C2CCCCC2)cc1 ZINC000004108279 552437195 /nfs/dbraw/zinc/43/71/95/552437195.db2.gz HVCWCDZURAXPOA-NPGLLJSBSA-N 0 0 527.159 7.493 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004111885 552438222 /nfs/dbraw/zinc/43/82/22/552438222.db2.gz USTWDZSWAPFALD-NGQVCNFZSA-N 0 0 528.048 6.632 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112681 552438369 /nfs/dbraw/zinc/43/83/69/552438369.db2.gz IMTZAABVRCJMTN-QXNWPYRLSA-N 0 0 529.677 6.722 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1 ZINC000004113371 552438708 /nfs/dbraw/zinc/43/87/08/552438708.db2.gz WNQXQPAMVXFPMJ-UXHLAJHPSA-N 0 0 540.499 6.184 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4nc(C)sc4c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000004124809 552441873 /nfs/dbraw/zinc/44/18/73/552441873.db2.gz ALJPPAAHPDUGAE-CNPBBGJZSA-N 0 0 532.672 6.498 50 30 KKEARN O=C(Nc1cccc(C#C/C=C/c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004142028 552442351 /nfs/dbraw/zinc/44/23/51/552442351.db2.gz FMLBNCPVNNSVGE-ORCRQEGFSA-N 0 0 532.512 6.073 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3Br)c2)c1O ZINC000004181464 552446616 /nfs/dbraw/zinc/44/66/16/552446616.db2.gz BPYAQJOKAIULHI-OPEKNORGSA-N 0 0 583.074 6.691 50 30 KKEARN N#Cc1ccc(Oc2cccc(Oc3ccc(C#N)c(C#N)c3)c2Oc2ccc(C#N)c(C#N)c2)cc1C#N ZINC000004256522 552452915 /nfs/dbraw/zinc/45/29/15/552452915.db2.gz MFLZQJNCJGRBDB-UHFFFAOYSA-N 0 0 504.465 6.294 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000004391410 552458542 /nfs/dbraw/zinc/45/85/42/552458542.db2.gz TYOXGFXUNWOYIQ-JOCHJYFZSA-N 0 0 567.465 6.210 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000004433990 552461036 /nfs/dbraw/zinc/46/10/36/552461036.db2.gz NUEHIRZXTCZPQD-HKBQPEDESA-N 0 0 538.485 8.491 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000004531526 552463689 /nfs/dbraw/zinc/46/36/89/552463689.db2.gz PWWBCLJSKVOECF-CDUMQCFASA-N 0 0 667.416 9.031 50 30 KKEARN N#C[C@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000004546519 552465667 /nfs/dbraw/zinc/46/56/67/552465667.db2.gz XYOADJBZBNEWND-XZWHSSHBSA-N 0 0 504.427 8.419 50 30 KKEARN CCOC(=O)N1C/C(=C\c2c3ccccc3cc3ccccc32)C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C1 ZINC000004547546 552465782 /nfs/dbraw/zinc/46/57/82/552465782.db2.gz PDJFHSOITXHVCC-VFIVCBTMSA-N 0 0 547.654 8.808 50 30 KKEARN O=C(/C=C\c1ccc(Br)s1)c1cncc(C(=O)/C=C\c2ccc(Br)s2)c1 ZINC000004578022 552468915 /nfs/dbraw/zinc/46/89/15/552468915.db2.gz SGCXXNMUGOAFLC-IOBHVTPZSA-N 0 0 509.244 6.522 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1 ZINC000004635176 552469492 /nfs/dbraw/zinc/46/94/92/552469492.db2.gz UFNXSJWHMGAORL-DEOSSOPVSA-N 0 0 580.276 6.514 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004635183 552469505 /nfs/dbraw/zinc/46/95/05/552469505.db2.gz KPRKSUUYBNLQDV-XMMPIXPASA-N 0 0 525.819 6.949 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 ZINC000004635165 552469536 /nfs/dbraw/zinc/46/95/36/552469536.db2.gz QANKBPJWWMOPAM-XMMPIXPASA-N 0 0 535.825 6.405 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000004636416 552469805 /nfs/dbraw/zinc/46/98/05/552469805.db2.gz LCLRKFIIKFDANZ-PMERELPUSA-N 0 0 534.612 6.748 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004636345 552469885 /nfs/dbraw/zinc/46/98/85/552469885.db2.gz VSBOCUSBQMPYBY-PPHZAIPVSA-N 0 0 520.526 6.845 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=CN[C@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004641143 552469979 /nfs/dbraw/zinc/46/99/79/552469979.db2.gz BIRIHEBCKOWNSO-LOSJGSFVSA-N 0 0 517.994 6.575 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000004641999 552470344 /nfs/dbraw/zinc/47/03/44/552470344.db2.gz YZVUUAFCXMKXRH-MYUZEXMDSA-N 0 0 538.669 7.009 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000004641599 552470355 /nfs/dbraw/zinc/47/03/55/552470355.db2.gz WKVQQFABGIZAGS-AREMUKBSSA-N 0 0 539.613 6.290 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000004641598 552470424 /nfs/dbraw/zinc/47/04/24/552470424.db2.gz WKVQQFABGIZAGS-SANMLTNESA-N 0 0 539.613 6.290 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000004653098 552471042 /nfs/dbraw/zinc/47/10/42/552471042.db2.gz HJBKGPAPNQDLLT-YTMVLYRLSA-N 0 0 568.651 5.455 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000004649994 552471097 /nfs/dbraw/zinc/47/10/97/552471097.db2.gz YLUKYYTVCSATGD-LJAQVGFWSA-N 0 0 539.584 6.050 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788159 552482719 /nfs/dbraw/zinc/48/27/19/552482719.db2.gz IPTMHZIJYBNUBZ-JKFCTSDTSA-N 0 0 579.741 6.859 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000004788129 552482728 /nfs/dbraw/zinc/48/27/28/552482728.db2.gz UMNQDRFZNBAWBB-GPNASLBKSA-N 0 0 551.687 6.079 50 30 KKEARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004793553 552485229 /nfs/dbraw/zinc/48/52/29/552485229.db2.gz FENGZFQXWPSJTE-OAQYLSRUSA-N 0 0 536.495 6.334 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005355619 552498861 /nfs/dbraw/zinc/49/88/61/552498861.db2.gz ZFIFLOYWKRSBTQ-XMMPIXPASA-N 0 0 562.644 5.683 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000005431916 552501643 /nfs/dbraw/zinc/50/16/43/552501643.db2.gz MVTQTQOWBAGXBC-QNLPTKCRSA-N 0 0 551.687 6.079 50 30 KKEARN CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005918159 552511746 /nfs/dbraw/zinc/51/17/46/552511746.db2.gz KOAXNROWLIWZOI-QFIPXVFZSA-N 0 0 522.468 6.302 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005917888 552511751 /nfs/dbraw/zinc/51/17/51/552511751.db2.gz ABEVQNBAKIDVEZ-HHHXNRCGSA-N 0 0 584.141 7.495 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918802 552512061 /nfs/dbraw/zinc/51/20/61/552512061.db2.gz BDPQJGLNIAYRPN-XMMPIXPASA-N 0 0 540.410 6.008 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000005919216 552512365 /nfs/dbraw/zinc/51/23/65/552512365.db2.gz BXTXINXLYAHZEE-JOCHJYFZSA-N 0 0 536.606 5.127 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005919074 552512406 /nfs/dbraw/zinc/51/24/06/552512406.db2.gz SXVICOHQOOEVAE-DEOSSOPVSA-N 0 0 548.661 6.242 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc(Br)c1OC(C)C ZINC000005920884 552512670 /nfs/dbraw/zinc/51/26/70/552512670.db2.gz AFWXNDXHJUMHRJ-AREMUKBSSA-N 0 0 546.465 7.157 50 30 KKEARN C=CCNC(=O)c1c2nc3ccccc3nc2n(-c2ccc(Cl)c(Cl)c2)c1NC(=O)c1ccccc1 ZINC000005943752 552514477 /nfs/dbraw/zinc/51/44/77/552514477.db2.gz RQRWWIZEVOIXFF-UHFFFAOYSA-N 0 0 516.388 6.049 50 30 KKEARN CC(C)(C)c1cc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(C(C)(C)C)c1O ZINC000005944324 552514642 /nfs/dbraw/zinc/51/46/42/552514642.db2.gz DHTWFVCVWNPDOB-WYOOIXGGSA-N 0 0 580.744 8.437 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)C3)[C@H]2c2ccccc2Cl)cc1 ZINC000005944506 552514670 /nfs/dbraw/zinc/51/46/70/552514670.db2.gz HHHBYMJZJYDXGC-YQPGIBNTSA-N 0 0 591.151 8.861 50 30 KKEARN CC(C)(C)c1cc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(C(C)(C)C)c1O ZINC000005944326 552514677 /nfs/dbraw/zinc/51/46/77/552514677.db2.gz DHTWFVCVWNPDOB-NHRFMIRVSA-N 0 0 580.744 8.437 50 30 KKEARN COc1nc(Oc2cccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c2)nc(N2CCCCC2)n1 ZINC000006077207 552528433 /nfs/dbraw/zinc/52/84/33/552528433.db2.gz XHKFZNXFXFMHBF-SSEXGKCCSA-N 0 0 561.686 7.126 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006077195 552528461 /nfs/dbraw/zinc/52/84/61/552528461.db2.gz VEHHJBHZRWPMCV-WJOKGBTCSA-N 0 0 588.582 8.877 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006077138 552528504 /nfs/dbraw/zinc/52/85/04/552528504.db2.gz YLFAPWMCPIATAD-XIFFEERXSA-N 0 0 517.072 8.806 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000006078506 552529867 /nfs/dbraw/zinc/52/98/67/552529867.db2.gz 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CCOC(=O)C1=C(NC(=O)c2ccc(OC)cc2)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000008400744 553005458 /nfs/dbraw/zinc/00/54/58/553005458.db2.gz FMHUSMGHWDRDFX-CFRMEGHHSA-N 0 0 618.922 7.096 50 30 KKEARN Cc1ccccc1Nc1nc(N=NC(C)c2ccc(Br)cc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008402929 553006389 /nfs/dbraw/zinc/00/63/89/553006389.db2.gz YTVMSBGIWJQTND-WCMJOSRZSA-N 0 0 533.390 6.174 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000008405385 553006937 /nfs/dbraw/zinc/00/69/37/553006937.db2.gz BNUSXBSOMXEZHQ-OTDFFUQNSA-N 0 0 527.580 6.111 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000008406716 553007429 /nfs/dbraw/zinc/00/74/29/553007429.db2.gz JIUCMOFQPPNNPR-GUINCHKDSA-N 0 0 519.000 6.302 50 30 KKEARN C#CCOc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccc(C)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000008407212 553007617 /nfs/dbraw/zinc/00/76/17/553007617.db2.gz HNYLYFHRGZEXRY-XICOUIIWSA-N 0 0 783.456 7.050 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008407062 553007703 /nfs/dbraw/zinc/00/77/03/553007703.db2.gz WPWDPCCMGGGHKV-JRZNSJKLSA-N 0 0 652.630 8.715 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Br)cc1 ZINC000008407225 553007862 /nfs/dbraw/zinc/00/78/62/553007862.db2.gz QPGWSBWJJHYJIC-NDZAJKAJSA-N 0 0 580.531 5.648 50 30 KKEARN Cc1ccccc1OCCn1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c2ccccc21 ZINC000008407584 553008571 /nfs/dbraw/zinc/00/85/71/553008571.db2.gz KKXRZPOGGRUNKO-NJZRLIGZSA-N 0 0 509.658 5.465 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCc1cccc2ccccc21 ZINC000008407840 553009061 /nfs/dbraw/zinc/00/90/61/553009061.db2.gz XJYZHFCCRDUXFX-RUMWWMSVSA-N 0 0 522.653 5.864 50 30 KKEARN CCOC(=O)Cc1csc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)n1 ZINC000008412192 553010031 /nfs/dbraw/zinc/01/00/31/553010031.db2.gz CWSHOJUSWTVWAV-UHFFFAOYSA-N 0 0 604.710 5.606 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 ZINC000008413231 553010074 /nfs/dbraw/zinc/01/00/74/553010074.db2.gz GEKMZCFRULZIGM-FQEVSTJZSA-N 0 0 517.767 5.012 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008413629 553010343 /nfs/dbraw/zinc/01/03/43/553010343.db2.gz BDZCZYSWNMJDTI-LJAQVGFWSA-N 0 0 627.694 6.238 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000008415001 553010856 /nfs/dbraw/zinc/01/08/56/553010856.db2.gz QSFPYBCXYKKPAJ-XHCCPWGMSA-N 0 0 500.545 5.974 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cc(C)sc1C ZINC000008415676 553011002 /nfs/dbraw/zinc/01/10/02/553011002.db2.gz FLTDAPJTDHUDJF-FTBPSBKWSA-N 0 0 523.651 5.087 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000008416222 553012008 /nfs/dbraw/zinc/01/20/08/553012008.db2.gz LBSUJCWCRKFQPL-WVQWTBLQSA-N 0 0 557.565 5.428 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000008416193 553012046 /nfs/dbraw/zinc/01/20/46/553012046.db2.gz XPOFCAYEHKVUCN-FTBPSBKWSA-N 0 0 568.464 5.172 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000008424467 553013686 /nfs/dbraw/zinc/01/36/86/553013686.db2.gz IVTACEYAUFNDHX-HTCWZNLXSA-N 0 0 698.433 6.050 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](C(=O)OCC)[C@H](OC(=O)CCCCCCCCCCC)c1ccccc1 ZINC000008425406 553015472 /nfs/dbraw/zinc/01/54/72/553015472.db2.gz OKUWXYARPJNDGU-KKLWWLSJSA-N 0 0 573.859 9.161 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](C(=O)OCC)[C@@H](OC(=O)CCCCCCCCCCC)c1ccccc1 ZINC000008425407 553015483 /nfs/dbraw/zinc/01/54/83/553015483.db2.gz OKUWXYARPJNDGU-HEVIKAOCSA-N 0 0 573.859 9.161 50 30 KKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCCCCCC ZINC000008425694 553016252 /nfs/dbraw/zinc/01/62/52/553016252.db2.gz XICRPZCFHRTBTL-UHFFFAOYSA-N 0 0 534.855 8.357 50 30 KKEARN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=c3sc4n(c3=O)[C@@H](c3c(OC)ccc5ccccc53)C(C(C)=O)=C(C)N=4)c1C)CCCC2 ZINC000008425795 553016545 /nfs/dbraw/zinc/01/65/45/553016545.db2.gz BYSXWVJIVSUMBX-UAYLKEQNSA-N 0 0 679.864 6.511 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2C#N)cc1OC ZINC000008426254 553017953 /nfs/dbraw/zinc/01/79/53/553017953.db2.gz ILBCKXGBLVQBGB-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3-c3ccccc3)c2C#N)cc1 ZINC000008426525 553018607 /nfs/dbraw/zinc/01/86/07/553018607.db2.gz KLYAEAFLKRHQQI-UHFFFAOYSA-N 0 0 527.649 7.694 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000008426579 553018942 /nfs/dbraw/zinc/01/89/42/553018942.db2.gz VVQLRPXJSJUOME-UHFFFAOYSA-N 0 0 503.556 5.950 50 30 KKEARN Cc1ccc(C)c(S(=O)(=O)NN=C2CC(C)(C)N(S(=O)(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C2)c1 ZINC000008426914 553019100 /nfs/dbraw/zinc/01/91/00/553019100.db2.gz YLVMCCYNZZOROS-UHFFFAOYSA-N 0 0 533.760 5.277 50 30 KKEARN CCn1c2ccccc2nc1NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000008427033 553019395 /nfs/dbraw/zinc/01/93/95/553019395.db2.gz NLEKAYFMLSKJDY-WCQYABFASA-N 0 0 639.262 6.867 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000008430239 553021360 /nfs/dbraw/zinc/02/13/60/553021360.db2.gz AKCFXRRKXSYBFF-CBZJRKILSA-N 0 0 517.412 7.388 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008430409 553021512 /nfs/dbraw/zinc/02/15/12/553021512.db2.gz ZEUSCDACFHHCSM-WWOZWPLTSA-N 0 0 530.621 6.099 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC ZINC000008430451 553021525 /nfs/dbraw/zinc/02/15/25/553021525.db2.gz DZTUGPLPGJJCJO-ZWVRTZEQSA-N 0 0 562.666 7.271 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008430605 553022052 /nfs/dbraw/zinc/02/20/52/553022052.db2.gz SZNPKIRRXIOMHB-KWMCUTETSA-N 0 0 509.433 7.380 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000008430981 553022178 /nfs/dbraw/zinc/02/21/78/553022178.db2.gz AZILRVYKSGMKSM-HHHXNRCGSA-N 0 0 531.450 6.915 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008431121 553022400 /nfs/dbraw/zinc/02/24/00/553022400.db2.gz DSOCIAZTFLTVEI-RTYGVXFXSA-N 0 0 825.208 10.556 50 30 KKEARN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008431282 553022716 /nfs/dbraw/zinc/02/27/16/553022716.db2.gz KHTBQXMEHFNCNM-BTNCXKIJSA-N 0 0 512.694 6.726 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1OC ZINC000008431389 553022886 /nfs/dbraw/zinc/02/28/86/553022886.db2.gz SRBMYRYQKODLLK-NDEPHWFRSA-N 0 0 561.476 6.923 50 30 KKEARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000008431514 553023438 /nfs/dbraw/zinc/02/34/38/553023438.db2.gz CTKYMRBYNSQVIF-PMERELPUSA-N 0 0 515.053 7.124 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3/c4cc(Br)cc(Br)c4N(C)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000008431902 553024402 /nfs/dbraw/zinc/02/44/02/553024402.db2.gz NVVQZFGVLFMZRE-DTODCRBXSA-N 0 0 625.386 7.600 50 30 KKEARN C#CCOc1ccc(Br)c([C@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccc(OCC=C)cc2)c1 ZINC000008431974 553024668 /nfs/dbraw/zinc/02/46/68/553024668.db2.gz PMNRHKOLQFXVEP-VWLOTQADSA-N 0 0 658.290 5.542 50 30 KKEARN CC(=O)O[C@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)N6CCCCCC6)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000008431917 553024702 /nfs/dbraw/zinc/02/47/02/553024702.db2.gz PWBAWFYUOJVDSJ-RXBNCCETSA-N 0 0 593.893 8.301 50 30 KKEARN CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008432099 553025159 /nfs/dbraw/zinc/02/51/59/553025159.db2.gz LHELGHRABIDSDF-YTTGMZPUSA-N 0 0 508.662 7.251 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4F)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432177 553025413 /nfs/dbraw/zinc/02/54/13/553025413.db2.gz QPHBDEROVRRNTM-QNLPTKCRSA-N 0 0 502.589 7.349 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000008432334 553025750 /nfs/dbraw/zinc/02/57/50/553025750.db2.gz IUEXHKMSHSGQAE-XNXLFWIOSA-N 0 0 627.604 9.079 50 30 KKEARN CCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000008432941 553027667 /nfs/dbraw/zinc/02/76/67/553027667.db2.gz CDRLFAJGGKCXFD-FLWNBWAVSA-N 0 0 508.684 6.474 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000008433425 553028931 /nfs/dbraw/zinc/02/89/31/553028931.db2.gz QPCWALGPIUTLKE-UUWRZZSWSA-N 0 0 582.656 7.540 50 30 KKEARN C#CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(C)=O)=C(c2ccccc2)N=3)cc1OCC ZINC000008437729 553031972 /nfs/dbraw/zinc/03/19/72/553031972.db2.gz YEVPGNCIZARDBR-OINPTKSXSA-N 0 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5.765 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccccc1OCC ZINC000008444061 553048993 /nfs/dbraw/zinc/04/89/93/553048993.db2.gz OAMRIZUYZGDHNX-PBUKZNKTSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccccc1OCCC ZINC000008444094 553049006 /nfs/dbraw/zinc/04/90/06/553049006.db2.gz YRAMIVRCEXKZOZ-FEERPNRMSA-N 0 0 552.715 7.965 50 30 KKEARN CCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444105 553049309 /nfs/dbraw/zinc/04/93/09/553049309.db2.gz KUHFNBIQGOQYCS-GUZYMRFCSA-N 0 0 542.679 8.080 50 30 KKEARN CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C(=O)OCC)cc3)NC2=O)cc1OCC ZINC000008444259 553049743 /nfs/dbraw/zinc/04/97/43/553049743.db2.gz KSPQDZGIIVZUOR-XSFVSMFZSA-N 0 0 580.444 5.547 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444389 553050202 /nfs/dbraw/zinc/05/02/02/553050202.db2.gz SQNLOVGMGPBLCH-QYTMHSNXSA-N 0 0 559.685 7.886 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513.969 5.596 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000008445418 553054221 /nfs/dbraw/zinc/05/42/21/553054221.db2.gz NMDNETTXHPHNBL-HSZRJFAPSA-N 0 0 528.424 5.565 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008445778 553054917 /nfs/dbraw/zinc/05/49/17/553054917.db2.gz SXDXNWJHEOROSG-UHFFFAOYSA-N 0 0 507.659 7.206 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)N3CCCc4ccccc43)n2)cc1 ZINC000008445850 553055135 /nfs/dbraw/zinc/05/51/35/553055135.db2.gz LHZWZJHZIAHYCO-UHFFFAOYSA-N 0 0 505.643 6.757 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000008448694 553056532 /nfs/dbraw/zinc/05/65/32/553056532.db2.gz MPQANXLESBBKME-DUKOGOLDSA-N 0 0 561.726 7.061 50 30 KKEARN CCCCCCCCCCOC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449110 553057006 /nfs/dbraw/zinc/05/70/06/553057006.db2.gz JDQYLVYYRXZPHS-LYBMHKGZSA-N 0 0 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553067599 /nfs/dbraw/zinc/06/75/99/553067599.db2.gz FGXHOSIEWBJTTK-UBXIJNLVSA-N 0 0 666.828 6.532 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008455838 553073854 /nfs/dbraw/zinc/07/38/54/553073854.db2.gz IZLLPMLNHRTFFU-DWQUBVKVSA-N 0 0 612.541 7.704 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000008456507 553074730 /nfs/dbraw/zinc/07/47/30/553074730.db2.gz FFRKYTMOWWJYBJ-PMERELPUSA-N 0 0 567.483 8.166 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2C#N)C1 ZINC000008456758 553074930 /nfs/dbraw/zinc/07/49/30/553074930.db2.gz VTMZWCMYTASDDX-QMMMGPOBSA-N 0 0 542.414 6.608 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000008461810 553075402 /nfs/dbraw/zinc/07/54/02/553075402.db2.gz ASNWBDHFMSQWGN-UHFFFAOYSA-N 0 0 635.599 7.099 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000008492975 553076091 /nfs/dbraw/zinc/07/60/91/553076091.db2.gz NFBSFPAZIGMJEI-AJBULDERSA-N 0 0 610.557 5.445 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=O)N=C3SC(C4CCCCC4)=NN3C2=N)cc1OCC ZINC000008494142 553076611 /nfs/dbraw/zinc/07/66/11/553076611.db2.gz QPAPWSBVQLEBDM-NGCNRVHESA-N 0 0 558.704 6.471 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=O)N=C4SC(C(C)C)=NN4C3=N)cc2)c(OC)c1 ZINC000008495235 553077107 /nfs/dbraw/zinc/07/71/07/553077107.db2.gz IYTFHYUGNMPDIW-VTPTUSAFSA-N 0 0 504.612 5.157 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000008590150 553081821 /nfs/dbraw/zinc/08/18/21/553081821.db2.gz VIPGGOFEWMEETJ-UHFFFAOYSA-N 0 0 515.513 5.555 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N ZINC000008636628 553105177 /nfs/dbraw/zinc/10/51/77/553105177.db2.gz MXCPCDDUTICAPK-UHFFFAOYSA-N 0 0 567.143 7.998 50 30 KKEARN COc1cc(CC/C(C)=N/OC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008637094 553105960 /nfs/dbraw/zinc/10/59/60/553105960.db2.gz QQYXASBZUONBTA-BIZUNTBRSA-N 0 0 528.476 8.044 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000008654282 553108262 /nfs/dbraw/zinc/10/82/62/553108262.db2.gz BSAVBQCSJMZEAN-BXCHBZDESA-N 0 0 542.151 7.013 50 30 KKEARN Cc1ccc(NC(=O)c2[nH]cnc2N=C2SC[C@](O)(c3ccccc3Cl)N2c2ccccc2)cc1 ZINC000008656877 553108613 /nfs/dbraw/zinc/10/86/13/553108613.db2.gz FSSLTXVHZDCHSK-SEKJYVSJSA-N 0 0 504.015 5.710 50 30 KKEARN N#Cc1c(C/C=N\OCc2c(F)cccc2Cl)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000008671053 553110300 /nfs/dbraw/zinc/11/03/00/553110300.db2.gz GJAQSWVFYUZJGE-XNUQMYNASA-N 0 0 521.348 6.771 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 ZINC000008690138 553117142 /nfs/dbraw/zinc/11/71/42/553117142.db2.gz FEOMOTCCLVKPQZ-FPQJKWOGSA-N 0 0 513.557 6.123 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008695136 553120962 /nfs/dbraw/zinc/12/09/62/553120962.db2.gz LKTYVQQOULWBDN-RUZDIDTESA-N 0 0 505.401 6.604 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c2)c(Cl)c1 ZINC000008695519 553121923 /nfs/dbraw/zinc/12/19/23/553121923.db2.gz SUVYMSXDILQUPG-OCSSWDANSA-N 0 0 550.450 5.784 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000008695580 553122261 /nfs/dbraw/zinc/12/22/61/553122261.db2.gz WBRPLGYKMHLJHB-PKHCJMHPSA-N 0 0 558.631 5.650 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008695632 553122408 /nfs/dbraw/zinc/12/24/08/553122408.db2.gz PLPGDHBJMHHZGN-IYLMVCPTSA-N 0 0 614.739 7.211 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc(Cl)c1 ZINC000008695622 553122436 /nfs/dbraw/zinc/12/24/36/553122436.db2.gz MYNAMKRMYVTVBH-PVAZPRTOSA-N 0 0 559.106 7.838 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008695631 553122441 /nfs/dbraw/zinc/12/24/41/553122441.db2.gz PLPGDHBJMHHZGN-NMRUTFGKSA-N 0 0 614.739 7.211 50 30 KKEARN CCOc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1OCc1ccccc1C#N ZINC000008722627 553130220 /nfs/dbraw/zinc/13/02/20/553130220.db2.gz SDJMSIANMPUEAQ-RRDBNTQTSA-N 0 0 511.397 6.557 50 30 KKEARN COc1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000008733042 553130369 /nfs/dbraw/zinc/13/03/69/553130369.db2.gz MYIHODFJRNGUCI-XAZZYMPDSA-N 0 0 515.639 5.659 50 30 KKEARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008740092 553131895 /nfs/dbraw/zinc/13/18/95/553131895.db2.gz KMDHIRGFRAIIQQ-BTDRKBCRSA-N 0 0 524.767 7.407 50 30 biogenic KKEARN CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)ccc1OCc1ccccc1 ZINC000008741749 553133063 /nfs/dbraw/zinc/13/30/63/553133063.db2.gz XLTTZNKIHISUTL-LJAQVGFWSA-N 0 0 520.633 6.581 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000008753236 553135442 /nfs/dbraw/zinc/13/54/42/553135442.db2.gz JZKNWYQIRMPUSI-RGJYROARSA-N 0 0 616.758 8.224 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000008753263 553135699 /nfs/dbraw/zinc/13/56/99/553135699.db2.gz FGNDYZKPCWKGSY-CZTRJMPPSA-N 0 0 604.703 6.864 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000008753275 553135759 /nfs/dbraw/zinc/13/57/59/553135759.db2.gz FGNDYZKPCWKGSY-GNTYDJQKSA-N 0 0 604.703 6.864 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000008758784 553137222 /nfs/dbraw/zinc/13/72/22/553137222.db2.gz ZBSKGSWDGPZGSK-UHFFFAOYSA-N 0 0 530.847 6.367 50 30 KKEARN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000008783549 553145000 /nfs/dbraw/zinc/14/50/00/553145000.db2.gz WZUOZPHUVPUKDN-UHFFFAOYSA-N 0 0 505.625 5.670 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)ccc1OCc1ccccc1Cl ZINC000008820852 553155564 /nfs/dbraw/zinc/15/55/64/553155564.db2.gz OZDJSHJXAHIELP-JJFYIABZSA-N 0 0 503.382 6.612 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008827790 553157007 /nfs/dbraw/zinc/15/70/07/553157007.db2.gz OPISNMIFGMJUIH-HSZRJFAPSA-N 0 0 520.994 6.058 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)CSc4nc(N)n[nH]4)sc3C(C)(C)C2)cc1 ZINC000008829623 553157655 /nfs/dbraw/zinc/15/76/55/553157655.db2.gz KYLGLLYWMOMOPQ-AATRIKPKSA-N 0 0 506.657 5.228 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000008845781 553165764 /nfs/dbraw/zinc/16/57/64/553165764.db2.gz JUIZRAMVRAFVMG-VWLOTQADSA-N 0 0 512.587 5.822 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000008846353 553166136 /nfs/dbraw/zinc/16/61/36/553166136.db2.gz SGFYSGLIADLYHD-OGVWKLGRSA-N 0 0 521.705 7.860 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccco2)cc1 ZINC000008846684 553166572 /nfs/dbraw/zinc/16/65/72/553166572.db2.gz YXJBVGKGKIRLFE-WXTAPIANSA-N 0 0 508.540 7.040 50 30 KKEARN COc1ccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3cc(Cl)ccc3o2)cc1OC ZINC000008859260 553169316 /nfs/dbraw/zinc/16/93/16/553169316.db2.gz RINPJDSQKFTNDL-ZDLGFXPLSA-N 0 0 509.942 5.948 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000008860508 553170111 /nfs/dbraw/zinc/17/01/11/553170111.db2.gz XKBJVQHMEXMFDZ-AREMUKBSSA-O 0 0 510.717 6.465 50 30 endogenous,in-man KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000008867195 553170537 /nfs/dbraw/zinc/17/05/37/553170537.db2.gz QJIFCLKNNUGFSN-DSWYMIRZSA-N 0 0 507.999 5.287 50 30 KKEARN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c(Cl)c1 ZINC000008872003 553171978 /nfs/dbraw/zinc/17/19/78/553171978.db2.gz GDBDTBCXSHVFRB-JVWAILMASA-N 0 0 500.434 5.865 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc(Cl)cc1 ZINC000008872286 553172953 /nfs/dbraw/zinc/17/29/53/553172953.db2.gz OQCRNEDCKXMBPR-VUTHCHCSSA-N 0 0 520.037 5.171 50 30 KKEARN Clc1ccccc1COc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000008872270 553172958 /nfs/dbraw/zinc/17/29/58/553172958.db2.gz CFWVCCYIPUORLN-VUTHCHCSSA-N 0 0 506.054 5.531 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008872311 553173108 /nfs/dbraw/zinc/17/31/08/553173108.db2.gz JWFOBZCDRZPWFL-ZCTHSVRISA-N 0 0 562.590 6.301 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(Nc3ccccc3)n2)cc1 ZINC000008872731 553173756 /nfs/dbraw/zinc/17/37/56/553173756.db2.gz QQVKKPOTYAITRI-ZMOGYAJESA-N 0 0 521.335 5.181 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894194 553177578 /nfs/dbraw/zinc/17/75/78/553177578.db2.gz DNOBNBBQCVHVND-AREMUKBSSA-N 0 0 512.631 6.774 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894391 553177581 /nfs/dbraw/zinc/17/75/81/553177581.db2.gz NBIKPDOTFBJAAK-XMMPIXPASA-N 0 0 502.567 6.179 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008896918 553179087 /nfs/dbraw/zinc/17/90/87/553179087.db2.gz QNEVCIQDYQLUAA-DEOSSOPVSA-N 0 0 500.576 6.108 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896837 553179159 /nfs/dbraw/zinc/17/91/59/553179159.db2.gz QAESIRWTKOSRPL-VWLOTQADSA-N 0 0 516.594 6.570 50 30 KKEARN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C(=O)c2ccccc2)c2nc3ccccc3o2)cc1 ZINC000008915577 553186267 /nfs/dbraw/zinc/18/62/67/553186267.db2.gz RJXLOQQFEREABT-SGWCAAJKSA-N 0 0 511.581 7.503 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc(OCc2ccccc2)c1 ZINC000008916666 553186782 /nfs/dbraw/zinc/18/67/82/553186782.db2.gz UNZSIFQOJYJJCQ-XIFFEERXSA-N 0 0 528.652 7.722 50 30 KKEARN C=CCn1c(SCCCCOc2ccccc2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000008925730 553190783 /nfs/dbraw/zinc/19/07/83/553190783.db2.gz GLGKLVMZAAHACT-UHFFFAOYSA-N 0 0 520.606 6.052 50 30 KKEARN COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(-c3ccc(OC)c(OC)c3)c2C#N)cc1 ZINC000008934333 553192614 /nfs/dbraw/zinc/19/26/14/553192614.db2.gz APOXGZNAJWCUDJ-UHFFFAOYSA-N 0 0 502.617 6.350 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008934734 553193173 /nfs/dbraw/zinc/19/31/73/553193173.db2.gz KPWXHJMPWCJMEA-RUZDIDTESA-N 0 0 500.595 6.904 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 ZINC000008959075 553194514 /nfs/dbraw/zinc/19/45/14/553194514.db2.gz JYBDNTCJVBEGAI-UHFFFAOYSA-N 0 0 504.036 6.871 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008973871 553195521 /nfs/dbraw/zinc/19/55/21/553195521.db2.gz JMPLBIHFXWXXKA-AREMUKBSSA-N 0 0 512.631 6.910 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008973872 553195592 /nfs/dbraw/zinc/19/55/92/553195592.db2.gz JMPLBIHFXWXXKA-SANMLTNESA-N 0 0 512.631 6.910 50 30 KKEARN CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980287 553196044 /nfs/dbraw/zinc/19/60/44/553196044.db2.gz OTZFBGZBEBPXKP-JOCHJYFZSA-N 0 0 525.575 5.706 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008996885 553197440 /nfs/dbraw/zinc/19/74/40/553197440.db2.gz ZKCKZXZWDIIIAX-RUZDIDTESA-N 0 0 514.603 5.967 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008996886 553197451 /nfs/dbraw/zinc/19/74/51/553197451.db2.gz ZKCKZXZWDIIIAX-VWLOTQADSA-N 0 0 514.603 5.967 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996557 553197508 /nfs/dbraw/zinc/19/75/08/553197508.db2.gz XMAMXRICPKMTAR-XMMPIXPASA-N 0 0 502.592 6.332 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000009007521 553198107 /nfs/dbraw/zinc/19/81/07/553198107.db2.gz ODKSXVSPCKEJCS-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009008519 553198998 /nfs/dbraw/zinc/19/89/98/553198998.db2.gz XKNIAFOCWAIRQH-XMMPIXPASA-N 0 0 502.592 6.503 50 30 KKEARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4nnc(SCc5ccccc5)s4)sc3n2)c1 ZINC000009009661 553199516 /nfs/dbraw/zinc/19/95/16/553199516.db2.gz YHKJDHBAPMCXLI-UHFFFAOYSA-N 0 0 505.650 6.334 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009019992 553201244 /nfs/dbraw/zinc/20/12/44/553201244.db2.gz PXDITGAURYUQRG-QHCPKHFHSA-N 0 0 506.426 5.951 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2nc3ccccc3o2)cc1 ZINC000009030821 553201561 /nfs/dbraw/zinc/20/15/61/553201561.db2.gz KXFQITWKELYOAO-XLNRJJMWSA-N 0 0 518.396 8.607 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009041836 553202393 /nfs/dbraw/zinc/20/23/93/553202393.db2.gz TVVKJSGPONRBEQ-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009043564 553202876 /nfs/dbraw/zinc/20/28/76/553202876.db2.gz GRLWEANXIXANGQ-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000009043249 553202921 /nfs/dbraw/zinc/20/29/21/553202921.db2.gz NTOKNEWJUPQBJH-MHZLTWQESA-N 0 0 516.594 5.452 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009045232 553203250 /nfs/dbraw/zinc/20/32/50/553203250.db2.gz GAHDEJUMKWHAID-VWLOTQADSA-N 0 0 514.603 6.022 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046276 553203813 /nfs/dbraw/zinc/20/38/13/553203813.db2.gz JPXBQHJUXZAVMP-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009046491 553204002 /nfs/dbraw/zinc/20/40/02/553204002.db2.gz VWRWGNYJIZUHBG-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009066766 553206182 /nfs/dbraw/zinc/20/61/82/553206182.db2.gz VEFVYKHFALPGBG-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009067197 553206340 /nfs/dbraw/zinc/20/63/40/553206340.db2.gz JOADRHRSTYFYRF-QHCPKHFHSA-N 0 0 518.566 5.852 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009068478 553206660 /nfs/dbraw/zinc/20/66/60/553206660.db2.gz DQVXNIACAZIPAP-QFIPXVFZSA-N 0 0 511.043 6.502 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009069182 553206776 /nfs/dbraw/zinc/20/67/76/553206776.db2.gz YROKVZBIGWPCRJ-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN Cc1ccc(C2C=C(N=Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)C[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009076267 553207688 /nfs/dbraw/zinc/20/76/88/553207688.db2.gz DVMGNKXUOCKTQU-WXBIBZPPSA-N 0 0 508.669 8.651 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009086310 553208552 /nfs/dbraw/zinc/20/85/52/553208552.db2.gz SJPUEBWMYIPFHJ-LJAQVGFWSA-N 0 0 504.586 6.056 50 30 KKEARN COc1ccc(CNC(=O)CSc2nc(-c3ccc(OC)cc3)cc(-c3cccs3)c2C#N)cc1 ZINC000009089612 553209145 /nfs/dbraw/zinc/20/91/45/553209145.db2.gz YZBYQTWLNIPPQW-UHFFFAOYSA-N 0 0 501.633 5.774 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000009108730 553209706 /nfs/dbraw/zinc/20/97/06/553209706.db2.gz SBAWHCDSUYTNBV-PMERELPUSA-N 0 0 531.052 6.743 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000009109149 553209957 /nfs/dbraw/zinc/20/99/57/553209957.db2.gz PAVOYJYOSFLOFV-WNSROMTISA-N 0 0 538.707 8.604 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009110980 553210135 /nfs/dbraw/zinc/21/01/35/553210135.db2.gz STZHJULUEGBVJZ-JSQHHSATSA-N 0 0 509.480 5.905 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2I)cc1 ZINC000009113741 553210715 /nfs/dbraw/zinc/21/07/15/553210715.db2.gz IHVIXZSGKOQBPH-DWXRJYCRSA-N 0 0 506.387 6.579 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000009123676 553212247 /nfs/dbraw/zinc/21/22/47/553212247.db2.gz LPPPZGCWDDFXRU-VWLOTQADSA-N 0 0 514.622 7.133 50 30 KKEARN COc1ccc(CCN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009158083 553214932 /nfs/dbraw/zinc/21/49/32/553214932.db2.gz WQBKEGVPZLALEI-NDEPHWFRSA-N 0 0 534.619 5.501 50 30 KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000009159739 553215523 /nfs/dbraw/zinc/21/55/23/553215523.db2.gz SACZCXDFCQHPPQ-MBTHVWNTSA-N 0 0 503.510 6.551 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000009176830 553216301 /nfs/dbraw/zinc/21/63/01/553216301.db2.gz JHEZTIHBGWOWEC-VWLOTQADSA-N 0 0 525.432 6.654 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000009177802 553216326 /nfs/dbraw/zinc/21/63/26/553216326.db2.gz INRCZOCNDPHKGP-OAQYLSRUSA-N 0 0 505.393 6.150 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178022 553216588 /nfs/dbraw/zinc/21/65/88/553216588.db2.gz CWARXXXRFHGMBP-JOCHJYFZSA-N 0 0 509.414 7.003 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009186505 553217629 /nfs/dbraw/zinc/21/76/29/553217629.db2.gz DZQXUKULKMGASS-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3c(Cl)cccc3Cl)C4=O)c2c1 ZINC000009192382 553218832 /nfs/dbraw/zinc/21/88/32/553218832.db2.gz YQQQYZLEYSYZMK-CFRMEGHHSA-N 0 0 509.341 7.282 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000009210358 553220689 /nfs/dbraw/zinc/22/06/89/553220689.db2.gz SUFPNNNNICLNGG-QSRXLDFZSA-N 0 0 523.549 5.074 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCC)cc2)cc1 ZINC000009216265 553221527 /nfs/dbraw/zinc/22/15/27/553221527.db2.gz SWTJVHRUCKREOH-BDYUSTAISA-N 0 0 505.412 6.655 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237518 553225849 /nfs/dbraw/zinc/22/58/49/553225849.db2.gz SVBVLOGRBYENKX-DEOSSOPVSA-N 0 0 500.551 6.092 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000009240771 553226163 /nfs/dbraw/zinc/22/61/63/553226163.db2.gz CRXWJSILSMLNQG-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009243706 553226882 /nfs/dbraw/zinc/22/68/82/553226882.db2.gz BYTKEMAZOVDQJD-XDHUDOTRSA-N 0 0 504.608 5.818 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244140 553226986 /nfs/dbraw/zinc/22/69/86/553226986.db2.gz DJKFJSZJWQBRRF-FQEVSTJZSA-N 0 0 508.571 5.458 50 30 KKEARN O=C(Cc1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264232 553228865 /nfs/dbraw/zinc/22/88/65/553228865.db2.gz JHOCRMSNPIMRPL-SONOPUAISA-N 0 0 515.034 7.138 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NC1CCCCC1 ZINC000009264331 553229105 /nfs/dbraw/zinc/22/91/05/553229105.db2.gz MQMNGUZGUQURNX-WRGVRERRSA-N 0 0 511.622 6.705 50 30 KKEARN COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264327 553229118 /nfs/dbraw/zinc/22/91/18/553229118.db2.gz KGDAYBNAROWAKW-BGOLNKOXSA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270691 553230494 /nfs/dbraw/zinc/23/04/94/553230494.db2.gz UKZSQNDIZDXEMW-NRFANRHFSA-N 0 0 511.372 5.526 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009282356 553233867 /nfs/dbraw/zinc/23/38/67/553233867.db2.gz QKDJJOSJBTUXET-AREMUKBSSA-N 0 0 502.567 5.056 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009291421 553234634 /nfs/dbraw/zinc/23/46/34/553234634.db2.gz KBFQKSHIIIIFQA-MMTVBGGISA-N 0 0 512.606 5.753 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292582 553235075 /nfs/dbraw/zinc/23/50/75/553235075.db2.gz SERRJOYAMJLVNS-SHACYNPGSA-N 0 0 516.550 5.550 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009292793 553235086 /nfs/dbraw/zinc/23/50/86/553235086.db2.gz CIZDZDPOHMSWPQ-KMRXNPHXSA-N 0 0 529.637 5.444 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009292767 553235156 /nfs/dbraw/zinc/23/51/56/553235156.db2.gz VSKKWSBHZFIKNL-HSZRJFAPSA-N 0 0 507.384 5.411 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009301946 553236117 /nfs/dbraw/zinc/23/61/17/553236117.db2.gz XLKNKDLGQAYPRZ-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009308825 553237706 /nfs/dbraw/zinc/23/77/06/553237706.db2.gz AUPDNFBQXZWBKL-NGOKVRLYSA-N 0 0 537.653 5.593 50 30 KKEARN O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000009311684 553239678 /nfs/dbraw/zinc/23/96/78/553239678.db2.gz PLUYFRLWQMOGJM-ZDLGFXPLSA-N 0 0 504.749 6.162 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 ZINC000009311578 553239720 /nfs/dbraw/zinc/23/97/20/553239720.db2.gz HYOZLPAAEXYFTE-ZVHZXABRSA-N 0 0 505.552 5.473 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009311876 553239828 /nfs/dbraw/zinc/23/98/28/553239828.db2.gz XYKMRLJUXLLMPD-ONOMSOESSA-N 0 0 511.618 6.358 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009318988 553241326 /nfs/dbraw/zinc/24/13/26/553241326.db2.gz CWGLHFVUPUMWRC-WRGVRERRSA-N 0 0 527.577 5.923 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009328393 553242031 /nfs/dbraw/zinc/24/20/31/553242031.db2.gz ONHMBDJMPCJCBB-CMJOXMDJSA-N 0 0 512.393 5.182 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009329163 553242216 /nfs/dbraw/zinc/24/22/16/553242216.db2.gz PAZMPQYNDRAPPJ-AREMUKBSSA-N 0 0 503.551 5.254 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009339627 553243696 /nfs/dbraw/zinc/24/36/96/553243696.db2.gz ORFQSNSBZVXPPI-VWLOTQADSA-N 0 0 514.603 6.185 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009350594 553245354 /nfs/dbraw/zinc/24/53/54/553245354.db2.gz GBMCEOGDLLQHRF-PUAOIOHZSA-N 0 0 512.587 5.720 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009353917 553245634 /nfs/dbraw/zinc/24/56/34/553245634.db2.gz LTVUYMQMGPUMTA-HMILPKGGSA-N 0 0 513.590 5.586 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009354046 553245752 /nfs/dbraw/zinc/24/57/52/553245752.db2.gz XDRPSZWCHRHSQV-SMSORMJASA-N 0 0 525.645 6.400 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009358224 553247558 /nfs/dbraw/zinc/24/75/58/553247558.db2.gz IKYOLTCLRRDVCK-WVXBCFDCSA-N 0 0 518.569 6.281 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358905 553247700 /nfs/dbraw/zinc/24/77/00/553247700.db2.gz HXNHKWPZMVCTRT-OYLFLEFRSA-N 0 0 500.551 5.850 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(Cl)c1)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000009359793 553248210 /nfs/dbraw/zinc/24/82/10/553248210.db2.gz IIXZAEDXNHJDCJ-VWLOTQADSA-N 0 0 504.936 5.099 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360287 553248468 /nfs/dbraw/zinc/24/84/68/553248468.db2.gz RCAJUSOUPHEVPI-QHCPKHFHSA-N 0 0 520.632 6.110 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009380170 553251823 /nfs/dbraw/zinc/25/18/23/553251823.db2.gz AWWUWWOQTRVMIZ-HHHXNRCGSA-N 0 0 516.594 5.221 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000009380747 553251966 /nfs/dbraw/zinc/25/19/66/553251966.db2.gz NQMJUFKEYGJLAL-SSEXGKCCSA-N 0 0 504.671 7.207 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009412478 553257577 /nfs/dbraw/zinc/25/75/77/553257577.db2.gz ZHAVJIRSPJDGBY-PSLXWICFSA-N 0 0 518.616 5.863 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009424254 553258527 /nfs/dbraw/zinc/25/85/27/553258527.db2.gz YGIRHSJUUYIYMF-PPHZAIPVSA-N 0 0 501.579 5.806 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009424251 553258538 /nfs/dbraw/zinc/25/85/38/553258538.db2.gz YGIRHSJUUYIYMF-XHCCPWGMSA-N 0 0 501.579 5.806 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009455085 553266277 /nfs/dbraw/zinc/26/62/77/553266277.db2.gz UVJMEZNUZULDEJ-LMKMVOKYSA-N 0 0 508.401 6.138 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009459415 553266639 /nfs/dbraw/zinc/26/66/39/553266639.db2.gz VIGLXVGAUFJBEY-NDEPHWFRSA-N 0 0 513.590 5.805 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009459800 553266895 /nfs/dbraw/zinc/26/68/95/553266895.db2.gz BZMBPRMDTKSKPJ-XMMPIXPASA-N 0 0 514.559 5.167 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009459801 553266907 /nfs/dbraw/zinc/26/69/07/553266907.db2.gz BZMBPRMDTKSKPJ-DEOSSOPVSA-N 0 0 514.559 5.167 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000009460996 553267216 /nfs/dbraw/zinc/26/72/16/553267216.db2.gz WXQLUGAQIWHWLR-MUUNZHRXSA-N 0 0 514.622 5.255 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009461124 553267372 /nfs/dbraw/zinc/26/73/72/553267372.db2.gz KYTCGZZADCWBLQ-GDLZYMKVSA-N 0 0 504.586 6.056 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000009461426 553267553 /nfs/dbraw/zinc/26/75/53/553267553.db2.gz KFJZVELZHGXOPC-NDEPHWFRSA-N 0 0 523.589 5.145 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009461338 553267577 /nfs/dbraw/zinc/26/75/77/553267577.db2.gz HYXFSFIJUGQDQB-SSEXGKCCSA-N 0 0 521.613 7.069 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009461291 553267590 /nfs/dbraw/zinc/26/75/90/553267590.db2.gz UCAFMUBNNVNOCQ-MUUNZHRXSA-N 0 0 509.558 5.954 50 30 KKEARN C=C(C)Cn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000009462195 553268102 /nfs/dbraw/zinc/26/81/02/553268102.db2.gz DZOJFLAWZGNLFX-UHFFFAOYSA-N 0 0 507.744 6.375 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000009462963 553268739 /nfs/dbraw/zinc/26/87/39/553268739.db2.gz PMCBPPVJFSTHOA-NRUKRWIHSA-N 0 0 512.625 7.315 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009464153 553269382 /nfs/dbraw/zinc/26/93/82/553269382.db2.gz HQFOMIMNIFPWSY-GDLZYMKVSA-N 0 0 507.586 6.508 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009471422 553269995 /nfs/dbraw/zinc/26/99/95/553269995.db2.gz YUZWOKWNMPRATA-VKGTZQKMSA-N 0 0 528.605 5.371 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)s2)cc1OC ZINC000009598267 553284345 /nfs/dbraw/zinc/28/43/45/553284345.db2.gz FHNBGSASLXENGH-IIMAJNMQSA-N 0 0 528.674 6.382 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1 ZINC000009598325 553284500 /nfs/dbraw/zinc/28/45/00/553284500.db2.gz ZSDUNDDPPFVOEA-RCRUUEGKSA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2)cc1OC ZINC000009598332 553284532 /nfs/dbraw/zinc/28/45/32/553284532.db2.gz CYUIACPDVJWPCO-WVXBCFDCSA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(C)c2)cc1OC ZINC000009598333 553284550 /nfs/dbraw/zinc/28/45/50/553284550.db2.gz RAVWFMTUVFNHAO-WBBHLRKXSA-N 0 0 522.645 6.321 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600900 553286209 /nfs/dbraw/zinc/28/62/09/553286209.db2.gz SAQRGKHYTDGLFS-JOCHJYFZSA-N 0 0 506.967 5.837 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009608848 553287771 /nfs/dbraw/zinc/28/77/71/553287771.db2.gz OWWPQBFKBXNUOQ-DEOSSOPVSA-N 0 0 531.678 5.897 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OC(C)C)cc1 ZINC000009679528 553296404 /nfs/dbraw/zinc/29/64/04/553296404.db2.gz UGAONEQDCRZECK-QYTMHSNXSA-N 0 0 536.716 8.263 50 30 KKEARN COC(=O)COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000009720715 553300785 /nfs/dbraw/zinc/30/07/85/553300785.db2.gz CDQFYFJATCSYOT-BKMCGOQMSA-N 0 0 511.603 5.566 50 30 KKEARN CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1O ZINC000009731116 553302463 /nfs/dbraw/zinc/30/24/63/553302463.db2.gz JDECAKRFBHYUII-RPPGKUMJSA-N 0 0 508.199 6.863 50 30 KKEARN Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(Cl)c3Cl)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775616 553304290 /nfs/dbraw/zinc/30/42/90/553304290.db2.gz ISZZXVUQUYEOIX-UHFFFAOYSA-N 0 0 508.489 8.192 50 30 KKEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009780989 553307807 /nfs/dbraw/zinc/30/78/07/553307807.db2.gz UESDYIBDTQYSNL-QHCPKHFHSA-N 0 0 504.631 6.024 50 30 KKEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009781018 553307833 /nfs/dbraw/zinc/30/78/33/553307833.db2.gz IVHIKGSSXKMRFA-HSZRJFAPSA-N 0 0 521.086 6.539 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000009783065 553308212 /nfs/dbraw/zinc/30/82/12/553308212.db2.gz CQGVQWTXWMYVBB-XIFFEERXSA-N 0 0 503.642 8.127 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000009781946 553308215 /nfs/dbraw/zinc/30/82/15/553308215.db2.gz RYMGNYYRSYEQJK-HLADLETHSA-N 0 0 532.681 5.483 50 30 KKEARN COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c1OC ZINC000009805243 553308277 /nfs/dbraw/zinc/30/82/77/553308277.db2.gz GUNMIIZKTCRVAS-HPGBDJQBSA-N 0 0 516.594 5.709 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2cccs2)cc1OC ZINC000009805166 553308302 /nfs/dbraw/zinc/30/83/02/553308302.db2.gz YYKIFUNNIZUUGN-XHCCPWGMSA-N 0 0 527.708 5.813 50 30 KKEARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009846416 553311846 /nfs/dbraw/zinc/31/18/46/553311846.db2.gz GRZGVGIYCMPGIQ-SBGXGKRISA-N 0 0 510.015 5.518 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CCc1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000009846564 553312083 /nfs/dbraw/zinc/31/20/83/553312083.db2.gz QBVYNCAZOBZGSP-NDEPHWFRSA-N 0 0 501.468 7.308 50 30 KKEARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009850527 553312816 /nfs/dbraw/zinc/31/28/16/553312816.db2.gz FXELFBZUTZWDLO-PQHDRGKASA-N 0 0 510.015 5.518 50 30 KKEARN CN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009851377 553313170 /nfs/dbraw/zinc/31/31/70/553313170.db2.gz YJENQHSCIFNPDX-RWZHXRJHSA-N 0 0 510.752 6.256 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000009907664 553315994 /nfs/dbraw/zinc/31/59/94/553315994.db2.gz COGBQJFFEMFEGE-KLHGDHNKSA-N 0 0 518.679 7.087 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000009907663 553316015 /nfs/dbraw/zinc/31/60/15/553316015.db2.gz COGBQJFFEMFEGE-XRDWFJMKSA-N 0 0 518.679 7.087 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccc(C)c(Cl)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000009982763 553323451 /nfs/dbraw/zinc/32/34/51/553323451.db2.gz ABOBMAUYONLBRA-HSZRJFAPSA-N 0 0 501.117 6.991 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993062 553323743 /nfs/dbraw/zinc/32/37/43/553323743.db2.gz CSEKWHLQLUXGGF-UUWRZZSWSA-N 0 0 503.092 7.290 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)CCSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000009993123 553323752 /nfs/dbraw/zinc/32/37/52/553323752.db2.gz FBHDHEXSNQKEPI-UHFFFAOYSA-N 0 0 518.729 7.212 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993825 553324154 /nfs/dbraw/zinc/32/41/54/553324154.db2.gz OBHYGBNXBCAPDA-MUUNZHRXSA-N 0 0 534.697 5.382 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013752 553326240 /nfs/dbraw/zinc/32/62/40/553326240.db2.gz AOXLUSUQLLXMKG-HMILPKGGSA-N 0 0 514.528 5.694 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3Sc4ccccc4N=C4c5ccccc5C(=O)C43)cc2)cc1 ZINC000010059693 553327335 /nfs/dbraw/zinc/32/73/35/553327335.db2.gz APRFKUDYCVSXSU-LJAQVGFWSA-N 0 0 511.624 6.629 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2cccc(C)c2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000011565453 553339101 /nfs/dbraw/zinc/33/91/01/553339101.db2.gz PTJYTCCVSYRKNH-HWRYFGFYSA-N 0 0 508.441 6.080 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000012112562 553351405 /nfs/dbraw/zinc/35/14/05/553351405.db2.gz AMHMFDBBGUDGHQ-ICSRMJQJSA-N 0 0 524.662 6.192 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000012193686 553353903 /nfs/dbraw/zinc/35/39/03/553353903.db2.gz PLXFFWUGEDLSES-IXCJQBJRSA-N 0 0 503.440 7.380 50 30 KKEARN C=CCOc1ccccc1CN1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000012243690 553354839 /nfs/dbraw/zinc/35/48/39/553354839.db2.gz XLTUWLHYOAEQAP-VWNXMTODSA-N 0 0 516.692 5.938 50 30 KKEARN CC(=[NH+][N-]c1ccc(F)cc1)c1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c(F)c1 ZINC000012362613 553359468 /nfs/dbraw/zinc/35/94/68/553359468.db2.gz PAYGGGLEZAPONF-IBBHUPRXSA-N 0 0 504.915 5.695 50 30 KKEARN COc1cc(/N=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl ZINC000012369398 553359828 /nfs/dbraw/zinc/35/98/28/553359828.db2.gz CTKTZPWPWINIDP-RPPGKUMJSA-N 0 0 514.814 6.491 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(Br)s1 ZINC000012384439 553362453 /nfs/dbraw/zinc/36/24/53/553362453.db2.gz KQQBRDRELLYQJW-AREMUKBSSA-N 0 0 521.480 6.896 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411741 553363540 /nfs/dbraw/zinc/36/35/40/553363540.db2.gz UCBBGXLXIZIEBX-LGGPFLRQSA-N 0 0 529.681 6.734 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000012413024 553364125 /nfs/dbraw/zinc/36/41/25/553364125.db2.gz AQGPFKXVTQFWOQ-BERHBOFZSA-N 0 0 503.595 5.906 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccccc1OC ZINC000012413094 553364263 /nfs/dbraw/zinc/36/42/63/553364263.db2.gz SNZRSYCQYKRFIZ-CUMRGQLISA-N 0 0 519.594 5.606 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012413273 553364517 /nfs/dbraw/zinc/36/45/17/553364517.db2.gz LRVAENVXVNJJKV-VWLOTQADSA-N 0 0 532.706 6.219 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000012413845 553364650 /nfs/dbraw/zinc/36/46/50/553364650.db2.gz IRJDVAXRHCBLIV-DEOSSOPVSA-N 0 0 518.679 6.046 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000012416285 553364869 /nfs/dbraw/zinc/36/48/69/553364869.db2.gz MCZIIRXCDILBES-QLXKLKPCSA-N 0 0 521.038 6.116 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000012416295 553364871 /nfs/dbraw/zinc/36/48/71/553364871.db2.gz OEHQGUJVKCXWJR-WGDIFIGCSA-N 0 0 504.583 5.602 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000012416280 553364907 /nfs/dbraw/zinc/36/49/07/553364907.db2.gz YVQKVLFLQHQBKL-XGCWNURASA-N 0 0 518.610 5.905 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000012416366 553365029 /nfs/dbraw/zinc/36/50/29/553365029.db2.gz DPRVUXBHNBYQCX-DWXRJYCRSA-N 0 0 500.620 5.766 50 30 KKEARN CCOc1ccc(/C=C2\CC(C(C)(C)CC)C/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000012418564 553365415 /nfs/dbraw/zinc/36/54/15/553365415.db2.gz XLAMIVYLOXHBFH-RPCRKUJJSA-N 0 0 520.710 8.164 50 30 KKEARN COc1ccccc1-n1c(=O)c2c(nc1N/N=C/c1ccc(Cl)cc1)-c1ccccc1CC21CCCCC1 ZINC000012437018 553366458 /nfs/dbraw/zinc/36/64/58/553366458.db2.gz IGIWIWBKQBFMLV-FMFFXOCNSA-N 0 0 525.052 6.766 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000012469371 553368012 /nfs/dbraw/zinc/36/80/12/553368012.db2.gz OTUAOYFSVUAYQM-SQVRLAAPSA-N 0 0 512.006 5.691 50 30 KKEARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000012469723 553368230 /nfs/dbraw/zinc/36/82/30/553368230.db2.gz SRQLHVLUZVLIRI-FKOPLSKESA-N 0 0 521.561 5.643 50 30 KKEARN C[C@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2)C(=O)Nc1ccccc1C#N ZINC000012528916 553384740 /nfs/dbraw/zinc/38/47/40/553384740.db2.gz DMWCAEYDZILYJQ-VWXXCCROSA-N 0 0 529.640 7.075 50 30 KKEARN Cc1cc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CCC3)c(C)n1-c1ccc(C)c(C)c1 ZINC000012556069 553393577 /nfs/dbraw/zinc/39/35/77/553393577.db2.gz XPFXZSIIPNVASO-GDLZYMKVSA-N 0 0 511.069 7.423 50 30 KKEARN CCOC(=O)c1sc2c(c1C)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C1=C(CCCC1=O)N2 ZINC000012589616 553400043 /nfs/dbraw/zinc/40/00/43/553400043.db2.gz YMSNBSAQVOTGDV-RUZDIDTESA-N 0 0 509.631 6.650 50 30 KKEARN Cc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)nnc2-c2c[nH]c3ccccc32)c1 ZINC000012604012 553402170 /nfs/dbraw/zinc/40/21/70/553402170.db2.gz XDNNLJICIUWAJS-UHFFFAOYSA-N 0 0 509.551 5.235 50 30 KKEARN C=CCn1c(-c2c(N)c(C(=O)c3ccccc3)sc2Nc2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000012624108 553404522 /nfs/dbraw/zinc/40/45/22/553404522.db2.gz OPYCTJGUVRLUFV-UHFFFAOYSA-N 0 0 521.046 5.239 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)c1ccc(Br)o1 ZINC000012633122 553406144 /nfs/dbraw/zinc/40/61/44/553406144.db2.gz LTASIRPSUWZOKX-UHFFFAOYSA-N 0 0 511.376 5.725 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000012652376 553410023 /nfs/dbraw/zinc/41/00/23/553410023.db2.gz CPOJYNXPCLRADE-UGDMGKLASA-N 0 0 504.586 6.811 50 30 KKEARN COc1ccc(C2=C[C@](O)(c3ccc(OC)cc3)[C@@H](C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000012659087 553411362 /nfs/dbraw/zinc/41/13/62/553411362.db2.gz WRBYXBXOFDTHRD-JVDDVWJBSA-N 0 0 516.637 7.061 50 30 biogenic KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)NCCc1ccc(Cl)cc1Cl ZINC000012659532 553411458 /nfs/dbraw/zinc/41/14/58/553411458.db2.gz FTFGYJWBBJBJBI-UHFFFAOYSA-N 0 0 505.471 5.363 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000012662271 553412408 /nfs/dbraw/zinc/41/24/08/553412408.db2.gz SLOPQSZJVVHKBM-AJMMAXIBSA-N 0 0 527.727 6.293 50 30 biogenic KKEARN CCCCn1c(-c2ccccc2)c(-c2ccccc2)c(C#N)c1N(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000012858493 553422660 /nfs/dbraw/zinc/42/26/60/553422660.db2.gz PSOQDRBNHPGVIF-UHFFFAOYSA-N 0 0 623.800 7.695 50 30 KKEARN CCOC(=O)c1c(N=CNOCc2ccc(Cl)cc2)onc1OCCOC(=O)c1ccc(Cl)cc1Cl ZINC000012860223 553422733 /nfs/dbraw/zinc/42/27/33/553422733.db2.gz NOLGZJQGLKZYNV-UHFFFAOYSA-N 0 0 556.786 5.619 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4cccs4)c1C#N)CCC3)CCCC2 ZINC000012860238 553422736 /nfs/dbraw/zinc/42/27/36/553422736.db2.gz DMJJUVBDXRLSCP-UHFFFAOYSA-N 0 0 523.705 6.018 50 30 KKEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O ZINC000012878147 553425126 /nfs/dbraw/zinc/42/51/26/553425126.db2.gz QXYULVYWWWASHY-JXBYXGIRSA-N 0 0 501.538 7.347 50 30 biogenic KKEARN Cc1ccc(/C=C/c2cc(/C=C\c3ccc(C)cc3)c(C#N)c(SCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000012954351 553429152 /nfs/dbraw/zinc/42/91/52/553429152.db2.gz OIHGEAOKVLJNLG-QUDUTFMFSA-N 0 0 526.627 9.222 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3ccc(F)cc3)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000012955071 553429323 /nfs/dbraw/zinc/42/93/23/553429323.db2.gz GJQYESHMKMNWGG-NNLKUIAGSA-N 0 0 593.123 9.538 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2ccc(Br)cc2)=C3Sc2ccc(C)cc2)cc1 ZINC000012955087 553429333 /nfs/dbraw/zinc/42/93/33/553429333.db2.gz JREMZVKHCUNQDF-GUBAARJWSA-N 0 0 605.601 10.076 50 30 KKEARN O=C(NC=NOCc1ccccc1Br)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012959191 553430315 /nfs/dbraw/zinc/43/03/15/553430315.db2.gz GTAPRIHBMWAFIF-NRFANRHFSA-N 0 0 577.788 6.473 50 30 KKEARN Clc1cc(Cl)c(NN=C2c3ccccc3N=C2SCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000012960766 553430739 /nfs/dbraw/zinc/43/07/39/553430739.db2.gz VTHCUTLVMOEBAS-USHMODERSA-N 0 0 515.680 8.747 50 30 KKEARN N#Cc1c(/C=C/c2cccc(Br)c2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2 ZINC000012960736 553430783 /nfs/dbraw/zinc/43/07/83/553430783.db2.gz FBXYPVFAYBHJNW-CSKARUKUSA-N 0 0 507.343 6.493 50 30 KKEARN O=c1c(Cc2c(F)cccc2Cl)c(O)c(/C=N/OCc2ccc(Cl)cc2Cl)cn1CCc1c[nH]c2ccccc12 ZINC000012961221 553431025 /nfs/dbraw/zinc/43/10/25/553431025.db2.gz BRDOSRDWIXIKDY-IRWBXMRWSA-N 0 0 598.889 7.519 50 30 KKEARN COC(=O)c1c(COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)nc2ccccc2c1-c1ccccc1 ZINC000013016761 553433051 /nfs/dbraw/zinc/43/30/51/553433051.db2.gz BBMWVPMMHXZFCD-FYWRMAATSA-N 0 0 508.530 5.356 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cl ZINC000013068483 553444594 /nfs/dbraw/zinc/44/45/94/553444594.db2.gz JOFPYEOAVYWRNO-UHFFFAOYSA-N 0 0 519.406 5.414 50 30 KKEARN COCCN1C(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000013284425 553457597 /nfs/dbraw/zinc/45/75/97/553457597.db2.gz VCHJSSAPKLUXBJ-PVDWBYDBSA-N 0 0 511.647 6.257 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(N(CC)CC)cc1C ZINC000013286184 553457819 /nfs/dbraw/zinc/45/78/19/553457819.db2.gz UBGSYRNZUPPLQP-CNPBBGJZSA-N 0 0 515.148 7.269 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccccc2)cc1 ZINC000013475661 553459736 /nfs/dbraw/zinc/45/97/36/553459736.db2.gz VLWZEPLRYGUSMQ-BZUZNSEFSA-N 0 0 516.692 6.720 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1Cl)-c1ccccc1CC21CCCCC1 ZINC000013514096 553468090 /nfs/dbraw/zinc/46/80/90/553468090.db2.gz ALNFKZZPMFXCJR-UHFFFAOYSA-N 0 0 506.071 6.239 50 30 KKEARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2)C(=O)Nc1ccccc1C#N ZINC000013525165 553468729 /nfs/dbraw/zinc/46/87/29/553468729.db2.gz YGCFLHVXMQRMNL-SQVRNEIYSA-N 0 0 517.541 5.506 50 30 KKEARN C[C@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2)C(=O)Nc1ccccc1C#N ZINC000013525170 553468832 /nfs/dbraw/zinc/46/88/32/553468832.db2.gz YGCFLHVXMQRMNL-OFBHVFLISA-N 0 0 517.541 5.506 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3)cc2)c1 ZINC000013548895 553470022 /nfs/dbraw/zinc/47/00/22/553470022.db2.gz KLVKCHLEGUBPSW-MUUNZHRXSA-N 0 0 507.590 5.439 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000013551608 553470446 /nfs/dbraw/zinc/47/04/46/553470446.db2.gz QSMUOPWEFYVUJZ-AREMUKBSSA-N 0 0 502.567 5.062 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)c1 ZINC000013553013 553470933 /nfs/dbraw/zinc/47/09/33/553470933.db2.gz YUWQSIFLCDEXMZ-VWLOTQADSA-N 0 0 514.603 6.183 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000013557389 553471367 /nfs/dbraw/zinc/47/13/67/553471367.db2.gz SKYMRHSWNAUMPE-VWLOTQADSA-N 0 0 510.571 6.116 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000013571305 553473876 /nfs/dbraw/zinc/47/38/76/553473876.db2.gz BOUKOHSAJXXNNW-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1Br)OCCCO4 ZINC000013591127 553476861 /nfs/dbraw/zinc/47/68/61/553476861.db2.gz RCUVUAYLJHBZQO-HXUWFJFHSA-N 0 0 506.440 6.250 50 30 KKEARN Cc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 ZINC000013739380 553487320 /nfs/dbraw/zinc/48/73/20/553487320.db2.gz GFBZWUBATXFGKN-UHFFFAOYSA-N 0 0 527.715 7.120 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1ccccc1)c1ccc(C)cc1 ZINC000013769250 553489209 /nfs/dbraw/zinc/48/92/09/553489209.db2.gz MUXYVDYMOBCBJS-DSVJDSFRSA-N 0 0 511.585 6.813 50 30 KKEARN CC(=O)/C(=N\Nc1ccccc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000013810303 553492362 /nfs/dbraw/zinc/49/23/62/553492362.db2.gz GWGWRSHGQIJLIY-XPXRSFDGSA-N 0 0 525.678 7.001 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(C)cc1 ZINC000013880284 553493858 /nfs/dbraw/zinc/49/38/58/553493858.db2.gz QAPGHVKEZAJDSR-UHFFFAOYSA-N 0 0 528.645 7.013 50 30 KKEARN COc1ccccc1C(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013880299 553493892 /nfs/dbraw/zinc/49/38/92/553493892.db2.gz GCVIHAUBOJRGBE-UHFFFAOYSA-N 0 0 500.591 6.315 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccc(C)c1 ZINC000013880289 553493893 /nfs/dbraw/zinc/49/38/93/553493893.db2.gz OHOZUEUXPUKEHJ-UHFFFAOYSA-N 0 0 514.618 6.623 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000013882119 553494198 /nfs/dbraw/zinc/49/41/98/553494198.db2.gz YEFQGGDTEOUHGY-IPBJYNAHSA-N 0 0 509.606 7.076 50 30 KKEARN Clc1cccc(Cl)c1CN=Nc1nc(N(c2ccccc2)c2ccccc2)nc(N2CCOCC2)n1 ZINC000013942744 553496916 /nfs/dbraw/zinc/49/69/16/553496916.db2.gz IDYOMLVRCCKPLO-RDRPBHBLSA-N 0 0 520.424 5.931 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccccc3C)c3ccccc32)cc1 ZINC000014923052 553521478 /nfs/dbraw/zinc/52/14/78/553521478.db2.gz KXYGHNMBVPYNLS-IJXFDLHGSA-N 0 0 512.609 6.347 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(O)cc3)c3ccccc32)cc1 ZINC000014923063 553521507 /nfs/dbraw/zinc/52/15/07/553521507.db2.gz SECIRJFRTAQPAU-OTDFFUQNSA-N 0 0 514.581 5.744 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccc(O)cc4)c4ccccc4C3c3ccccc32)cc1 ZINC000014923071 553521531 /nfs/dbraw/zinc/52/15/31/553521531.db2.gz SECIRJFRTAQPAU-TWJQNCOXSA-N 0 0 514.581 5.744 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000014944113 553521695 /nfs/dbraw/zinc/52/16/95/553521695.db2.gz WWWRZGSZZCSVQG-DVHCVUMVSA-N 0 0 519.594 5.606 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1[C@@H]2c1ccc(O)cc1 ZINC000015080214 553527625 /nfs/dbraw/zinc/52/76/25/553527625.db2.gz HHGVDNGTBOKVHB-NVLPUFGLSA-N 0 0 519.553 5.631 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(/C=N\Cc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133578 553528264 /nfs/dbraw/zinc/52/82/64/553528264.db2.gz LNZXHJMDUKPAMO-WLCUESTESA-N 0 0 518.616 6.662 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C=Nc3ccc(CC)cc3)c3ccccc3C2c2ccccc21 ZINC000015162784 553528402 /nfs/dbraw/zinc/52/84/02/553528402.db2.gz RTEUEDCLLRKRJV-SOBWUQEYSA-N 0 0 526.636 6.601 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c(OC)c1OC ZINC000015945587 553544070 /nfs/dbraw/zinc/54/40/70/553544070.db2.gz LSRLWEZLFCIUQL-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1OC ZINC000016037268 553552329 /nfs/dbraw/zinc/55/23/29/553552329.db2.gz GMRFUVVWFGGPMV-ZXKUECJGSA-N 0 0 519.645 6.016 50 30 KKEARN CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12C[N@H+](Cc1cc(C(=O)[O-])cs1)C[C@H]2c1ccc(C#N)cc1 ZINC000016052171 553555175 /nfs/dbraw/zinc/55/51/75/553555175.db2.gz NXNKJLOEGWSJGI-BKMJKUGQSA-N 0 0 555.443 5.062 50 30 in-vivo KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000016185237 553555968 /nfs/dbraw/zinc/55/59/68/553555968.db2.gz MDQHJBUFRVCQGI-SMTACHQSSA-N 0 0 515.104 5.951 50 30 KKEARN C=CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000016346369 553560622 /nfs/dbraw/zinc/56/06/22/553560622.db2.gz WAORUPGDWDWUNR-UHFFFAOYSA-N 0 0 504.037 5.498 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]3c2ccc(C)o2)ccc1OC(C)C ZINC000016426466 553563214 /nfs/dbraw/zinc/56/32/14/553563214.db2.gz IWBKTFLUPHSHET-ZQLNOWDWSA-N 0 0 535.637 5.468 50 30 KKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000016478243 553565885 /nfs/dbraw/zinc/56/58/85/553565885.db2.gz XNQHANOJPICOGL-IANOAQMISA-N 0 0 510.593 7.647 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016490459 553566377 /nfs/dbraw/zinc/56/63/77/553566377.db2.gz KCTWWZHQZFDWGX-SANMLTNESA-N 0 0 529.127 5.678 50 30 KKEARN O=[N+]([O-])c1cc(Cl)c(Cl)c(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)c1 ZINC000016671635 553571446 /nfs/dbraw/zinc/57/14/46/553571446.db2.gz VRYWZAWAFCHOFW-BRJLIKDPSA-N 0 0 505.341 5.406 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c1 ZINC000016713543 553575150 /nfs/dbraw/zinc/57/51/50/553575150.db2.gz CZJVBSRPSABCMV-BWAHOGKJSA-N 0 0 519.692 6.040 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729749 553575990 /nfs/dbraw/zinc/57/59/90/553575990.db2.gz UZUKVNSHNBZMPL-QFIPXVFZSA-N 0 0 504.608 5.743 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729976 553576061 /nfs/dbraw/zinc/57/60/61/553576061.db2.gz WQOMZOBWYCOEJQ-MUUNZHRXSA-N 0 0 533.621 6.280 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016729918 553576074 /nfs/dbraw/zinc/57/60/74/553576074.db2.gz PTZZGIKQEHVYOC-NDEPHWFRSA-N 0 0 533.621 6.425 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016730024 553576329 /nfs/dbraw/zinc/57/63/29/553576329.db2.gz IALZFGZBKJIVTJ-MUUNZHRXSA-N 0 0 533.621 6.425 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731208 553577094 /nfs/dbraw/zinc/57/70/94/553577094.db2.gz AXAAQKKDUDQNFA-MUUNZHRXSA-N 0 0 524.548 5.587 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732195 553577512 /nfs/dbraw/zinc/57/75/12/553577512.db2.gz TWEUBJAMCDYOIC-QFIPXVFZSA-N 0 0 506.580 5.234 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000016732870 553577669 /nfs/dbraw/zinc/57/76/69/553577669.db2.gz LSIKJSKWULXLQP-CUBQBAPOSA-N 0 0 537.653 5.810 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000016732879 553577727 /nfs/dbraw/zinc/57/77/27/553577727.db2.gz LSIKJSKWULXLQP-UFHPHHKVSA-N 0 0 537.653 5.810 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733188 553577877 /nfs/dbraw/zinc/57/78/77/553577877.db2.gz NKEAFJSBHRCHAZ-HSZRJFAPSA-N 0 0 512.393 5.423 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016741414 553579713 /nfs/dbraw/zinc/57/97/13/553579713.db2.gz SHDUSANTIQGSEP-HOFKKMOUSA-N 0 0 513.546 5.007 50 30 KKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016977148 553586087 /nfs/dbraw/zinc/58/60/87/553586087.db2.gz MOBCATQFZRZFEZ-LJAQVGFWSA-N 0 0 513.594 7.188 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000017028936 553586816 /nfs/dbraw/zinc/58/68/16/553586816.db2.gz VECBMELOEXSNLQ-OLILMLBXSA-N 0 0 513.550 5.533 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000017042844 553587137 /nfs/dbraw/zinc/58/71/37/553587137.db2.gz QDEIVCZTHRBAPE-OOXUFLSTSA-N 0 0 514.625 7.186 50 30 KKEARN O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000017177774 553589866 /nfs/dbraw/zinc/58/98/66/553589866.db2.gz KHTDXQUKGHSXRB-IBGZPJMESA-N 0 0 512.404 5.941 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017180598 553590090 /nfs/dbraw/zinc/59/00/90/553590090.db2.gz MGHDMBCUSLJKNJ-MUUNZHRXSA-N 0 0 515.997 6.634 50 30 KKEARN Cc1ccc(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576135 553591163 /nfs/dbraw/zinc/59/11/63/553591163.db2.gz ZWQBGQUZKUXYAV-GXSJLCMTSA-N 0 0 585.210 6.806 50 30 KKEARN CC(C)c1ccc(-c2c3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3nc(N)c2C#N)cc1 ZINC000020130958 553591432 /nfs/dbraw/zinc/59/14/32/553591432.db2.gz OBMMGDPLDAUCBT-UHFFFAOYSA-N 0 0 506.429 6.138 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000020150235 553595186 /nfs/dbraw/zinc/59/51/86/553595186.db2.gz VZGGEGSYAFQCEY-UHFFFAOYSA-N 0 0 508.033 7.031 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070669835 553599201 /nfs/dbraw/zinc/59/92/01/553599201.db2.gz CDQMFMRWVGTBOW-NZCIIWOSSA-N 0 0 586.857 9.088 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070669834 553599250 /nfs/dbraw/zinc/59/92/50/553599250.db2.gz CDQMFMRWVGTBOW-VXGYQWQSSA-N 0 0 586.857 9.088 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Br)cc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070669842 553599267 /nfs/dbraw/zinc/59/92/67/553599267.db2.gz NKSQQJAYNSNXJQ-OYWUMMIRSA-N 0 0 635.727 9.842 50 30 biogenic KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C(=O)Nc2ncccc2C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000017731157 553599527 /nfs/dbraw/zinc/59/95/27/553599527.db2.gz PSJCXRVRQDZKOC-DJUQAAIZSA-N 0 0 564.089 6.538 50 30 KKEARN Cc1cccc(CCNC(=O)c2ccc3nc(CC(=O)c4ccc(C5CCCCC5)cc4)c(=O)[nH]c3c2)c1 ZINC000020156505 553600246 /nfs/dbraw/zinc/60/02/46/553600246.db2.gz KHMKFUKZMMGNCV-BRPDVVIDSA-N 0 0 507.634 6.146 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000020157754 553600350 /nfs/dbraw/zinc/60/03/50/553600350.db2.gz LXMCPZUMZWAMTA-JLIJSXKNSA-N 0 0 521.657 6.969 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070670144 553600633 /nfs/dbraw/zinc/60/06/33/553600633.db2.gz RSJHOOMZERZSPH-WYOOIXGGSA-N 0 0 554.687 7.193 50 30 biogenic KKEARN CCCCCCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000070671665 553600882 /nfs/dbraw/zinc/60/08/82/553600882.db2.gz RLUWEDUUYKGLSD-YDDKNALCSA-N 0 0 543.701 6.219 50 30 biogenic KKEARN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)C1c3ccccc3C2c2ccccc21 ZINC000018066179 553602865 /nfs/dbraw/zinc/60/28/65/553602865.db2.gz KXVFZDOLQHTRMD-NPCTUYCGSA-N 0 0 513.380 6.480 50 30 KKEARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000018081339 553603582 /nfs/dbraw/zinc/60/35/82/553603582.db2.gz VDYVSKCASBARBX-OGLMXYFKSA-N 0 0 514.094 7.474 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(O)cc2)cc1OC ZINC000018084627 553603673 /nfs/dbraw/zinc/60/36/73/553603673.db2.gz AIHSZONOIAHCDV-YKGWIAGDSA-N 0 0 524.617 5.718 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000018107018 553604374 /nfs/dbraw/zinc/60/43/74/553604374.db2.gz WWLRNSANICBSJO-MUUNZHRXSA-N 0 0 515.997 6.634 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)ccc3OC)C4=O)c2c1 ZINC000070680936 553604688 /nfs/dbraw/zinc/60/46/88/553604688.db2.gz ZDPYYPGJAVGCSH-LQNQUEJISA-N 0 0 562.574 7.351 50 30 biogenic KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)c(OC)c3)C4=O)c2c1 ZINC000070681085 553604840 /nfs/dbraw/zinc/60/48/40/553604840.db2.gz DVSXCZDOVWGGJQ-MWLSYYOVSA-N 0 0 548.547 6.961 50 30 biogenic KKEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)c1 ZINC000070680971 553604855 /nfs/dbraw/zinc/60/48/55/553604855.db2.gz SLZIQMBQEGCMGP-ACXHZZMFSA-N 0 0 562.574 7.173 50 30 biogenic KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1cccc(Cl)c1C)cn2C ZINC000020183354 553604941 /nfs/dbraw/zinc/60/49/41/553604941.db2.gz HXVXRRLGVXWPBC-YSMPRRRNSA-N 0 0 520.124 5.271 50 30 KKEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)c(OC)c1 ZINC000070686461 553605281 /nfs/dbraw/zinc/60/52/81/553605281.db2.gz ADOOHBLNWDOARI-BVMLUPFRSA-N 0 0 562.574 7.173 50 30 biogenic KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000020190683 553605612 /nfs/dbraw/zinc/60/56/12/553605612.db2.gz XDBCDFBHLIPMFE-HRFSGMKKSA-N 0 0 507.652 5.362 50 30 KKEARN COc1ccc(OCc2cc([C@@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1 ZINC000018144015 553606275 /nfs/dbraw/zinc/60/62/75/553606275.db2.gz HSVMTXJBSGIULT-SSEXGKCCSA-N 0 0 539.632 5.593 50 30 KKEARN CCOc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1OCc1ccccc1 ZINC000018158531 553606630 /nfs/dbraw/zinc/60/66/30/553606630.db2.gz DVVYVXLQYWAAGB-UZWMFBFFSA-N 0 0 516.707 7.418 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000018165065 553606871 /nfs/dbraw/zinc/60/68/71/553606871.db2.gz QEYZTSBBFRRISY-LWEPUTRXSA-N 0 0 512.609 6.211 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000018168438 553606875 /nfs/dbraw/zinc/60/68/75/553606875.db2.gz CMHWGKOEYSRLAE-PMERELPUSA-N 0 0 508.618 6.189 50 30 KKEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000018195390 553608641 /nfs/dbraw/zinc/60/86/41/553608641.db2.gz YJOGXCIDSALQIF-MHZLTWQESA-N 0 0 521.617 5.954 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/N=C5/CC[C@@]6(C)[C@H](CC[C@H]7[C@@H]8CC[C@H](O)[C@@]8(C)CC[C@@H]76)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000070691961 553608771 /nfs/dbraw/zinc/60/87/71/553608771.db2.gz IFKAXOWEFYVMHY-DAPIIQEQSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(OCc4ccccc4)c3)C2)cc1OC ZINC000018198497 553609446 /nfs/dbraw/zinc/60/94/46/553609446.db2.gz XPZWMYITNWDAMM-MNNSJKJDSA-N 0 0 508.578 5.290 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Oc4ccccc4)c3)C2)cc(OC)c1OC ZINC000018198537 553609477 /nfs/dbraw/zinc/60/94/77/553609477.db2.gz ATPGHVRKSIYMRD-GDJIYFAZSA-N 0 0 524.577 5.512 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018198298 553609503 /nfs/dbraw/zinc/60/95/03/553609503.db2.gz XXAXFVWSPQYGRK-MCMMXHMISA-N 0 0 501.370 5.026 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)/C=C/c3ccc(OC)cc3)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070692140 553609608 /nfs/dbraw/zinc/60/96/08/553609608.db2.gz BTKOBXLKOUNJAZ-MWNUDTEGSA-N 0 0 602.900 9.270 50 30 biogenic KKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000018199786 553610069 /nfs/dbraw/zinc/61/00/69/553610069.db2.gz QIMSLYANXWKXJG-QMHKHESXSA-N 0 0 506.056 6.096 50 30 KKEARN O=C1C[C@H](c2cccs2)CC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000018199782 553610082 /nfs/dbraw/zinc/61/00/82/553610082.db2.gz QIMSLYANXWKXJG-WAIKUNEKSA-N 0 0 506.056 6.096 50 30 KKEARN C[C@@H](C(=O)Oc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000018205233 553610213 /nfs/dbraw/zinc/61/02/13/553610213.db2.gz DJXYBWQDRIAXEV-XRHLQHRESA-N 0 0 572.617 5.214 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692237 553610311 /nfs/dbraw/zinc/61/03/11/553610311.db2.gz SZJMBFDWIKYQBS-AENINSBXSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccs2)cc1OC ZINC000018209222 553610494 /nfs/dbraw/zinc/61/04/94/553610494.db2.gz IELDSQJFOKRGPB-AFJIDDCJSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000018230061 553611009 /nfs/dbraw/zinc/61/10/09/553611009.db2.gz LOPTZOYEUNSOKT-DCBAJMHUSA-N 0 0 514.434 6.163 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCCCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692331 553611146 /nfs/dbraw/zinc/61/11/46/553611146.db2.gz MYXARPZDZKVPTQ-BSQZNYRKSA-N 0 0 528.862 10.808 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000018250758 553611528 /nfs/dbraw/zinc/61/15/28/553611528.db2.gz QPJFBALCNWJORW-JPZYQRIQSA-N 0 0 527.596 7.215 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000018250747 553611554 /nfs/dbraw/zinc/61/15/54/553611554.db2.gz BYKKQESTNQHJKV-JIYROHSKSA-N 0 0 512.625 7.315 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000018250723 553611576 /nfs/dbraw/zinc/61/15/76/553611576.db2.gz LWWZDGPEXWLRMU-HFJWLAOPSA-N 0 0 510.487 6.297 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770462 553616096 /nfs/dbraw/zinc/61/60/96/553616096.db2.gz LNVGPQZWGATCEC-OUTSHDOLSA-N 0 0 508.574 5.742 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000019770170 553616125 /nfs/dbraw/zinc/61/61/25/553616125.db2.gz ZEVHMAXLBCHXNY-DWACAAAGSA-N 0 0 515.009 5.719 50 30 KKEARN COc1cc(C(=O)Oc2c(Cl)cc(Cl)cc2/C=N\c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000020224123 553616378 /nfs/dbraw/zinc/61/63/78/553616378.db2.gz XTGQOMLYELWPJQ-ZRGSRPPYSA-N 0 0 505.310 5.897 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000019798119 553617041 /nfs/dbraw/zinc/61/70/41/553617041.db2.gz TYHOVSBNNAEAEO-QHCPKHFHSA-N 0 0 516.432 5.658 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000019804519 553617473 /nfs/dbraw/zinc/61/74/73/553617473.db2.gz RETWXHMPEDLMPJ-XMMPIXPASA-N 0 0 519.956 5.808 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000019804552 553617590 /nfs/dbraw/zinc/61/75/90/553617590.db2.gz IDZLJFCXPXKTBB-DEOSSOPVSA-N 0 0 506.385 6.314 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000019804579 553617678 /nfs/dbraw/zinc/61/76/78/553617678.db2.gz GJHXNCDBOVBURW-DEOSSOPVSA-N 0 0 506.385 6.314 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019806071 553617758 /nfs/dbraw/zinc/61/77/58/553617758.db2.gz CIMUJSITVYCXNO-NGQVCNFZSA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc(C(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000019831739 553622960 /nfs/dbraw/zinc/62/29/60/553622960.db2.gz QSCYQFULVMHIMI-XCZPVHLTSA-N 0 0 505.570 5.957 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000019848856 553623808 /nfs/dbraw/zinc/62/38/08/553623808.db2.gz HFIQWQANEHIAQI-VUMVONDWSA-N 0 0 517.569 5.851 50 30 KKEARN N#Cc1cc2c(N)c(C(=O)Nc3ccccc3SCc3cccc(Br)c3)sc2nc1N ZINC000019852194 553624079 /nfs/dbraw/zinc/62/40/79/553624079.db2.gz MWAKCFNVZSZUKY-UHFFFAOYSA-N 0 0 510.442 5.639 50 30 KKEARN C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1=CCCCC1 ZINC000070705607 553625848 /nfs/dbraw/zinc/62/58/48/553625848.db2.gz YLDXDJDYDUJIIP-ZTULCJFRSA-N 0 0 553.740 5.149 50 30 biogenic KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857830 553628947 /nfs/dbraw/zinc/62/89/47/553628947.db2.gz CSRXMRIKQNNVHE-NLSFWIRASA-N 0 0 511.615 5.381 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000019866318 553629168 /nfs/dbraw/zinc/62/91/68/553629168.db2.gz OLYCJGXCIYPNTA-UHFFFAOYSA-N 0 0 505.636 5.428 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019880614 553629303 /nfs/dbraw/zinc/62/93/03/553629303.db2.gz NEYBMRWJRMEGLA-DWACAAAGSA-N 0 0 501.623 5.592 50 30 biogenic KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000019881035 553629504 /nfs/dbraw/zinc/62/95/04/553629504.db2.gz ZJNRULCCWZBPKR-DWACAAAGSA-N 0 0 503.595 5.181 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC#N ZINC000020271450 553630690 /nfs/dbraw/zinc/63/06/90/553630690.db2.gz QAEMEOFEVULBTD-UHFFFAOYSA-N 0 0 513.432 5.333 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000019892403 553630828 /nfs/dbraw/zinc/63/08/28/553630828.db2.gz UBVOOTCRDMBWPR-ACSYHNTCSA-N 0 0 535.637 5.426 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000019892637 553631110 /nfs/dbraw/zinc/63/11/10/553631110.db2.gz XKHBEVUNBSZZQV-DCFHFQCYSA-N 0 0 525.642 5.501 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCC ZINC000019892656 553631321 /nfs/dbraw/zinc/63/13/21/553631321.db2.gz COBTUHVYPXYGSR-KCWXNJEJSA-N 0 0 535.637 5.044 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000019892714 553631325 /nfs/dbraw/zinc/63/13/25/553631325.db2.gz OXIXMDMLCJOISA-SKCUWOTOSA-N 0 0 521.679 5.670 50 30 KKEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000070712407 553634252 /nfs/dbraw/zinc/63/42/52/553634252.db2.gz RRLQCDVGNBTFIN-NTFJREMNSA-N 0 0 566.739 5.069 50 30 biogenic KKEARN N#Cc1c2c(sc1NC(=O)COC(=O)CSc1nc(-c3ccccc3)cc(-c3ccccc3)n1)CCCC2 ZINC000071281775 553634553 /nfs/dbraw/zinc/63/45/53/553634553.db2.gz UVOFFIFUGBNYOK-UHFFFAOYSA-N 0 0 540.670 5.897 50 30 KKEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000020309258 553636464 /nfs/dbraw/zinc/63/64/64/553636464.db2.gz YACUQUCAIUYUEH-OAQYLSRUSA-N 0 0 521.839 5.118 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020322605 553637936 /nfs/dbraw/zinc/63/79/36/553637936.db2.gz GIZCCLNHARMUOO-QMTYFTJSSA-N 0 0 519.981 5.887 50 30 KKEARN N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020358179 553642666 /nfs/dbraw/zinc/64/26/66/553642666.db2.gz GIZVNWHFPAEAAY-UHFFFAOYSA-N 0 0 519.432 6.344 50 30 KKEARN O=C(CN1C(C(=O)c2ccccc2)=C(Nc2ccc(Cl)cc2)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000072189962 553645950 /nfs/dbraw/zinc/64/59/50/553645950.db2.gz YEBAMTJMZLNMIS-UHFFFAOYSA-N 0 0 574.014 5.799 50 30 KKEARN COc1c2c(cc3c1[C@H](C#CCOc1ccc(-c4nnc(Cl)c5ccccc54)cc1)N(C)CC3)OCO2 ZINC000020410603 553646042 /nfs/dbraw/zinc/64/60/42/553646042.db2.gz XRBKGFKMKWDUBN-QHCPKHFHSA-N 0 0 513.981 5.299 50 30 biogenic KKEARN N#Cc1c2c(sc1NC(=O)c1ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)nc1)CCCCC2 ZINC000020479493 553657735 /nfs/dbraw/zinc/65/77/35/553657735.db2.gz IRSJTHWSEZBFON-UHFFFAOYSA-N 0 0 515.664 5.990 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)c2oc3ccccc3c2C)cc1 ZINC000020024930 553663449 /nfs/dbraw/zinc/66/34/49/553663449.db2.gz WIYDVZROGPMCRM-UHFFFAOYSA-N 0 0 527.573 5.654 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000020034844 553667399 /nfs/dbraw/zinc/66/73/99/553667399.db2.gz BMSQWHSTVUNRHJ-UHFFFAOYSA-N 0 0 517.641 6.777 50 30 KKEARN C=C(C)COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1OC ZINC000079190222 553667802 /nfs/dbraw/zinc/66/78/02/553667802.db2.gz MGKSBONDQRXJKL-UHFFFAOYSA-N 0 0 527.621 7.246 50 30 biogenic KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079216780 553671243 /nfs/dbraw/zinc/67/12/43/553671243.db2.gz HHFOUNVSLCIOMO-NXQRXLIQSA-N 0 0 661.880 6.175 50 30 biogenic KKEARN C=C(C)COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC ZINC000079501263 553672782 /nfs/dbraw/zinc/67/27/82/553672782.db2.gz WXZYGOXKIDUEAH-UHFFFAOYSA-N 0 0 513.594 6.855 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000020572185 553674264 /nfs/dbraw/zinc/67/42/64/553674264.db2.gz AEBJBIXMTVATRW-IYBDPMFKSA-N 0 0 526.753 5.893 50 30 KKEARN Cc1ccc(CN2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000020103747 553687928 /nfs/dbraw/zinc/68/79/28/553687928.db2.gz OYMZYDDUAIVQPS-UHFFFAOYSA-N 0 0 533.068 7.442 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000089853207 553694378 /nfs/dbraw/zinc/69/43/78/553694378.db2.gz LJJHGWWMVVRJNX-UHFFFAOYSA-N 0 0 521.067 5.972 50 30 KKEARN COc1c2c(cc3c1[C@@H](C#CCNc1ccc(Sc4ccc([N+](=O)[O-])cc4)cc1)N(C)CC3)OCO2 ZINC000020113554 553695352 /nfs/dbraw/zinc/69/53/52/553695352.db2.gz XXYBHYHMPREZJY-HSZRJFAPSA-N 0 0 503.580 5.128 50 30 biogenic KKEARN COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1Br ZINC000020115380 553696936 /nfs/dbraw/zinc/69/69/36/553696936.db2.gz IUUPVYVBDYNIRY-ODPUSEOTSA-N 0 0 506.234 6.695 50 30 KKEARN CCN1C/C(=C\c2ccc(Br)cc2OC)C(=O)/C(=C/c2ccc(Br)cc2OC)C1 ZINC000020115564 553697111 /nfs/dbraw/zinc/69/71/11/553697111.db2.gz DVCAWJAPHBMGCZ-BEQMOXJMSA-N 0 0 521.249 5.600 50 30 KKEARN Ic1cccc(CN=Nc2nc(N=NCc3cccc(I)c3)nc(N(c3ccccc3)c3ccccc3)n2)c1 ZINC000095100416 553698981 /nfs/dbraw/zinc/69/89/81/553698981.db2.gz IDXRGAHDNHEGDN-CRDPYYQKSA-N 0 0 736.359 7.443 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1OC ZINC000020850680 553699864 /nfs/dbraw/zinc/69/98/64/553699864.db2.gz PIUQVMGRQUSHGE-RUZDIDTESA-N 0 0 504.656 5.863 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000020850554 553699881 /nfs/dbraw/zinc/69/98/81/553699881.db2.gz AAVONNBNYWUGAB-OAQYLSRUSA-N 0 0 503.430 6.674 50 30 KKEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1OC ZINC000020850481 553699937 /nfs/dbraw/zinc/69/99/37/553699937.db2.gz IDUZQVUJHBQDJP-XMMPIXPASA-N 0 0 508.619 5.775 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccs5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471796 553701338 /nfs/dbraw/zinc/70/13/38/553701338.db2.gz TWBQBOOSMWSGJQ-PMTXFNEQSA-N 0 0 534.850 9.201 50 30 KKEARN CC(=O)Nc1ccc2onc(CSc3nc(-c4cccs4)cc(-c4ccc(Cl)cc4)c3C#N)c2c1 ZINC000095482011 553702095 /nfs/dbraw/zinc/70/20/95/553702095.db2.gz XVHHPMAVLBLPGG-UHFFFAOYSA-N 0 0 517.035 7.394 50 30 KKEARN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1cc(OC)c(O)cc1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000095606301 553705619 /nfs/dbraw/zinc/70/56/19/553705619.db2.gz IITCVPTZKLXSKQ-WLDYDBGISA-N 0 0 754.614 5.349 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)[C@@H](Sc1nnnn1-c1ccccc1)C2 ZINC000095660883 553706751 /nfs/dbraw/zinc/70/67/51/553706751.db2.gz VGJZRWUMCGDMEB-VWLOTQADSA-N 0 0 505.688 6.421 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2c(c1)Cc1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-2 ZINC000095676417 553707278 /nfs/dbraw/zinc/70/72/78/553707278.db2.gz LVAIJAGHXMDYJT-UHFFFAOYSA-N 0 0 790.441 7.605 50 30 KKEARN CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671302 553707289 /nfs/dbraw/zinc/70/72/89/553707289.db2.gz QHOQQFYKDKRESO-UHFFFAOYSA-N 0 0 560.332 9.527 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)C(F)(F)F)C1(F)F ZINC000095681828 553707811 /nfs/dbraw/zinc/70/78/11/553707811.db2.gz KJWVJLNGXBWWIH-WBKLENSSSA-N 0 0 566.076 6.920 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(F)F ZINC000095681845 553707818 /nfs/dbraw/zinc/70/78/18/553707818.db2.gz ANARGVKRHRBDMP-OCAPTIKFSA-N 0 0 632.082 7.487 50 30 KKEARN OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681842 553707826 /nfs/dbraw/zinc/70/78/26/553707826.db2.gz FLXYIZWPNQYPIT-UHFFFAOYSA-N 0 0 564.129 6.649 50 30 KKEARN OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681763 553707828 /nfs/dbraw/zinc/70/78/28/553707828.db2.gz RRPJMPARBFYNMD-UHFFFAOYSA-N 0 0 514.122 6.014 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C1(F)F ZINC000095681846 553707839 /nfs/dbraw/zinc/70/78/39/553707839.db2.gz ANARGVKRHRBDMP-HTQZYQBOSA-N 0 0 632.082 7.487 50 30 KKEARN CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095682022 553707956 /nfs/dbraw/zinc/70/79/56/553707956.db2.gz UXLQPBDURFGMNM-UHFFFAOYSA-N 0 0 638.762 9.346 50 30 KKEARN F[C@@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681849 553707988 /nfs/dbraw/zinc/70/79/88/553707988.db2.gz QRLOKTBZZPZAMX-CGYSBWGFSA-N 0 0 618.080 7.326 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095682031 553708287 /nfs/dbraw/zinc/70/82/87/553708287.db2.gz POFXNOHVAKKASZ-PQLUHFTBSA-N 0 0 676.116 6.870 50 30 KKEARN FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095707736 553709409 /nfs/dbraw/zinc/70/94/09/553709409.db2.gz JOQDDLBOAIKFQX-UHFFFAOYSA-N 0 0 553.850 5.583 50 30 KKEARN COC(=O)c1c(NC(=O)ONC(=N)c2c(Cl)cccc2Cl)onc1-c1c(Cl)cccc1Cl ZINC000095722972 553710289 /nfs/dbraw/zinc/71/02/89/553710289.db2.gz SDMQUZJLWKNGFB-UHFFFAOYSA-N 0 0 518.140 5.611 50 30 KKEARN CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000095722740 553710318 /nfs/dbraw/zinc/71/03/18/553710318.db2.gz DVSHMKCJBVDBAR-UHFFFAOYSA-N 0 0 538.641 8.353 50 30 KKEARN C=C1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000095725709 553710761 /nfs/dbraw/zinc/71/07/61/553710761.db2.gz DUIVQXUKNFVVQW-UNMGZEBXSA-N 0 0 578.573 5.390 50 30 KKEARN O=S(=O)(NCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742711 553712199 /nfs/dbraw/zinc/71/21/99/553712199.db2.gz ATZVCEOSVRNPTR-UHFFFAOYSA-N 0 0 612.414 5.019 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)n2Cc1cccc(F)c1 ZINC000096280159 553736829 /nfs/dbraw/zinc/73/68/29/553736829.db2.gz CYAGPHWBCIENQF-UHFFFAOYSA-N 0 0 524.596 5.514 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000096287559 553738932 /nfs/dbraw/zinc/73/89/32/553738932.db2.gz URLOGWBPVFWANH-QHCPKHFHSA-N 0 0 515.462 5.888 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccs3)cc2)c1 ZINC000096295713 553748317 /nfs/dbraw/zinc/74/83/17/553748317.db2.gz VRVBQWCBGWJYGO-AREMUKBSSA-N 0 0 513.619 5.501 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000096317088 553749872 /nfs/dbraw/zinc/74/98/72/553749872.db2.gz MRAFLAQWPUQROE-ACSYHNTCSA-N 0 0 533.621 5.265 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/[C@H](c1ccccc1)[C@@H](/N=C/c1c(O)ccc2ccccc21)c1ccccc1 ZINC000096569875 553755822 /nfs/dbraw/zinc/75/58/22/553755822.db2.gz XZHFWJJEJMNIAF-RPCFCHPGSA-N 0 0 520.632 8.425 50 30 KKEARN FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000022834443 553756548 /nfs/dbraw/zinc/75/65/48/553756548.db2.gz YKWSFCFKKLAKJH-UHFFFAOYSA-N 0 0 510.409 7.487 50 30 KKEARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000096803907 553757476 /nfs/dbraw/zinc/75/74/76/553757476.db2.gz XRWBCNLASUTYFU-VVCQNSFQSA-N 0 0 526.637 5.899 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N2CC(C)C)cc1 ZINC000096936323 553758192 /nfs/dbraw/zinc/75/81/92/553758192.db2.gz CUDLSZJJLINZPZ-CCSBIKQSSA-N 0 0 501.435 7.522 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2)cc1OC ZINC000097759508 553759389 /nfs/dbraw/zinc/75/93/89/553759389.db2.gz VSZHBFYTEUTPMS-IOYDYCAWSA-N 0 0 524.042 5.560 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2)cc1OC ZINC000097759507 553759398 /nfs/dbraw/zinc/75/93/98/553759398.db2.gz VSZHBFYTEUTPMS-FJOMVMCCSA-N 0 0 524.042 5.560 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000097939626 553759971 /nfs/dbraw/zinc/75/99/71/553759971.db2.gz XOCLGPRHSZFPMO-DNOBIOAJSA-N 0 0 534.008 5.306 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000097939624 553759988 /nfs/dbraw/zinc/75/99/88/553759988.db2.gz XOCLGPRHSZFPMO-XRHLQHRESA-N 0 0 534.008 5.306 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939746 553761029 /nfs/dbraw/zinc/76/10/29/553761029.db2.gz ZTAKJJSTPDDYMB-GHRAFVERSA-N 0 0 583.681 6.356 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2c(F)cccc2Cl)cc1OC ZINC000097939802 553761276 /nfs/dbraw/zinc/76/12/76/553761276.db2.gz GOLWPXKITFQQCE-PLTNMMHCSA-N 0 0 561.053 6.805 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939824 553761626 /nfs/dbraw/zinc/76/16/26/553761626.db2.gz AOLCVPZGVWUFSG-IANOAQMISA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000097939806 553761629 /nfs/dbraw/zinc/76/16/29/553761629.db2.gz VUZAVRPTVNABEB-URAOTHONSA-N 0 0 592.614 6.732 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000097939852 553761834 /nfs/dbraw/zinc/76/18/34/553761834.db2.gz HDZQJPSEHOUXKQ-WENCNXQZSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939862 553761847 /nfs/dbraw/zinc/76/18/47/553761847.db2.gz UZSLDONIGZVZEZ-GFJKYASSSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000097939867 553761879 /nfs/dbraw/zinc/76/18/79/553761879.db2.gz CWVPMTMJJXZOFQ-DFXYEROKSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939864 553761902 /nfs/dbraw/zinc/76/19/02/553761902.db2.gz UZSLDONIGZVZEZ-XFSFLGPDSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939888 553762150 /nfs/dbraw/zinc/76/21/50/553762150.db2.gz OJPYAZCYSYBJHQ-GPNASLBKSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000097939868 553762153 /nfs/dbraw/zinc/76/21/53/553762153.db2.gz CWVPMTMJJXZOFQ-IIMAJNMQSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000097939893 553762163 /nfs/dbraw/zinc/76/21/63/553762163.db2.gz ZNRMISXICMWZJA-DFXYEROKSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000097939894 553762176 /nfs/dbraw/zinc/76/21/76/553762176.db2.gz ZNRMISXICMWZJA-IIMAJNMQSA-N 0 0 559.062 6.366 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939885 553762201 /nfs/dbraw/zinc/76/22/01/553762201.db2.gz OJPYAZCYSYBJHQ-BNHRFMORSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000097939907 553762533 /nfs/dbraw/zinc/76/25/33/553762533.db2.gz RBGWZPBVIJVHLZ-BGOLNKOXSA-N 0 0 584.669 5.730 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(OC)c1O ZINC000097939967 553762750 /nfs/dbraw/zinc/76/27/50/553762750.db2.gz LTVWQHUIGZAXHX-WVDZOPJMSA-N 0 0 532.593 5.415 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939937 553762790 /nfs/dbraw/zinc/76/27/90/553762790.db2.gz AZHZUCPLBXNAJN-UVDDSOTQSA-N 0 0 554.643 5.721 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939984 553763012 /nfs/dbraw/zinc/76/30/12/553763012.db2.gz VPDSTZFMMLEODU-IIMAJNMQSA-N 0 0 567.663 6.147 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000097939998 553763026 /nfs/dbraw/zinc/76/30/26/553763026.db2.gz AGPJBRPFKKVLEA-ADKRDUOOSA-N 0 0 609.517 6.862 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2coc3ccc(C)cc3c2=O)c1 ZINC000097939970 553763047 /nfs/dbraw/zinc/76/30/47/553763047.db2.gz OVIDEGAEKATSHU-SMSORMJASA-N 0 0 557.643 5.440 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000097940006 553763344 /nfs/dbraw/zinc/76/33/44/553763344.db2.gz GCEOMUVANKVBLZ-JRLVAEJTSA-N 0 0 549.689 5.175 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000097939999 553763350 /nfs/dbraw/zinc/76/33/50/553763350.db2.gz AGPJBRPFKKVLEA-CQGGRAHPSA-N 0 0 609.517 6.862 50 30 KKEARN Cc1cc(I)ccc1NC(=O)CSc1nsc(SCC(=O)Nc2ccc(I)cc2C)c1C#N ZINC000097940201 553763824 /nfs/dbraw/zinc/76/38/24/553763824.db2.gz FXHGSUCJQMSAOK-UHFFFAOYSA-N 0 0 720.421 6.302 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nsc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000097940249 553764028 /nfs/dbraw/zinc/76/40/28/553764028.db2.gz UFDLVZPYQIUFNE-UHFFFAOYSA-N 0 0 576.569 6.514 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)cc(Cl)c2F)c1-c1ccc(C#N)cc1 ZINC000097940455 553765119 /nfs/dbraw/zinc/76/51/19/553765119.db2.gz NMSJDIFXWRIQLP-UHFFFAOYSA-N 0 0 543.948 7.880 50 30 KKEARN O=C(Nc1ccccc1)[C@@]1(c2ccccc2)C(=C(Nc2ccccc2)c2ccccc2)C(=O)C(=O)N1c1ccccc1 ZINC000097944321 553769093 /nfs/dbraw/zinc/76/90/93/553769093.db2.gz LLPVJINYXSKAHI-ZXUDIGHNSA-N 0 0 549.630 7.201 50 30 KKEARN COc1ccc(C(=O)C(=CNCCCCCCNC=C(N=Nc2ccccc2)C(=O)c2ccc(OC)cc2)N=Nc2ccccc2)cc1 ZINC000097944444 553769560 /nfs/dbraw/zinc/76/95/60/553769560.db2.gz GBOABFGMWMIORS-XOONFZOHSA-N 0 0 644.776 7.408 50 30 KKEARN c1ccc(CSC(=N\c2ccccc2)/N=C2\SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)cc1 ZINC000097944557 553770138 /nfs/dbraw/zinc/77/01/38/553770138.db2.gz XMCWKKLWDIXPPT-ZYKXGTDRSA-N 0 0 581.770 9.677 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000097944913 553770307 /nfs/dbraw/zinc/77/03/07/553770307.db2.gz NRCQUDKTZSACDW-CJEMJPDDSA-N 0 0 581.565 8.908 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000097945650 553773619 /nfs/dbraw/zinc/77/36/19/553773619.db2.gz PGQPWJLEXVHILY-PRAQEBQASA-N 0 0 533.499 8.211 50 30 KKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097945861 553775206 /nfs/dbraw/zinc/77/52/06/553775206.db2.gz LLYWPZMAOVCHNV-SLGOVJDISA-N 0 0 537.660 7.449 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097945952 553775669 /nfs/dbraw/zinc/77/56/69/553775669.db2.gz ZKSZHNLBXARCAH-WNSROMTISA-N 0 0 539.695 7.619 50 30 KKEARN COc1ccc(/C=C/C(=O)c2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3)c(OS(=O)(=O)c3ccc(C)cc3)cc2OS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000097945995 553775920 /nfs/dbraw/zinc/77/59/20/553775920.db2.gz XAKPQQMGJGXIFM-AYKLPDECSA-N 0 0 798.888 7.665 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000097946327 553778464 /nfs/dbraw/zinc/77/84/64/553778464.db2.gz OLXIRQJZULGBFC-OFWBYEQRSA-N 0 0 585.770 8.429 50 30 KKEARN Cc1cc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c(C)o1 ZINC000023442415 553779144 /nfs/dbraw/zinc/77/91/44/553779144.db2.gz DYYJXJIZKQCLTL-SSEXGKCCSA-N 0 0 512.654 5.084 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cccc(F)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023445536 553780002 /nfs/dbraw/zinc/78/00/02/553780002.db2.gz MBIHPGRJYDMHLY-PMERELPUSA-N 0 0 512.629 5.013 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000097946526 553780059 /nfs/dbraw/zinc/78/00/59/553780059.db2.gz BNGPDOMDEXMYOZ-XHPQRKPJSA-N 0 0 554.181 8.153 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3ccc(Cl)cc3Cl)cc2)c1 ZINC000023446941 553780601 /nfs/dbraw/zinc/78/06/01/553780601.db2.gz KHRXCGOFMCAUNE-HCGNOCCLSA-N 0 0 523.485 7.372 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000097946719 553781379 /nfs/dbraw/zinc/78/13/79/553781379.db2.gz LNXUSZNRNHEQRW-OSOZLJFVSA-N 0 0 529.625 5.287 50 30 KKEARN O=C(Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097946810 553781838 /nfs/dbraw/zinc/78/18/38/553781838.db2.gz TUMDZUPSGBSWDX-KVSWJAHQSA-N 0 0 564.267 7.717 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450520 553781901 /nfs/dbraw/zinc/78/19/01/553781901.db2.gz FKGHPDICQZACFM-PMERELPUSA-N 0 0 529.084 5.528 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023451850 553782519 /nfs/dbraw/zinc/78/25/19/553782519.db2.gz IARPKEOPFNNOAS-SSEXGKCCSA-N 0 0 530.619 5.153 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947016 553782864 /nfs/dbraw/zinc/78/28/64/553782864.db2.gz LPCFHMIHKISQGH-VNSJDZJPSA-N 0 0 577.942 6.732 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097947493 553786536 /nfs/dbraw/zinc/78/65/36/553786536.db2.gz BRDKEUWKQGAAMA-MDINZUHSSA-N 0 0 688.806 5.639 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947672 553788125 /nfs/dbraw/zinc/78/81/25/553788125.db2.gz OBKWBKOIFPPKHM-UFKHLRDRSA-N 0 0 630.726 5.051 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc([C@@H](C)Oc4cccc(C)c4C)n3C)sc2C1 ZINC000097948080 553790929 /nfs/dbraw/zinc/79/09/29/553790929.db2.gz VQGSFGLKEOILKT-WOJBJXKFSA-N 0 0 551.782 6.777 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000097948216 553792044 /nfs/dbraw/zinc/79/20/44/553792044.db2.gz RFVXWXVSQROETH-UHFFFAOYSA-N 0 0 558.333 8.960 50 30 KKEARN O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000097948523 553794735 /nfs/dbraw/zinc/79/47/35/553794735.db2.gz UELSMCVGHVFTFI-UHFFFAOYSA-N 0 0 578.070 8.068 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3cccc4ccccc43)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025146107 553794989 /nfs/dbraw/zinc/79/49/89/553794989.db2.gz SRBRXEJUIWQKCO-WJOKGBTCSA-N 0 0 505.618 5.436 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025150383 553796470 /nfs/dbraw/zinc/79/64/70/553796470.db2.gz KGQWFMDBACYKBO-XWRATIPRSA-N 0 0 526.658 6.119 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097949113 553799385 /nfs/dbraw/zinc/79/93/85/553799385.db2.gz ZGKYLVPVPXWPCE-FLASPHMUSA-N 0 0 646.794 9.748 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(C(=O)OCCCCCCCC)cc2)c4=O)cc1 ZINC000097949232 553800613 /nfs/dbraw/zinc/80/06/13/553800613.db2.gz POIRVDJNGUGELA-UHFFFAOYSA-N 0 0 680.798 6.925 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc3c(cc2Cl)OCO3)c1-c1ccc(C#N)cc1 ZINC000025159666 553801328 /nfs/dbraw/zinc/80/13/28/553801328.db2.gz HNBMZZKCGXCTTK-UHFFFAOYSA-N 0 0 501.970 6.451 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000097949700 553802848 /nfs/dbraw/zinc/80/28/48/553802848.db2.gz UCOTXERDLCNZKK-UHFFFAOYSA-N 0 0 542.660 7.946 50 30 KKEARN CCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCC)cc3)cc2)cc1 ZINC000097950570 553804801 /nfs/dbraw/zinc/80/48/01/553804801.db2.gz WJBGUYCWAUPZAP-UHFFFAOYSA-N 0 0 546.704 8.823 50 30 KKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950721 553805223 /nfs/dbraw/zinc/80/52/23/553805223.db2.gz LKZFPNGWSQUFIK-OAHLLOKOSA-N 0 0 550.721 5.751 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950763 553805524 /nfs/dbraw/zinc/80/55/24/553805524.db2.gz UWSCEKLINMNTBM-JOCHJYFZSA-N 0 0 648.910 8.481 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097950919 553805975 /nfs/dbraw/zinc/80/59/75/553805975.db2.gz UTTKBDNOVKGEIG-HSZRJFAPSA-N 0 0 553.040 7.885 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000097950887 553805985 /nfs/dbraw/zinc/80/59/85/553805985.db2.gz HOOFETGBYNKMMH-QHCPKHFHSA-N 0 0 507.930 7.399 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000097950916 553805986 /nfs/dbraw/zinc/80/59/86/553805986.db2.gz NAFDEMAXWOZJJC-QFIPXVFZSA-N 0 0 557.459 8.530 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000097950947 553806282 /nfs/dbraw/zinc/80/62/82/553806282.db2.gz NIIHSGVLRSFDCP-JOCHJYFZSA-N 0 0 524.917 7.529 50 30 KKEARN CC(C)c1ccc2c(c1)C(=NNc1ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc1[N+](=O)[O-])C(=O)N2 ZINC000025388526 553806775 /nfs/dbraw/zinc/80/67/75/553806775.db2.gz BJHKTAAVJXGXPF-UHFFFAOYSA-N 0 0 513.963 5.590 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951084 553807003 /nfs/dbraw/zinc/80/70/03/553807003.db2.gz NLQHAQPPHIWWCZ-CDZUIXILSA-N 0 0 514.666 7.685 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000097951307 553808094 /nfs/dbraw/zinc/80/80/94/553808094.db2.gz BKYGTHIHFAFWKC-HKBQPEDESA-N 0 0 517.754 9.055 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCC)cc2)cc1 ZINC000097951363 553808517 /nfs/dbraw/zinc/80/85/17/553808517.db2.gz IEBSEIUXVBQVBO-JDXGNMNLSA-N 0 0 547.493 7.825 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000097951509 553809422 /nfs/dbraw/zinc/80/94/22/553809422.db2.gz ACDLALUMAGIOOG-PBBNMVCDSA-N 0 0 548.605 7.456 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000097951534 553809619 /nfs/dbraw/zinc/80/96/19/553809619.db2.gz QSHGWWUEKKHDEQ-JGCGQSQUSA-N 0 0 547.780 9.063 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC ZINC000097951560 553809656 /nfs/dbraw/zinc/80/96/56/553809656.db2.gz XJBPBSWMWLNJFT-NDEPHWFRSA-N 0 0 501.708 7.470 50 30 KKEARN O=C(NN1/C(=N/c2ccccc2)SC[C@]1(O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000025560351 553810140 /nfs/dbraw/zinc/81/01/40/553810140.db2.gz ZFMFTTPMNRXFML-JSIHEXFSSA-N 0 0 502.821 5.329 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097951665 553810499 /nfs/dbraw/zinc/81/04/99/553810499.db2.gz QXNGXERAVHRNTD-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000097951742 553811185 /nfs/dbraw/zinc/81/11/85/553811185.db2.gz KPWQEDAZPUCXSS-AREMUKBSSA-N 0 0 520.552 8.215 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1C ZINC000025581449 553811697 /nfs/dbraw/zinc/81/16/97/553811697.db2.gz KZDNKOWSOIFMJZ-OVVQPSECSA-N 0 0 523.683 7.127 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000097952013 553812509 /nfs/dbraw/zinc/81/25/09/553812509.db2.gz JWDKPFBJPNGGSQ-OAQYLSRUSA-N 0 0 507.578 5.887 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000025781729 553813481 /nfs/dbraw/zinc/81/34/81/553813481.db2.gz DBXFQSJAKONNMG-OAQYLSRUSA-N 0 0 500.824 5.740 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000025782026 553813551 /nfs/dbraw/zinc/81/35/51/553813551.db2.gz NWUYYCXRSYLJIP-HXUWFJFHSA-N 0 0 506.322 5.470 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000097952212 553813751 /nfs/dbraw/zinc/81/37/51/553813751.db2.gz GXLHTYLBMXMZKJ-LJAQVGFWSA-N 0 0 544.623 5.014 50 30 KKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@H]1/C=C(\Cl)c1ccc(Cl)cc1 ZINC000025782832 553813865 /nfs/dbraw/zinc/81/38/65/553813865.db2.gz YXWCBRDRVXHABN-ILOZNYIISA-N 0 0 510.392 7.931 50 30 in-man KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952231 553814039 /nfs/dbraw/zinc/81/40/39/553814039.db2.gz IXWPOVFFVKJTNE-SANMLTNESA-N 0 0 542.613 5.970 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952240 553814052 /nfs/dbraw/zinc/81/40/52/553814052.db2.gz JWQGZERCBZIDNK-XMMPIXPASA-N 0 0 529.574 5.949 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952244 553814226 /nfs/dbraw/zinc/81/42/26/553814226.db2.gz KZKZGEAIESNBER-RUZDIDTESA-N 0 0 533.049 7.084 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000025844102 553814307 /nfs/dbraw/zinc/81/43/07/553814307.db2.gz HDSYDKLRRAAEIJ-KKOPTWAASA-N 0 0 501.951 7.317 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952282 553814303 /nfs/dbraw/zinc/81/43/03/553814303.db2.gz ODTFGXBFZRAKGI-VWLOTQADSA-N 0 0 533.049 7.082 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952277 553814534 /nfs/dbraw/zinc/81/45/34/553814534.db2.gz DJMKUHYIKDHNGL-AREMUKBSSA-N 0 0 528.630 6.493 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952292 553814846 /nfs/dbraw/zinc/81/48/46/553814846.db2.gz OLKSEXBDGNLRJW-QHCPKHFHSA-N 0 0 549.446 6.413 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000097952349 553815090 /nfs/dbraw/zinc/81/50/90/553815090.db2.gz QLSQEGRSJGJJDI-LJAQVGFWSA-N 0 0 539.584 5.963 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952394 553815400 /nfs/dbraw/zinc/81/54/00/553815400.db2.gz AMYANVBAHHNGTE-SANMLTNESA-N 0 0 528.630 6.493 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000097952408 553815690 /nfs/dbraw/zinc/81/56/90/553815690.db2.gz YLUKYYTVCSATGD-GDLZYMKVSA-N 0 0 539.584 6.050 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097952538 553816634 /nfs/dbraw/zinc/81/66/34/553816634.db2.gz BAEDKALXBVIVJU-HSZRJFAPSA-N 0 0 549.446 6.467 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000097952541 553816692 /nfs/dbraw/zinc/81/66/92/553816692.db2.gz ZTQPLFQBUGFORM-SANMLTNESA-N 0 0 528.630 6.492 50 30 KKEARN Cc1ccc(NC2=C(C(NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1C ZINC000097952662 553817719 /nfs/dbraw/zinc/81/77/19/553817719.db2.gz JUHCKZMZIBXUDP-UHFFFAOYSA-N 0 0 546.939 7.305 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952953 553818148 /nfs/dbraw/zinc/81/81/48/553818148.db2.gz QHYMFADKHGJUSJ-AREMUKBSSA-N 0 0 542.613 5.982 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000097953111 553819504 /nfs/dbraw/zinc/81/95/04/553819504.db2.gz VDOCSMLIMRXFAE-UHFFFAOYSA-N 0 0 515.702 7.026 50 30 KKEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000097953165 553819743 /nfs/dbraw/zinc/81/97/43/553819743.db2.gz JZMUIENNZZUAPC-HSZRJFAPSA-N 0 0 506.050 5.731 50 30 KKEARN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000097953935 553819997 /nfs/dbraw/zinc/81/99/97/553819997.db2.gz BPSQROUOIPXLDH-SANMLTNESA-N 0 0 549.675 5.072 50 30 KKEARN COc1ccc(C(=O)NC(C2=C(Nc3ccc(Cl)cc3)CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000097954048 553820880 /nfs/dbraw/zinc/82/08/80/553820880.db2.gz RFQWGYPXCMOPBL-UHFFFAOYSA-N 0 0 548.911 6.697 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097954112 553821213 /nfs/dbraw/zinc/82/12/13/553821213.db2.gz CSGNTBDHMOTJSV-JPZYQRIQSA-N 0 0 531.608 6.623 50 30 KKEARN C[C@@H](c1ccccc1)N1C(=O)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000097954144 553821605 /nfs/dbraw/zinc/82/16/05/553821605.db2.gz ZFAHBQKFOAPSEY-MQNRADLISA-N 0 0 538.488 5.983 50 30 KKEARN C[C@H](c1ccccc1)N1C(=O)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000097954145 553821633 /nfs/dbraw/zinc/82/16/33/553821633.db2.gz ZFAHBQKFOAPSEY-BZQUYTCOSA-N 0 0 538.488 5.983 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000097954193 553821892 /nfs/dbraw/zinc/82/18/92/553821892.db2.gz SJTHBNNJFSFNRK-AFJIDDCJSA-N 0 0 543.616 5.212 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097954245 553822496 /nfs/dbraw/zinc/82/24/96/553822496.db2.gz KEMIBBGCUJIMDQ-IIMAJNMQSA-N 0 0 539.628 5.795 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097954412 553822901 /nfs/dbraw/zinc/82/29/01/553822901.db2.gz RAPSEPAVQXGILY-URAOTHONSA-N 0 0 541.644 6.366 50 30 KKEARN O=S(=O)(c1ccc(-c2csc(N=NCc3cccc(Oc4ccccc4)c3)n2)cc1)N1CCCC1 ZINC000027020368 553824066 /nfs/dbraw/zinc/82/40/66/553824066.db2.gz JBLLWYJYKLEGQT-OVVQPSECSA-N 0 0 504.637 5.833 50 30 KKEARN O=C(N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000027025537 553824603 /nfs/dbraw/zinc/82/46/03/553824603.db2.gz MLJFBNBXMMWEQP-OJANRJRPSA-N 0 0 512.824 6.791 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097954669 553824615 /nfs/dbraw/zinc/82/46/15/553824615.db2.gz BNHCWUMBPCBROZ-AFJIDDCJSA-N 0 0 545.632 6.205 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097954667 553824793 /nfs/dbraw/zinc/82/47/93/553824793.db2.gz CRDGNEAFCALKMW-GDLZYMKVSA-N 0 0 515.786 9.347 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000097954704 553824977 /nfs/dbraw/zinc/82/49/77/553824977.db2.gz MJMOUHKXEOJDHQ-YTTGMZPUSA-N 0 0 546.796 8.812 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097954767 553825376 /nfs/dbraw/zinc/82/53/76/553825376.db2.gz MVZOSVJOUXKDQR-URAOTHONSA-N 0 0 541.644 6.019 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097954770 553825380 /nfs/dbraw/zinc/82/53/80/553825380.db2.gz MVZOSVJOUXKDQR-DFXYEROKSA-N 0 0 541.644 6.019 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097954768 553825409 /nfs/dbraw/zinc/82/54/09/553825409.db2.gz MVZOSVJOUXKDQR-JRPXNJEYSA-N 0 0 541.644 6.019 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1C=NNc1nc3ccc(Br)cc3cc1-c1ccccc1)OCCO2 ZINC000027469047 553826055 /nfs/dbraw/zinc/82/60/55/553826055.db2.gz MYEUHXQAFFLRCC-WGARJPEWSA-N 0 0 505.328 5.790 50 30 KKEARN COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000027520354 553827041 /nfs/dbraw/zinc/82/70/41/553827041.db2.gz DUUUKBAHKZKRJH-IYOYZZHUSA-N 0 0 505.599 6.891 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955020 553827508 /nfs/dbraw/zinc/82/75/08/553827508.db2.gz LACSRIVUSLOSCQ-UULLZXFKSA-N 0 0 588.657 6.729 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955044 553828002 /nfs/dbraw/zinc/82/80/02/553828002.db2.gz VCPAFSTVRCEUTE-BZQUYTCOSA-N 0 0 528.586 5.425 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955042 553828038 /nfs/dbraw/zinc/82/80/38/553828038.db2.gz VCPAFSTVRCEUTE-MQNRADLISA-N 0 0 528.586 5.425 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2CCc2ccccc2)cc1 ZINC000027522353 553828807 /nfs/dbraw/zinc/82/88/07/553828807.db2.gz XTQXOFNLRZTQIM-FRDMNLSBSA-N 0 0 503.624 5.297 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000027522359 553828822 /nfs/dbraw/zinc/82/88/22/553828822.db2.gz VIYUXGMHULHOPP-WEBDSESRSA-N 0 0 519.623 5.263 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000097955109 553828799 /nfs/dbraw/zinc/82/87/99/553828799.db2.gz CXPUNQIOJNZZPD-HMILPKGGSA-N 0 0 552.696 7.317 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955101 553828845 /nfs/dbraw/zinc/82/88/45/553828845.db2.gz WGCVCFRTSUQHMQ-RKOGDMNLSA-N 0 0 572.639 5.906 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000097955138 553828997 /nfs/dbraw/zinc/82/89/97/553828997.db2.gz YESDDPUHNOZCHV-SSEXGKCCSA-N 0 0 533.628 5.814 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955137 553829060 /nfs/dbraw/zinc/82/90/60/553829060.db2.gz MVMDIRUTSOXQNM-YRVHBCJASA-N 0 0 602.684 6.975 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955153 553829190 /nfs/dbraw/zinc/82/91/90/553829190.db2.gz OQDXHXHTRSTLSH-JRPXNJEYSA-N 0 0 532.596 5.763 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2)cc1 ZINC000027522523 553829346 /nfs/dbraw/zinc/82/93/46/553829346.db2.gz CQTQAYRGTBFJMP-OJEZVBBGSA-N 0 0 503.624 5.297 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955273 553830542 /nfs/dbraw/zinc/83/05/42/553830542.db2.gz XFSIUCDLKCCTKI-UULLZXFKSA-N 0 0 586.641 6.505 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955261 553830639 /nfs/dbraw/zinc/83/06/39/553830639.db2.gz FSWZYYONRZLUSZ-DNOBIOAJSA-N 0 0 538.625 6.276 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955295 553830984 /nfs/dbraw/zinc/83/09/84/553830984.db2.gz XIKOBSVLTLOWBK-WGDIFIGCSA-N 0 0 526.614 6.110 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529812 553831577 /nfs/dbraw/zinc/83/15/77/553831577.db2.gz RZABXKTUVMYLIN-CMJOXMDJSA-N 0 0 505.596 5.132 50 30 KKEARN COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000027531856 553832040 /nfs/dbraw/zinc/83/20/40/553832040.db2.gz VMDDKXWFWGNPGO-LZYBPNLTSA-N 0 0 508.362 5.080 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000027532928 553832060 /nfs/dbraw/zinc/83/20/60/553832060.db2.gz XRJGFYOXKFFWIR-XMMPIXPASA-N 0 0 503.624 5.556 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955673 553832779 /nfs/dbraw/zinc/83/27/79/553832779.db2.gz OIFLNOFYRNDDCH-HPGBDJQBSA-N 0 0 588.657 6.729 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955669 553832787 /nfs/dbraw/zinc/83/27/87/553832787.db2.gz OZCGVPFPLKUTKR-CLYVBNDRSA-N 0 0 540.641 6.418 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000027547461 553832954 /nfs/dbraw/zinc/83/29/54/553832954.db2.gz LOAVHCPECLHPFO-NRFANRHFSA-N 0 0 505.334 6.075 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccs2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547529 553833017 /nfs/dbraw/zinc/83/30/17/553833017.db2.gz HZWQXRGJIAMJCW-DWXRJYCRSA-N 0 0 508.565 6.767 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000027547357 553833065 /nfs/dbraw/zinc/83/30/65/553833065.db2.gz RCRXMDKEEATDLY-NGOKVRLYSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547878 553833189 /nfs/dbraw/zinc/83/31/89/553833189.db2.gz UPSLMWSDSMQJCT-IDISGSTGSA-N 0 0 502.536 6.706 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547870 553833215 /nfs/dbraw/zinc/83/32/15/553833215.db2.gz UPSLMWSDSMQJCT-ZBLYBZFDSA-N 0 0 502.536 6.706 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(C)(C)C)s2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027548002 553833256 /nfs/dbraw/zinc/83/32/56/553833256.db2.gz MYNKFCVYOUFILL-XMMPIXPASA-N 0 0 516.629 7.307 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955756 553833570 /nfs/dbraw/zinc/83/35/70/553833570.db2.gz GZTNQWAAWSLBJQ-AFJIDDCJSA-N 0 0 542.632 5.761 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955757 553833632 /nfs/dbraw/zinc/83/36/32/553833632.db2.gz GZTNQWAAWSLBJQ-WRONEBCDSA-N 0 0 542.632 5.761 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955763 553833937 /nfs/dbraw/zinc/83/39/37/553833937.db2.gz BJMZJEDYOKHQIT-CRYYWNKWSA-N 0 0 540.641 6.364 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955765 553833964 /nfs/dbraw/zinc/83/39/64/553833964.db2.gz SFSMCEZFUIKMPJ-HKBQPEDESA-N 0 0 644.746 7.217 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000027551594 553834297 /nfs/dbraw/zinc/83/42/97/553834297.db2.gz BAALFYUZNCPFDC-DCEDVJGZSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000027551601 553834398 /nfs/dbraw/zinc/83/43/98/553834398.db2.gz BAALFYUZNCPFDC-KSNOWIBYSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1cccc(Cl)c1 ZINC000027551627 553834677 /nfs/dbraw/zinc/83/46/77/553834677.db2.gz SVGQCCBTCWANLM-KSNOWIBYSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000027551635 553834690 /nfs/dbraw/zinc/83/46/90/553834690.db2.gz GYPLXOIOMWJSII-IEZKXTBUSA-N 0 0 524.013 5.063 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000027662409 553836194 /nfs/dbraw/zinc/83/61/94/553836194.db2.gz KPVOWYCPWDKODC-OAQYLSRUSA-N 0 0 512.356 5.152 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)c5cccc([N+](=O)[O-])c5)n42)COC(C)(C)C3)cc1 ZINC000097956616 553840074 /nfs/dbraw/zinc/84/00/74/553840074.db2.gz WOCNJOWLKQBIDE-UHFFFAOYSA-N 0 0 528.594 5.388 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000097956791 553841841 /nfs/dbraw/zinc/84/18/41/553841841.db2.gz CKUMKEFVYPGAHL-LYZGTLIUSA-N 0 0 543.758 7.126 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956859 553842670 /nfs/dbraw/zinc/84/26/70/553842670.db2.gz LQHWZFXDQMQUTG-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956844 553842704 /nfs/dbraw/zinc/84/27/04/553842704.db2.gz FPNIMUNAYMERPG-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN CC(C)(C)c1ccc(CSCCSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000028632331 553843340 /nfs/dbraw/zinc/84/33/40/553843340.db2.gz MPHUDWUKRUCBAM-UHFFFAOYSA-N 0 0 500.758 8.672 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000097957117 553844524 /nfs/dbraw/zinc/84/45/24/553844524.db2.gz LDGLWKQYUUFRLM-IGYGKHONSA-N 0 0 537.531 9.283 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000097957383 553845738 /nfs/dbraw/zinc/84/57/38/553845738.db2.gz XZZGMFAUFIVEGL-UHFFFAOYSA-N 0 0 500.070 6.353 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000029748158 553849471 /nfs/dbraw/zinc/84/94/71/553849471.db2.gz UGUYIWADEBRANA-RLJZQAMKSA-N 0 0 546.458 5.734 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2OCC)c(OC)c1 ZINC000097958176 553851790 /nfs/dbraw/zinc/85/17/90/553851790.db2.gz CQXPLSKZULFDEI-KOEQRZSOSA-N 0 0 547.051 6.740 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=N)S1 ZINC000097958476 553854902 /nfs/dbraw/zinc/85/49/02/553854902.db2.gz CDVPMFCGOPGBQU-SCZSVAABSA-N 0 0 546.737 7.422 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCSc4ccc(Cl)cc4)c(OC)c3)C2=N)S1 ZINC000097958557 553855902 /nfs/dbraw/zinc/85/59/02/553855902.db2.gz NAMPMYGQBOHQGJ-NXIAONNKSA-N 0 0 571.168 7.499 50 30 KKEARN Clc1ccc(-c2coc3cc4o/c(=N\N=C\C=C\c5ccccc5)cc(-c5ccccc5)c4cc32)cc1 ZINC000030822723 553857104 /nfs/dbraw/zinc/85/71/04/553857104.db2.gz SRSFKOKYDYHRDZ-HFGYLISISA-N 0 0 500.985 8.766 50 30 KKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4cccc(/C=C/C(=O)c5ccccc5)c4)c2)C3=O)c1)c1ccccc1 ZINC000097958872 553858418 /nfs/dbraw/zinc/85/84/18/553858418.db2.gz HPCVTWXCASIGGF-CTWPWMDCSA-N 0 0 721.769 8.784 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000097958910 553858723 /nfs/dbraw/zinc/85/87/23/553858723.db2.gz HVQNUUYOSJXKCU-KEIPNQJHSA-N 0 0 593.172 6.675 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3noc(/C=C/c4ccc(CCCCCCC)cc4)n3)cc2)cc1 ZINC000097958942 553859085 /nfs/dbraw/zinc/85/90/85/553859085.db2.gz HBXZXMRWVWETAY-QUPMIFSKSA-N 0 0 534.788 10.990 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097959018 553859701 /nfs/dbraw/zinc/85/97/01/553859701.db2.gz BPGKEDIFKNVAQZ-WNFIAYLZSA-N 0 0 566.079 5.728 50 30 KKEARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000097959038 553860041 /nfs/dbraw/zinc/86/00/41/553860041.db2.gz IBPWZAQXMTVWES-AMQCUNCASA-N 0 0 742.038 7.036 50 30 KKEARN CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccc(/N=N/c2ccc(OC)cc2)cc1 ZINC000097959189 553861734 /nfs/dbraw/zinc/86/17/34/553861734.db2.gz KAZAHLVJUSGDBN-XAHDOWKMSA-N 0 0 521.790 10.444 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Br)cc4)cs3)cc2)c(Cl)c1 ZINC000097959237 553861970 /nfs/dbraw/zinc/86/19/70/553861970.db2.gz QXZKYUQHSGVABM-KKMKTNMSSA-N 0 0 533.278 7.904 50 30 KKEARN COCc1cc(C)nc(N=NCc2cccc3ccc(OCc4ccc(Br)cc4)cc32)c1C#N ZINC000032109653 553863641 /nfs/dbraw/zinc/86/36/41/553863641.db2.gz OENVSPRKXGLAEK-FJEPWZHXSA-N 0 0 515.411 6.349 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097959432 553863671 /nfs/dbraw/zinc/86/36/71/553863671.db2.gz YHGSONVEQSCYIH-PPOKSSTKSA-N 0 0 608.187 6.325 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(Br)c4)c(=O)n32)cc1 ZINC000097959479 553863997 /nfs/dbraw/zinc/86/39/97/553863997.db2.gz DLQFTXORQFFBGP-FJNIOPPGSA-N 0 0 658.574 5.409 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959695 553865455 /nfs/dbraw/zinc/86/54/55/553865455.db2.gz WOWVLMONWPWASP-XMWFGAJLSA-N 0 0 535.597 5.172 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959726 553865815 /nfs/dbraw/zinc/86/58/15/553865815.db2.gz QZICMOJOGMVPBR-PYMNRZMWSA-N 0 0 591.686 5.092 50 30 KKEARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000097959719 553865902 /nfs/dbraw/zinc/86/59/02/553865902.db2.gz WYJRZNMKEOWPRU-PNZRPZLJSA-N 0 0 556.006 6.296 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(N)=O ZINC000097959748 553866183 /nfs/dbraw/zinc/86/61/83/553866183.db2.gz GGHZLGRCBDTRBF-ZFWNPZRLSA-N 0 0 580.504 6.077 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959849 553866480 /nfs/dbraw/zinc/86/64/80/553866480.db2.gz ANIVRKKSNYWGCI-HEIROHQZSA-N 0 0 657.664 7.534 50 30 KKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097960013 553867639 /nfs/dbraw/zinc/86/76/39/553867639.db2.gz CAAFGINEZZDPEP-DHUJRADRSA-N 0 0 638.233 9.331 50 30 KKEARN CCOCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)S/C1=N\c1ccccc1 ZINC000097960103 553868302 /nfs/dbraw/zinc/86/83/02/553868302.db2.gz FBUYQJZQRLFOEQ-YJOBWLRUSA-N 0 0 548.064 6.440 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCCC4)c(F)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000097960195 553868793 /nfs/dbraw/zinc/86/87/93/553868793.db2.gz QIKCJUKARWRERH-WHBJKMDHSA-N 0 0 540.664 6.763 50 30 KKEARN O=C1/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc32)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000097960203 553868936 /nfs/dbraw/zinc/86/89/36/553868936.db2.gz YNFOGLVJWGDZTC-CUYSIPJNSA-N 0 0 534.612 7.955 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2F)cc1OC ZINC000097960351 553870665 /nfs/dbraw/zinc/87/06/65/553870665.db2.gz UVZZFRDPJVXZNA-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000032822175 553875311 /nfs/dbraw/zinc/87/53/11/553875311.db2.gz IHNKQIMGVNPMTC-RUZDIDTESA-O 0 0 524.700 5.992 50 30 endogenous,in-man KKEARN c1ccc(COc2ccc(CN=Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000097961742 553880551 /nfs/dbraw/zinc/88/05/51/553880551.db2.gz UMAIEMZBTPFTNY-JGRMKTMXSA-N 0 0 557.658 6.203 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097962043 553882535 /nfs/dbraw/zinc/88/25/35/553882535.db2.gz JLMNHUNPOJRXIZ-VUVCMLNUSA-N 0 0 553.619 5.250 50 30 KKEARN O=C1CN(Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000097963035 553886415 /nfs/dbraw/zinc/88/64/15/553886415.db2.gz NLHAAYPETMIXQA-QXTXCDGPSA-N 0 0 567.689 7.222 50 30 KKEARN N=C(Nc1nc2ccccc2s1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965546 553905508 /nfs/dbraw/zinc/90/55/08/553905508.db2.gz UEDVETDNTOFKOT-ONGXEEELSA-N 0 0 627.276 7.158 50 30 KKEARN C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000097965780 553905849 /nfs/dbraw/zinc/90/58/49/553905849.db2.gz JTXUCEQNSXNIGF-WXMAUWIXSA-N 0 0 514.854 5.822 50 30 KKEARN COc1ccccc1[C@H]1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(CO/N=C(\C)c4ccccc4)nc3c21 ZINC000097965901 553906219 /nfs/dbraw/zinc/90/62/19/553906219.db2.gz NHJAXYJNHCUVQC-RCDOFAPOSA-N 0 0 557.614 5.854 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3cccc4ccccc43)cc1)C1c3ccccc3C2c2ccccc21 ZINC000097966024 553906798 /nfs/dbraw/zinc/90/67/98/553906798.db2.gz TVZAPVFMHIGGDU-SEAKYVDHSA-N 0 0 534.615 6.645 50 30 KKEARN COc1cccc(CN=Nc2nc(Nc3cccc(C)c3C)nc(N3CCC(C)CC3)n2)c1OCc1ccc(Cl)cc1Cl ZINC000097966122 553907026 /nfs/dbraw/zinc/90/70/26/553907026.db2.gz GGJLDLFRJXXLGU-AEUUOICLSA-N 0 0 620.585 7.809 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(C(C)(C)C)cc4)c4ccccc34)C2=N)S1 ZINC000097966222 553907680 /nfs/dbraw/zinc/90/76/80/553907680.db2.gz BOWYYBIIYSQKJW-UIYWOZAWSA-N 0 0 569.775 7.997 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000097966682 553909673 /nfs/dbraw/zinc/90/96/73/553909673.db2.gz GAVWCTDFZJIBTM-IADYIPOJSA-N 0 0 574.768 7.551 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000097966793 553910470 /nfs/dbraw/zinc/91/04/70/553910470.db2.gz XBKOPFMOZUEHHR-SANMLTNESA-N 0 0 550.449 5.951 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097966845 553911070 /nfs/dbraw/zinc/91/10/70/553911070.db2.gz OGWCBFZVKWTKIE-UKPGIYTDSA-N 0 0 565.622 6.359 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000097966945 553912236 /nfs/dbraw/zinc/91/22/36/553912236.db2.gz PYIUBFOGUCVBBM-GDLZYMKVSA-N 0 0 569.610 5.971 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097967128 553913799 /nfs/dbraw/zinc/91/37/99/553913799.db2.gz QRDQJLOFRORMRH-IIMAJNMQSA-N 0 0 557.643 5.603 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097967126 553913816 /nfs/dbraw/zinc/91/38/16/553913816.db2.gz QRDQJLOFRORMRH-URAOTHONSA-N 0 0 557.643 5.603 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967153 553914497 /nfs/dbraw/zinc/91/44/97/553914497.db2.gz XREWXWSKDPLTJJ-MUUNZHRXSA-N 0 0 561.631 5.215 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967214 553915403 /nfs/dbraw/zinc/91/54/03/553915403.db2.gz ACDQGJAYPDPCRM-ICACTRECSA-N 0 0 561.634 6.376 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967315 553916704 /nfs/dbraw/zinc/91/67/04/553916704.db2.gz CHMVSBHKVCKRGA-BGOLNKOXSA-N 0 0 612.748 7.597 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967358 553917184 /nfs/dbraw/zinc/91/71/84/553917184.db2.gz LTYMDGVBYOXIHV-CHAGWJKLSA-N 0 0 572.639 5.819 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967366 553917626 /nfs/dbraw/zinc/91/76/26/553917626.db2.gz OLYIFRFKODBTJX-LDLUVENISA-N 0 0 600.693 6.599 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000097967431 553918384 /nfs/dbraw/zinc/91/83/84/553918384.db2.gz PCYQOWCFDMYDAF-MHZLTWQESA-N 0 0 554.668 6.765 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967490 553919273 /nfs/dbraw/zinc/91/92/73/553919273.db2.gz TWOHJPNVIDZPPN-QTEAWJPNSA-N 0 0 614.720 6.989 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967562 553920130 /nfs/dbraw/zinc/92/01/30/553920130.db2.gz JKGKWCYTDKLGBW-HKBQPEDESA-N 0 0 644.746 7.073 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967598 553920564 /nfs/dbraw/zinc/92/05/64/553920564.db2.gz LMJKMAVCZXWNGS-PLTNMMHCSA-N 0 0 628.747 7.379 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967718 553922140 /nfs/dbraw/zinc/92/21/40/553922140.db2.gz AKPYIBNLIPDZIL-WENCNXQZSA-N 0 0 598.721 7.289 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967745 553922753 /nfs/dbraw/zinc/92/27/53/553922753.db2.gz CUMUMGYDMBJQRI-HMILPKGGSA-N 0 0 554.668 6.890 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967779 553923017 /nfs/dbraw/zinc/92/30/17/553923017.db2.gz ANYVRNIVOJHQBM-XSJBNIOMSA-N 0 0 662.764 7.779 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967787 553923079 /nfs/dbraw/zinc/92/30/79/553923079.db2.gz PYDWLZXQVPBKTC-XDBZFTIUSA-N 0 0 583.666 5.931 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccccc2Cl)cc1 ZINC000097967826 553923502 /nfs/dbraw/zinc/92/35/02/553923502.db2.gz QIHQCPTZBWCLEG-PSLDYYLHSA-N 0 0 578.032 6.117 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967816 553923537 /nfs/dbraw/zinc/92/35/37/553923537.db2.gz XQBAFDRHSSGQHK-GEFUHLBYSA-N 0 0 604.684 6.990 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967799 553923570 /nfs/dbraw/zinc/92/35/70/553923570.db2.gz XXUBZLYDLVEBPR-XBBWARJSSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967847 553923942 /nfs/dbraw/zinc/92/39/42/553923942.db2.gz PJZQYUAPKYSNFC-CHAGWJKLSA-N 0 0 574.630 6.339 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967843 553924010 /nfs/dbraw/zinc/92/40/10/553924010.db2.gz BZMSPPBTQPMMFS-KWMCUTETSA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967845 553924037 /nfs/dbraw/zinc/92/40/37/553924037.db2.gz PJZQYUAPKYSNFC-RKOGDMNLSA-N 0 0 574.630 6.339 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccco2)cc1OC ZINC000097968059 553927111 /nfs/dbraw/zinc/92/71/11/553927111.db2.gz SAETTWUXJQIOON-WPIKVXLYSA-N 0 0 563.574 5.065 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c1 ZINC000033353985 553927884 /nfs/dbraw/zinc/92/78/84/553927884.db2.gz YTOMUNBZSZBTRS-NDEPHWFRSA-N 0 0 552.627 5.733 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000033354034 553928113 /nfs/dbraw/zinc/92/81/13/553928113.db2.gz XXAYETPIUZOPNF-HMSWDNDHSA-N 0 0 538.644 7.839 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c1OC ZINC000033354006 553928128 /nfs/dbraw/zinc/92/81/28/553928128.db2.gz WJZJZCDEKJVFOS-RUZDIDTESA-N 0 0 559.460 6.130 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(OCCCCCCCC)cc3)c2)cc1 ZINC000033354146 553928520 /nfs/dbraw/zinc/92/85/20/553928520.db2.gz XNVURMAFPYNKAZ-UHFFFAOYSA-N 0 0 602.820 10.453 50 30 KKEARN CCCCCCCCCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(Br)cc3)cc2)cc1 ZINC000033354362 553929559 /nfs/dbraw/zinc/92/95/59/553929559.db2.gz JTWVUHYBBAJLFU-UHFFFAOYSA-N 0 0 537.494 8.285 50 30 KKEARN O=C(N[C@@H](c1ccc(Br)cc1)[C@H](/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000033354482 553930074 /nfs/dbraw/zinc/93/00/74/553930074.db2.gz GHWKKSYJCZXFKZ-QHHPLLGSSA-N 0 0 720.097 9.068 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000033354713 553930806 /nfs/dbraw/zinc/93/08/06/553930806.db2.gz IDXCCYAGSIZIIS-LMKMVOKYSA-N 0 0 531.361 7.456 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000097968400 553931992 /nfs/dbraw/zinc/93/19/92/553931992.db2.gz NFLJLZXSNVQXBA-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN O=C(NC([C@@H](C(=O)NCc1ccccc1)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)O1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000033354980 553932713 /nfs/dbraw/zinc/93/27/13/553932713.db2.gz JBDJVNMNTRHWGL-INIZCTEOSA-N 0 0 692.413 6.095 50 30 KKEARN CCCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000033355071 553932887 /nfs/dbraw/zinc/93/28/87/553932887.db2.gz NSSVDQKAXKUILJ-HSZRJFAPSA-N 0 0 521.489 7.624 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC[S@@](=O)Cc1ccccc1 ZINC000033355410 553934761 /nfs/dbraw/zinc/93/47/61/553934761.db2.gz NCSHRGKOKPYRSM-XIFFEERXSA-N 0 0 533.516 7.091 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)c1=O ZINC000097968950 553935187 /nfs/dbraw/zinc/93/51/87/553935187.db2.gz MCNWYKABVVWHES-MJHDJXAISA-N 0 0 574.500 5.468 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1nc2nonc2nc1Nc1cccc(C)c1C ZINC000033355543 553935220 /nfs/dbraw/zinc/93/52/20/553935220.db2.gz RPSZCQKBKATOMM-MGBGTMOVSA-N 0 0 638.728 8.637 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccc(Br)o5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000033355559 553935441 /nfs/dbraw/zinc/93/54/41/553935441.db2.gz IVBNDNBKMPZZSG-LLVKDONJSA-N 0 0 671.337 7.870 50 30 KKEARN COCc1cc(C)nc(OCC2=NN(C(C)=O)[C@@H](c3ccc(OCc4ccc(Cl)cc4Cl)cc3)O2)c1C#N ZINC000033355807 553937359 /nfs/dbraw/zinc/93/73/59/553937359.db2.gz FUTZHHWPBJCVTD-HHHXNRCGSA-N 0 0 555.418 5.564 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969185 553937684 /nfs/dbraw/zinc/93/76/84/553937684.db2.gz SOYJOHFNSKEMJZ-SOKVYYICSA-N 0 0 556.640 6.200 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000097969260 553938783 /nfs/dbraw/zinc/93/87/83/553938783.db2.gz QZMURKYLBAEDHH-LMAJSVEBSA-N 0 0 586.223 6.236 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097969307 553939463 /nfs/dbraw/zinc/93/94/63/553939463.db2.gz JSLHESFWNCGKAX-SSEXGKCCSA-N 0 0 567.594 5.807 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969367 553940153 /nfs/dbraw/zinc/94/01/53/553940153.db2.gz ZCAPDYOJLPDYGN-KEEVHDRGSA-N 0 0 635.767 7.489 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097969421 553940770 /nfs/dbraw/zinc/94/07/70/553940770.db2.gz LFVQFIBNKGWUIU-DHUJRADRSA-N 0 0 618.730 6.667 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097969427 553940859 /nfs/dbraw/zinc/94/08/59/553940859.db2.gz WDJBJSBOOZICDU-WJOKGBTCSA-N 0 0 570.686 5.273 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000097969477 553941631 /nfs/dbraw/zinc/94/16/31/553941631.db2.gz XVHVKGRURQRCPP-JGCGQSQUSA-N 0 0 642.675 9.526 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097969528 553941880 /nfs/dbraw/zinc/94/18/80/553941880.db2.gz FOQOCPKLYJPGJE-WKRVVKTRSA-N 0 0 555.671 6.612 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969521 553941887 /nfs/dbraw/zinc/94/18/87/553941887.db2.gz UWPKKUBQFYZDIS-IANOAQMISA-N 0 0 612.723 5.288 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969596 553942434 /nfs/dbraw/zinc/94/24/34/553942434.db2.gz GOOTUXARKNMTAR-CRICUBBOSA-N 0 0 572.639 5.465 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969581 553942447 /nfs/dbraw/zinc/94/24/47/553942447.db2.gz VNRUWBAMHCCOSQ-APYJYERMSA-N 0 0 626.775 7.987 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969607 553943000 /nfs/dbraw/zinc/94/30/00/553943000.db2.gz WWYFWOHMVRIIKD-XDBZFTIUSA-N 0 0 568.651 6.366 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969661 553943363 /nfs/dbraw/zinc/94/33/63/553943363.db2.gz SKXFWEJXRCDMKE-CLYVBNDRSA-N 0 0 620.724 6.168 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969657 553943437 /nfs/dbraw/zinc/94/34/37/553943437.db2.gz PFNATTCVDSWBML-KEEVHDRGSA-N 0 0 596.705 6.983 50 30 KKEARN CCOc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000033356704 553943569 /nfs/dbraw/zinc/94/35/69/553943569.db2.gz SDMLUEXEJQGDCR-UHFFFAOYSA-N 0 0 549.067 7.537 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969715 553944145 /nfs/dbraw/zinc/94/41/45/553944145.db2.gz UQRHJUPLFOVOGR-CRYYWNKWSA-N 0 0 556.640 6.118 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969752 553944440 /nfs/dbraw/zinc/94/44/40/553944440.db2.gz ZRFJLQRLQWVIBJ-JCOAXYOVSA-N 0 0 588.685 7.290 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000097969764 553944718 /nfs/dbraw/zinc/94/47/18/553944718.db2.gz OAQPICBQFFJHNV-HHHXNRCGSA-N 0 0 580.662 6.465 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969765 553944742 /nfs/dbraw/zinc/94/47/42/553944742.db2.gz OLPMHUOXIYCYMM-QTEAWJPNSA-N 0 0 590.657 7.204 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969755 553944750 /nfs/dbraw/zinc/94/47/50/553944750.db2.gz ZRFJLQRLQWVIBJ-UKPGIYTDSA-N 0 0 588.685 7.290 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969835 553945612 /nfs/dbraw/zinc/94/56/12/553945612.db2.gz CKWHABROIRLQIV-QLXKLKPCSA-N 0 0 604.681 5.698 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969842 553946000 /nfs/dbraw/zinc/94/60/00/553946000.db2.gz WKCNMFXHARNBTE-IVCQMTBJSA-N 0 0 592.670 5.532 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969919 553946817 /nfs/dbraw/zinc/94/68/17/553946817.db2.gz DVIDBKNAHDZCTD-HMILPKGGSA-N 0 0 632.735 6.478 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969902 553946868 /nfs/dbraw/zinc/94/68/68/553946868.db2.gz PZTKHLNGNIMOAY-ADSBAMQRSA-N 0 0 592.648 7.121 50 30 KKEARN C=CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000033357168 553947087 /nfs/dbraw/zinc/94/70/87/553947087.db2.gz WFCQPWLEZFLRKN-QUCCMNQESA-N 0 0 567.637 5.216 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969984 553947661 /nfs/dbraw/zinc/94/76/61/553947661.db2.gz QYCCUQNGZKWEFR-MNAQKMTRSA-N 0 0 642.774 7.769 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097969966 553947667 /nfs/dbraw/zinc/94/76/67/553947667.db2.gz BOWCSTDDFGOAHZ-SSEXGKCCSA-N 0 0 557.643 5.856 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970006 553948281 /nfs/dbraw/zinc/94/82/81/553948281.db2.gz KQJRBKGRWIEQPM-GYCJOSAFSA-N 0 0 560.628 5.299 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970041 553948400 /nfs/dbraw/zinc/94/84/00/553948400.db2.gz FFDKEYQNLJXYEG-WRGVRERRSA-N 0 0 598.721 7.370 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970043 553948621 /nfs/dbraw/zinc/94/86/21/553948621.db2.gz FFDKEYQNLJXYEG-KEEVHDRGSA-N 0 0 598.721 7.370 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970106 553949469 /nfs/dbraw/zinc/94/94/69/553949469.db2.gz BLFUFJWFKVNPKW-LJAQVGFWSA-N 0 0 600.693 6.674 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970092 553949503 /nfs/dbraw/zinc/94/95/03/553949503.db2.gz ZQCDVDKJXAEKPK-ROTAYESASA-N 0 0 612.748 7.535 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970118 553949893 /nfs/dbraw/zinc/94/98/93/553949893.db2.gz WKGOUMMXCRKLTE-PVPMGCCUSA-N 0 0 588.638 5.437 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970142 553949998 /nfs/dbraw/zinc/94/99/98/553949998.db2.gz IHLFPWCEMTYDJB-JMQGSBJISA-N 0 0 570.667 6.427 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097970177 553950461 /nfs/dbraw/zinc/95/04/61/553950461.db2.gz MVPVQGWSAHCHKN-PMERELPUSA-N 0 0 557.643 5.856 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970208 553950884 /nfs/dbraw/zinc/95/08/84/553950884.db2.gz TZUOXWWBQWPETP-DHYKOVJISA-N 0 0 632.738 7.689 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970269 553951546 /nfs/dbraw/zinc/95/15/46/553951546.db2.gz FXEUSOROWBRCKS-UPCLLVRISA-N 0 0 562.644 5.523 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000097970322 553952592 /nfs/dbraw/zinc/95/25/92/553952592.db2.gz MLPWQONVIIZLMF-WJOKGBTCSA-N 0 0 568.198 9.408 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970319 553952606 /nfs/dbraw/zinc/95/26/06/553952606.db2.gz RSYQNEDZBUBQHZ-JRPXNJEYSA-N 0 0 582.722 7.588 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970356 553952869 /nfs/dbraw/zinc/95/28/69/553952869.db2.gz FEDSZVVEADCJKH-DNOBIOAJSA-N 0 0 601.725 7.199 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970353 553952952 /nfs/dbraw/zinc/95/29/52/553952952.db2.gz SNEZQPHPIPIDLK-SANMLTNESA-N 0 0 558.612 5.648 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970415 553953614 /nfs/dbraw/zinc/95/36/14/553953614.db2.gz UYTIXVIHQMTKSH-MYUZEXMDSA-N 0 0 618.180 7.714 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970435 553954036 /nfs/dbraw/zinc/95/40/36/553954036.db2.gz PPYUXVQQZAKLRR-SGANQWHYSA-N 0 0 621.509 6.496 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000033358273 553954263 /nfs/dbraw/zinc/95/42/63/553954263.db2.gz WDPILYSGVHPNHE-CLYVBNDRSA-N 0 0 620.993 6.778 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000033358270 553954284 /nfs/dbraw/zinc/95/42/84/553954284.db2.gz WDPILYSGVHPNHE-XRHLQHRESA-N 0 0 620.993 6.778 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000033358303 553954485 /nfs/dbraw/zinc/95/44/85/553954485.db2.gz PHMFJMUZBXXCIB-WRHNGFHOSA-N 0 0 565.022 6.214 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000033358342 553954836 /nfs/dbraw/zinc/95/48/36/553954836.db2.gz FSFOZHGKOSFJAS-WRQBUUCKSA-N 0 0 547.986 6.528 50 30 KKEARN O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000033358349 553954840 /nfs/dbraw/zinc/95/48/40/553954840.db2.gz NKTRQDOTYLTLPR-WRQBUUCKSA-N 0 0 606.420 6.357 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970499 553955012 /nfs/dbraw/zinc/95/50/12/553955012.db2.gz GLMUQGRYQABKGF-SSOJOUAXSA-N 0 0 576.671 5.769 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970522 553955365 /nfs/dbraw/zinc/95/53/65/553955365.db2.gz ZOZJOXPVHOSPKB-OLILMLBXSA-N 0 0 622.699 6.480 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000033358445 553955671 /nfs/dbraw/zinc/95/56/71/553955671.db2.gz KHTSBBCEXSDIDZ-ZWVRTZEQSA-N 0 0 554.687 7.193 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000033358443 553955676 /nfs/dbraw/zinc/95/56/76/553955676.db2.gz IPXIYQHZJULSQO-BNHRFMORSA-N 0 0 568.595 7.729 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000033358441 553955753 /nfs/dbraw/zinc/95/57/53/553955753.db2.gz IPXIYQHZJULSQO-QNLPTKCRSA-N 0 0 568.595 7.729 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1cccc(Br)c1)N2 ZINC000033358481 553956202 /nfs/dbraw/zinc/95/62/02/553956202.db2.gz GDMXUSFMEQZUCT-DLLPINGYSA-N 0 0 549.468 7.660 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970594 553956378 /nfs/dbraw/zinc/95/63/78/553956378.db2.gz LKRAGZFDSDNDEA-ROTAYESASA-N 0 0 612.748 7.597 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970608 553956448 /nfs/dbraw/zinc/95/64/48/553956448.db2.gz DPQXPCMMJSXXTO-LJAQVGFWSA-N 0 0 616.692 6.437 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970656 553957057 /nfs/dbraw/zinc/95/70/57/553957057.db2.gz ZGJSBRDOXJCQBQ-NDEPHWFRSA-N 0 0 610.732 7.206 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970658 553957123 /nfs/dbraw/zinc/95/71/23/553957123.db2.gz MLYLDZZQDADUFG-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970660 553957220 /nfs/dbraw/zinc/95/72/20/553957220.db2.gz PXYVXUHYEVJBPG-GKVSMKOHSA-N 0 0 558.656 6.024 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970689 553957450 /nfs/dbraw/zinc/95/74/50/553957450.db2.gz YTBXSWFUEPUAKW-WJOKGBTCSA-N 0 0 604.684 7.046 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970693 553957481 /nfs/dbraw/zinc/95/74/81/553957481.db2.gz FEXZMXFDWHMTQM-KWMCUTETSA-N 0 0 604.725 6.584 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097970701 553957585 /nfs/dbraw/zinc/95/75/85/553957585.db2.gz WZKVPONGTKWLDM-ONOMSOESSA-N 0 0 559.663 5.453 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970726 553957972 /nfs/dbraw/zinc/95/79/72/553957972.db2.gz QVRWSTINTZPUET-PKHCJMHPSA-N 0 0 628.747 7.235 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970758 553958294 /nfs/dbraw/zinc/95/82/94/553958294.db2.gz NFCLWJVXVSQVGD-GDJIYFAZSA-N 0 0 568.651 6.227 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970757 553958311 /nfs/dbraw/zinc/95/83/11/553958311.db2.gz NFCLWJVXVSQVGD-WHLCRQNOSA-N 0 0 568.651 6.227 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970739 553958349 /nfs/dbraw/zinc/95/83/49/553958349.db2.gz AGQVTINAONGDGH-XMMPIXPASA-N 0 0 577.456 6.230 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097970945 553959570 /nfs/dbraw/zinc/95/95/70/553959570.db2.gz VBBYEDRFOMDYGO-IIMAJNMQSA-N 0 0 556.659 6.151 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970971 553959789 /nfs/dbraw/zinc/95/97/89/553959789.db2.gz MQNQPHDNIARMSG-HKBQPEDESA-N 0 0 564.638 6.155 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000097970957 553959969 /nfs/dbraw/zinc/95/99/69/553959969.db2.gz JDZJEOAVSIVZTH-NDEPHWFRSA-N 0 0 591.502 5.247 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097971023 553960564 /nfs/dbraw/zinc/96/05/64/553960564.db2.gz QCJYYMFPYGRORH-APYJYERMSA-N 0 0 576.649 6.161 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000097971151 553961091 /nfs/dbraw/zinc/96/10/91/553961091.db2.gz RXORPLKKXKWWEP-PXLXIMEGSA-N 0 0 511.009 7.990 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000097971886 553963498 /nfs/dbraw/zinc/96/34/98/553963498.db2.gz AQUAIMODUKITAJ-GRKNLSHJSA-N 0 0 541.644 7.073 50 30 biogenic KKEARN CCCCCCCCCCCC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000097976992 553973708 /nfs/dbraw/zinc/97/37/08/553973708.db2.gz RBLPNDYOHGPUAL-IBGZPJMESA-N 0 0 524.282 8.504 50 30 KKEARN O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc1-2 ZINC000097976963 553973736 /nfs/dbraw/zinc/97/37/36/553973736.db2.gz DDJOMOGIRGBINJ-UHFFFAOYSA-N 0 0 651.549 7.374 50 30 KKEARN Cc1oc(C)c(C(=O)/C=C/c2ccc(Br)cc2)c1C(=O)/C=C/c1ccc(Br)cc1 ZINC000033889294 553976021 /nfs/dbraw/zinc/97/60/21/553976021.db2.gz HTIKFDJBTLXCOO-FNCQTZNRSA-N 0 0 514.213 7.214 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000033930680 553977043 /nfs/dbraw/zinc/97/70/43/553977043.db2.gz AVGGARYPVPEIMQ-KJFKMWBDSA-N 0 0 505.611 5.416 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000033930658 553977124 /nfs/dbraw/zinc/97/71/24/553977124.db2.gz AELFOMNPMYSOTC-OKKIPLHTSA-N 0 0 521.679 6.129 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000033930654 553977136 /nfs/dbraw/zinc/97/71/36/553977136.db2.gz AELFOMNPMYSOTC-JISLCMDKSA-N 0 0 521.679 6.129 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)c4cccc(S(=O)(=O)N(C)c5ccccc5)c4)sc3C(C)(C)C2)cc1 ZINC000097979392 553978795 /nfs/dbraw/zinc/97/87/95/553978795.db2.gz BGUKUHGFCUREND-CCEZHUSRSA-N 0 0 681.836 7.417 50 30 KKEARN N#Cc1ccc(NC(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000097979429 553979469 /nfs/dbraw/zinc/97/94/69/553979469.db2.gz VLNPBONXBGNSAQ-XNTDXEJSSA-N 0 0 527.378 5.369 50 30 KKEARN COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000097979577 553980553 /nfs/dbraw/zinc/98/05/53/553980553.db2.gz DQBYTBAVOJKARA-ZBJSNUHESA-N 0 0 535.575 5.973 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000034252118 553981183 /nfs/dbraw/zinc/98/11/83/553981183.db2.gz FBSVHROTXUJUHS-ODLWIBRJSA-N 0 0 512.775 7.749 50 30 KKEARN CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2cccc(C#N)c2)/C(=C\c2cccs2)C1 ZINC000097979661 553981394 /nfs/dbraw/zinc/98/13/94/553981394.db2.gz OZJRUDYHGQNYTK-CSMMYAOASA-N 0 0 535.669 7.113 50 30 KKEARN Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCC4)c1 ZINC000097979852 553983021 /nfs/dbraw/zinc/98/30/21/553983021.db2.gz UANBMPZIOVPFTG-UHFFFAOYSA-N 0 0 621.810 5.226 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(/C=C/C(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)cc2)CC1 ZINC000097981631 553995980 /nfs/dbraw/zinc/99/59/80/553995980.db2.gz CIEPBFVWJBFFRH-ZEELXFFVSA-N 0 0 660.858 6.320 50 30 KKEARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/c1cc(-c2ccc(Cl)cc2)n2c3ccccc3nc2c1C#N ZINC000097981637 553996033 /nfs/dbraw/zinc/99/60/33/553996033.db2.gz WPGRLUVIDVQAEQ-OVCLIPMQSA-N 0 0 538.413 8.137 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccc(Cl)cc1 ZINC000097982302 554000909 /nfs/dbraw/zinc/00/09/09/554000909.db2.gz VYXJGGJTMXEKHG-UHFFFAOYSA-N 0 0 560.189 6.729 50 30 KKEARN CCOC(=O)N1C/C(=C\c2ccc(Br)cc2F)C(=O)/C(=C\c2ccc(Br)cc2F)C1 ZINC000097982463 554002519 /nfs/dbraw/zinc/00/25/19/554002519.db2.gz WDSYSROGVBIKFC-BSHIDLADSA-N 0 0 541.186 5.998 50 30 KKEARN COc1ccc(CN2CCc3c(c(CN(C(=O)c4cccc(C#N)c4)C4CC4)nn3-c3ccccc3)C2)cc1 ZINC000034768913 554003210 /nfs/dbraw/zinc/00/32/10/554003210.db2.gz ZMPSTYWRKABAKM-UHFFFAOYSA-N 0 0 517.633 5.116 50 30 KKEARN Fc1c(F)c(F)c(SC(I)=C(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000097982996 554006984 /nfs/dbraw/zinc/00/69/84/554006984.db2.gz SXAIRGGYPJDUNC-UHFFFAOYSA-N 0 0 748.295 10.011 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000097983028 554007199 /nfs/dbraw/zinc/00/71/99/554007199.db2.gz FYUFOLUKJNYOOV-HHHXNRCGSA-N 0 0 593.149 9.664 50 30 KKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)CNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097983127 554007696 /nfs/dbraw/zinc/00/76/96/554007696.db2.gz DNCPUTXIVDVPNK-UHFFFAOYSA-N 0 0 545.155 6.189 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C ZINC000097984281 554015455 /nfs/dbraw/zinc/01/54/55/554015455.db2.gz ZYLLIPAJUDJFDV-LDLOPFEMSA-N 0 0 616.457 6.078 50 30 KKEARN O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000097984363 554016074 /nfs/dbraw/zinc/01/60/74/554016074.db2.gz DIOUZZSZHUXANU-LICLKQGHSA-N 0 0 536.494 6.483 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Cl)cc2Cl)c1[P@@](=O)(Nc1ccc(C)c(Cl)c1)N1CCOCC1 ZINC000097984724 554018172 /nfs/dbraw/zinc/01/81/72/554018172.db2.gz ISXFKDHZRYKHLM-KXQOOQHDSA-N 0 0 595.855 5.889 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 ZINC000097985124 554021147 /nfs/dbraw/zinc/02/11/47/554021147.db2.gz DHOXTCYLXJZBCL-UHFFFAOYSA-N 0 0 593.705 6.093 50 30 KKEARN COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000034865524 554021997 /nfs/dbraw/zinc/02/19/97/554021997.db2.gz FNVPOEKAGVYYQS-MCIDSYJDSA-N 0 0 517.585 6.033 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl ZINC000097994414 554031416 /nfs/dbraw/zinc/03/14/16/554031416.db2.gz KNFRJBBZJNUSKR-QGZVFWFLSA-N 0 0 513.875 5.453 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1S[C@H](CC)C(=O)Nc1cccc(C(C)=O)c1 ZINC000097994886 554032600 /nfs/dbraw/zinc/03/26/00/554032600.db2.gz JBLKDHAXZZACKE-HXUWFJFHSA-N 0 0 546.480 5.664 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3C(=NC(c4ccccc4)=C(C(=O)OCC)[C@H]3c3cccc(OC)c3)S2)cc1 ZINC000097995813 554037836 /nfs/dbraw/zinc/03/78/36/554037836.db2.gz NTCAIJSKAVXSRQ-GDLZYMKVSA-N 0 0 611.676 6.005 50 30 KKEARN CCOc1ccc2cc(/C=C\C(=O)c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)c(Cl)nc2c1 ZINC000097997016 554039257 /nfs/dbraw/zinc/03/92/57/554039257.db2.gz BUXUOSFXEORXCU-LCYFTJDESA-N 0 0 559.847 7.454 50 30 KKEARN CCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000097997043 554039446 /nfs/dbraw/zinc/03/94/46/554039446.db2.gz ZXPQLXGACMMSII-NVQSTNCTSA-N 0 0 506.712 7.164 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000097997748 554040272 /nfs/dbraw/zinc/04/02/72/554040272.db2.gz DQKPHXXQJDKGCP-JGCGQSQUSA-N 0 0 565.795 8.220 50 30 biogenic KKEARN CCCCCCCCCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(CCCCCCCCC)cc3)n2)cc1 ZINC000097998415 554041126 /nfs/dbraw/zinc/04/11/26/554041126.db2.gz BSMIDJBPMXSKJC-UHFFFAOYSA-N 0 0 569.834 10.172 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1C ZINC000097999391 554042637 /nfs/dbraw/zinc/04/26/37/554042637.db2.gz FVAOHYQJKVIYQE-ONUIUJJFSA-N 0 0 552.059 5.745 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000097999712 554045342 /nfs/dbraw/zinc/04/53/42/554045342.db2.gz PJQKEAVALDQDKG-MFCBUNOESA-N 0 0 679.390 6.317 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000097999728 554045360 /nfs/dbraw/zinc/04/53/60/554045360.db2.gz VFAOANYDHBAZJF-JIYROHSKSA-N 0 0 632.385 9.279 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097999795 554045933 /nfs/dbraw/zinc/04/59/33/554045933.db2.gz RTCUDCAEILXUHW-NJWQRWAZSA-N 0 0 775.298 9.567 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999899 554046747 /nfs/dbraw/zinc/04/67/47/554046747.db2.gz NJWBJSXLEHEPKW-WZPDBAAASA-N 0 0 655.622 9.528 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999897 554046827 /nfs/dbraw/zinc/04/68/27/554046827.db2.gz NJWBJSXLEHEPKW-ZTUXGFDNSA-N 0 0 655.622 9.528 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1ccc(C)cc1C ZINC000035400771 554048623 /nfs/dbraw/zinc/04/86/23/554048623.db2.gz PLWKPKHJSQAVCN-UHFFFAOYSA-N 0 0 535.710 5.982 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000098000311 554050193 /nfs/dbraw/zinc/05/01/93/554050193.db2.gz KFHIYXQKPYEBNI-CVYDZTKKSA-N 0 0 556.662 6.925 50 30 KKEARN CCCCCCCCOC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000098000413 554050858 /nfs/dbraw/zinc/05/08/58/554050858.db2.gz VYIBFFPXUNEHFY-UHFFFAOYSA-N 0 0 518.679 7.300 50 30 KKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3I)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000098001154 554051598 /nfs/dbraw/zinc/05/15/98/554051598.db2.gz RXWRORVBSWZFMU-CYXNTTPDSA-N 0 0 541.392 5.884 50 30 KKEARN CCCCCCCOc1ccccc1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000098001617 554052885 /nfs/dbraw/zinc/05/28/85/554052885.db2.gz AZOZFSBYRDVUBM-VEAVTWOXSA-N 0 0 684.815 6.740 50 30 KKEARN C[C@@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098001742 554053125 /nfs/dbraw/zinc/05/31/25/554053125.db2.gz BASHIZYUNGPHGV-UOSBZTQKSA-N 0 0 620.661 7.926 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000098003641 554055668 /nfs/dbraw/zinc/05/56/68/554055668.db2.gz HFWGGMFQMKEJNU-YQPGIBNTSA-N 0 0 604.703 7.244 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000098003706 554056203 /nfs/dbraw/zinc/05/62/03/554056203.db2.gz LHJPIRDZRCYIRV-BCHFMIIMSA-N 0 0 555.394 7.220 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000098005894 554059179 /nfs/dbraw/zinc/05/91/79/554059179.db2.gz WRNAQUWJXOMZDW-MHZLTWQESA-N 0 0 526.942 5.613 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(SC)cc2)sc2c1CCCC2 ZINC000098006220 554060847 /nfs/dbraw/zinc/06/08/47/554060847.db2.gz ZLVPWMPCLHGFAZ-XMMPIXPASA-N 0 0 536.719 6.132 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)cc4)C3)[C@@H]1c1ccccc1)CCCC2 ZINC000098006174 554060873 /nfs/dbraw/zinc/06/08/73/554060873.db2.gz LFLVAYACCIXUOT-PZGXJGMVSA-N 0 0 582.722 6.422 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1cccc(Cl)c1)CCCC2 ZINC000098006223 554060929 /nfs/dbraw/zinc/06/09/29/554060929.db2.gz KEGVQTAWBZZYST-DEOSSOPVSA-N 0 0 553.124 6.700 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@@H]2c1ccccc1 ZINC000098006281 554061017 /nfs/dbraw/zinc/06/10/17/554061017.db2.gz NLOKUQHRKOUVFQ-LJQANCHMSA-N 0 0 543.636 7.013 50 30 KKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000098007296 554063267 /nfs/dbraw/zinc/06/32/67/554063267.db2.gz WQIXOSRMTHSTOL-WIOPSUGQSA-N 0 0 546.451 5.888 50 30 KKEARN CCOc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1-n1nc2ccccc2n1 ZINC000098007334 554063460 /nfs/dbraw/zinc/06/34/60/554063460.db2.gz APMNUIMCZLRSNC-UHFFFAOYSA-N 0 0 537.592 7.125 50 30 KKEARN N#Cc1cccc(NC(=O)NCc2nnc(SCc3ccccc3)n2-c2cc(Cl)ccc2Cl)c1 ZINC000035706582 554064706 /nfs/dbraw/zinc/06/47/06/554064706.db2.gz GGKBZKWXKMLREM-UHFFFAOYSA-N 0 0 509.422 6.060 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007904 554064786 /nfs/dbraw/zinc/06/47/86/554064786.db2.gz QAWYUOCVJHAAAT-ANSQWYIGSA-N 0 0 534.565 5.506 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C(=O)Nc1nccs1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008045 554065655 /nfs/dbraw/zinc/06/56/55/554065655.db2.gz FSWZJXXIUBHOLN-NRFANRHFSA-N 0 0 533.585 5.246 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008066 554065672 /nfs/dbraw/zinc/06/56/72/554065672.db2.gz QGAAAXAWSQVQFT-OSOCVKALSA-N 0 0 533.577 5.326 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008068 554065990 /nfs/dbraw/zinc/06/59/90/554065990.db2.gz QGAAAXAWSQVQFT-VKIDHGPPSA-N 0 0 533.577 5.326 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008114 554066298 /nfs/dbraw/zinc/06/62/98/554066298.db2.gz PWQPUCYSRZKYQY-VKIDHGPPSA-N 0 0 583.584 6.206 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)c1nc(N)c(C#N)c(N)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008974 554068436 /nfs/dbraw/zinc/06/84/36/554068436.db2.gz FYERTAZGHFGYNR-QHCPKHFHSA-N 0 0 565.659 5.765 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000098009102 554069401 /nfs/dbraw/zinc/06/94/01/554069401.db2.gz YSNSRQGCCMWRQX-BUUDZMLXSA-N 0 0 557.565 5.428 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000035817494 554078750 /nfs/dbraw/zinc/07/87/50/554078750.db2.gz SSIDHYMYMMSQMK-VZAVBHJOSA-N 0 0 508.014 5.969 50 30 KKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(C(F)(F)F)c3)cc2-c2cccc(OC)c2)cc1 ZINC000035843411 554082122 /nfs/dbraw/zinc/08/21/22/554082122.db2.gz SDVJAJBXEQNIRU-APTWKGOFSA-N 0 0 508.540 7.430 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] ZINC000035913048 554096795 /nfs/dbraw/zinc/09/67/95/554096795.db2.gz JQWOXANMODTRAS-DVBNTOJCSA-N 0 0 520.557 5.126 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(C/C=C/c3ccccc3)CC1)n2Cc1c(F)cccc1F ZINC000035927858 554101481 /nfs/dbraw/zinc/10/14/81/554101481.db2.gz HQYHNGMRDYZJAB-DHZHZOJOSA-N 0 0 527.615 6.004 50 30 KKEARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000098019544 554113009 /nfs/dbraw/zinc/11/30/09/554113009.db2.gz ALJWLWSQFMHVSC-SANMLTNESA-N 0 0 576.719 5.230 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1ccc(OCC)cc1 ZINC000098019590 554113181 /nfs/dbraw/zinc/11/31/81/554113181.db2.gz ROIRABOZTWVSTO-UHFFFAOYSA-N 0 0 543.595 5.580 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035973829 554114922 /nfs/dbraw/zinc/11/49/22/554114922.db2.gz NLJWUDLATOVVSB-ICUZJZPDSA-N 0 0 514.449 6.705 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000098019954 554115553 /nfs/dbraw/zinc/11/55/53/554115553.db2.gz BMAANYDSKJJNHT-UHFFFAOYSA-N 0 0 553.417 6.096 50 30 KKEARN O=C(Nc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2NC(=O)C(F)(F)F)c(F)c1F)C(F)(F)F ZINC000098022984 554119983 /nfs/dbraw/zinc/11/99/83/554119983.db2.gz ASEJGZWJCNCUNN-UHFFFAOYSA-N 0 0 556.312 6.829 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc5c(c3)OCO5)N4)sc2C1 ZINC000098023201 554120483 /nfs/dbraw/zinc/12/04/83/554120483.db2.gz FVRNQCVDAAIPTB-OMXJDXKCSA-N 0 0 571.625 6.609 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098036910 554121073 /nfs/dbraw/zinc/12/10/73/554121073.db2.gz IBZGEZMQPPGJEM-IDISGSTGSA-N 0 0 523.589 5.670 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000098042925 554123192 /nfs/dbraw/zinc/12/31/92/554123192.db2.gz OZQGYYGFACAQOS-KRWDZBQOSA-N 0 0 518.332 5.268 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COc3cc(C)c(Cl)cc3C(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000098042982 554123559 /nfs/dbraw/zinc/12/35/59/554123559.db2.gz DMOXCDJHUAFDAE-UHFFFAOYSA-N 0 0 545.035 7.605 50 30 KKEARN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2Sc2ccccc2C#N)cc1OC ZINC000098043278 554126003 /nfs/dbraw/zinc/12/60/03/554126003.db2.gz GSJKYQYYEWRPAN-HHHXNRCGSA-N 0 0 580.706 6.726 50 30 KKEARN O=C(Nc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(NC(=O)c5ccccc5)cc4)c(F)c3F)c(F)c2F)cc1)c1ccccc1 ZINC000098044755 554129509 /nfs/dbraw/zinc/12/95/09/554129509.db2.gz VLKWWKRPJKPUSZ-UHFFFAOYSA-N 0 0 720.572 10.556 50 30 KKEARN CC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000098044776 554129786 /nfs/dbraw/zinc/12/97/86/554129786.db2.gz JIRCDYQYBAAUKL-IIMAJNMQSA-N 0 0 533.499 8.211 50 30 KKEARN CCCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc(CCCCCCC)cc4)n3)cc2)cc1 ZINC000098044798 554129790 /nfs/dbraw/zinc/12/97/90/554129790.db2.gz HOIQRTJJLSSMIG-UHFFFAOYSA-N 0 0 510.722 9.933 50 30 KKEARN CCCCCC1CCC(C2CCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2)CC1 ZINC000098044779 554129800 /nfs/dbraw/zinc/12/98/00/554129800.db2.gz BXWWBGDWPOAAHH-UHFFFAOYSA-N 0 0 598.484 9.214 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000098045016 554130269 /nfs/dbraw/zinc/13/02/69/554130269.db2.gz YLSLKFWINHAIGF-ZWVRTZEQSA-N 0 0 589.607 9.772 50 30 KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc(OC)c1OC ZINC000098045117 554130813 /nfs/dbraw/zinc/13/08/13/554130813.db2.gz NQMXDOJFHFCBJI-SSEXGKCCSA-N 0 0 554.643 6.106 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O ZINC000098045160 554130820 /nfs/dbraw/zinc/13/08/20/554130820.db2.gz DAHNGKXLYJMOSA-UCGGBYDDSA-N 0 0 613.695 5.688 50 30 KKEARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 ZINC000098045484 554131814 /nfs/dbraw/zinc/13/18/14/554131814.db2.gz VZNXALKIAYXEHD-FQEVSTJZSA-N 0 0 563.536 5.781 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000098045525 554132186 /nfs/dbraw/zinc/13/21/86/554132186.db2.gz CPFRJNPYFNWWPH-WKRVVKTRSA-N 0 0 550.596 8.325 50 30 KKEARN CCCCCCCC[S@@](=O)C[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000098045810 554134083 /nfs/dbraw/zinc/13/40/83/554134083.db2.gz IPOFRQTXMWTEPB-LHAPQZOASA-N 0 0 506.737 6.849 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000098046311 554137607 /nfs/dbraw/zinc/13/76/07/554137607.db2.gz OCGGVNCNZDYPDH-QHCPKHFHSA-N 0 0 532.618 5.593 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)c(C)c1 ZINC000098046346 554137934 /nfs/dbraw/zinc/13/79/34/554137934.db2.gz JSZLOHVKUSJISJ-UHFFFAOYSA-N 0 0 581.713 6.720 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098046322 554137980 /nfs/dbraw/zinc/13/79/80/554137980.db2.gz DUCIHIXAEGZUFJ-DEOSSOPVSA-N 0 0 544.629 5.759 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(C(=O)OCC)cc3)n2)cc1 ZINC000098046348 554138031 /nfs/dbraw/zinc/13/80/31/554138031.db2.gz PDAFTBMYDCDYDF-UHFFFAOYSA-N 0 0 557.594 6.725 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046372 554138349 /nfs/dbraw/zinc/13/83/49/554138349.db2.gz BBBLJAZAPVRFCV-AREMUKBSSA-N 0 0 554.624 6.025 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046481 554139466 /nfs/dbraw/zinc/13/94/66/554139466.db2.gz MYTDSCTUSDNYFN-NDEPHWFRSA-N 0 0 617.768 8.055 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046571 554140595 /nfs/dbraw/zinc/14/05/95/554140595.db2.gz ZRAHQYDEMUFGBV-XMMPIXPASA-N 0 0 574.655 5.646 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046578 554141136 /nfs/dbraw/zinc/14/11/36/554141136.db2.gz ZRZCCCZISWHQBN-OLILMLBXSA-N 0 0 542.632 5.761 50 30 KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(Cl)c(Cl)c3)oc21 ZINC000098046627 554141628 /nfs/dbraw/zinc/14/16/28/554141628.db2.gz UTOAOKOSBDWUFK-HSZRJFAPSA-N 0 0 545.419 5.049 50 30 KKEARN Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@@](O)(c3ccccc3)C[C@@H](c3ccc(C)cc3)C2(C#N)C#N)cc1 ZINC000036028859 554141806 /nfs/dbraw/zinc/14/18/06/554141806.db2.gz WCIXCLURGHTUOE-ABVVNCBOSA-N 0 0 510.637 6.995 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046706 554142702 /nfs/dbraw/zinc/14/27/02/554142702.db2.gz MTFSPIAPDIOPOB-DHUJRADRSA-N 0 0 596.683 7.327 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1cccc(F)c1 ZINC000036030640 554143559 /nfs/dbraw/zinc/14/35/59/554143559.db2.gz GXJPIODKKATPTJ-UHFFFAOYSA-N 0 0 509.647 5.638 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3Cl)n2)ccc1OCCC(C)C ZINC000098046904 554144823 /nfs/dbraw/zinc/14/48/23/554144823.db2.gz SPXLHMBAABMZLG-UHFFFAOYSA-N 0 0 539.450 8.972 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)Nc1cccc(Cl)c1 ZINC000036031410 554144921 /nfs/dbraw/zinc/14/49/21/554144921.db2.gz NCPZSKPUPFWCCO-UHFFFAOYSA-N 0 0 501.052 5.387 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000098047034 554146014 /nfs/dbraw/zinc/14/60/14/554146014.db2.gz VMBVRDBVTLOJPT-SSEXGKCCSA-N 0 0 556.659 5.487 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000098047046 554146122 /nfs/dbraw/zinc/14/61/22/554146122.db2.gz KDSYNJDXIAOOQO-WJOKGBTCSA-N 0 0 568.670 5.653 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)cc1 ZINC000098047065 554146363 /nfs/dbraw/zinc/14/63/63/554146363.db2.gz PEOXDSXZISLSLF-UHFFFAOYSA-N 0 0 567.686 6.411 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037402 554146474 /nfs/dbraw/zinc/14/64/74/554146474.db2.gz FPXVCADOXPZNIF-IEXUWNMDSA-N 0 0 523.651 5.251 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1Cc1ccc(Cl)cc1 ZINC000098047665 554154426 /nfs/dbraw/zinc/15/44/26/554154426.db2.gz DHWYCOSCCYLXLN-UHFFFAOYSA-N 0 0 574.943 7.541 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048050 554159189 /nfs/dbraw/zinc/15/91/89/554159189.db2.gz XHOUYEFJMAJKSB-JMQGSBJISA-N 0 0 572.658 6.967 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048181 554160135 /nfs/dbraw/zinc/16/01/35/554160135.db2.gz WVSXOSJTLOYNNM-WGDIFIGCSA-N 0 0 563.676 5.776 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@@H](c2ccc(Cl)cc2)N2CCCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000098048185 554160208 /nfs/dbraw/zinc/16/02/08/554160208.db2.gz PRYWGYKBWHPMHY-BDYUSTAISA-N 0 0 553.461 6.938 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1C ZINC000036061003 554160827 /nfs/dbraw/zinc/16/08/27/554160827.db2.gz KAPFZWXREFXTGR-UHFFFAOYSA-N 0 0 515.013 5.777 50 30 KKEARN CCCCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CCCC)cc3)cc2)c([N+](=O)[O-])c1 ZINC000098048374 554161578 /nfs/dbraw/zinc/16/15/78/554161578.db2.gz LBOVWKKEIUVARA-UHFFFAOYSA-N 0 0 533.621 7.725 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccccc3)nc(C)c2C(=O)Nc2ccccc2C)cc1OC ZINC000098048897 554162331 /nfs/dbraw/zinc/16/23/31/554162331.db2.gz JYWDMFPMEKUAQF-UHFFFAOYSA-N 0 0 537.641 6.482 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)N(c2ccccc2)c2ccccc2)c(C#N)c1-c1ccccc1F ZINC000098048871 554162366 /nfs/dbraw/zinc/16/23/66/554162366.db2.gz DMJLGNDMDZGCSS-UHFFFAOYSA-N 0 0 586.692 8.086 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000098049079 554162907 /nfs/dbraw/zinc/16/29/07/554162907.db2.gz QGGVIPDUMHKFEM-MUUNZHRXSA-N 0 0 574.475 6.038 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098049076 554162954 /nfs/dbraw/zinc/16/29/54/554162954.db2.gz FVXXPMDJWCGNEB-DEOSSOPVSA-N 0 0 566.521 6.700 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)c1 ZINC000098050105 554171958 /nfs/dbraw/zinc/17/19/58/554171958.db2.gz HFIDCBGTWIIXPJ-HHHXNRCGSA-N 0 0 539.588 5.585 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000098050106 554172052 /nfs/dbraw/zinc/17/20/52/554172052.db2.gz CZJSBNMUAZCYFA-MHZLTWQESA-N 0 0 569.614 5.593 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000098050117 554172330 /nfs/dbraw/zinc/17/23/30/554172330.db2.gz ZWIXJOZZKZNJEL-MUUNZHRXSA-N 0 0 583.641 5.902 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000098050606 554175532 /nfs/dbraw/zinc/17/55/32/554175532.db2.gz VSHCMWFKVGZKHC-RUZDIDTESA-N 0 0 540.454 5.684 50 30 biogenic,in-vitro KKEARN Clc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(Cl)cc5Cl)cc4nc3c2)c(Cl)c1 ZINC000100009063 554180565 /nfs/dbraw/zinc/18/05/65/554180565.db2.gz YWCVFUHSFYDLPF-KBVBXEEASA-N 0 0 523.250 9.503 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccccc1F ZINC000036116378 554181502 /nfs/dbraw/zinc/18/15/02/554181502.db2.gz VHXMPGYUUMIUAP-XMMPIXPASA-N 0 0 513.034 5.682 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)c1cccc(Cl)c1 ZINC000036117528 554185352 /nfs/dbraw/zinc/18/53/52/554185352.db2.gz RSTAWPZPDWYLLE-DEOSSOPVSA-N 0 0 511.043 5.243 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)c1cccc(Cl)c1 ZINC000036119316 554187576 /nfs/dbraw/zinc/18/75/76/554187576.db2.gz UXHALBHZSDWMKF-XMMPIXPASA-N 0 0 509.071 5.852 50 30 KKEARN COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/N=C/c3ccc(OC(=O)/C=C/c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC ZINC000100035543 554188779 /nfs/dbraw/zinc/18/87/79/554188779.db2.gz ZCJCCUOZWCFYOC-AXJCEIRKSA-N 0 0 620.658 6.412 50 30 biogenic KKEARN COc1ccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4cc(Br)ccc4O)cc3)cc2)cc1C ZINC000100036647 554190885 /nfs/dbraw/zinc/19/08/85/554190885.db2.gz MYAATMAEQWLBHQ-HRTPUDOWSA-N 0 0 563.473 6.806 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3c(F)cccc3Cl)cc2s1)c1ccc(Br)cc1 ZINC000100041760 554192665 /nfs/dbraw/zinc/19/26/65/554192665.db2.gz NEDLMNQNOGVGTP-KBKYJPHKSA-N 0 0 519.848 7.577 50 30 KKEARN CC(/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000100042059 554192707 /nfs/dbraw/zinc/19/27/07/554192707.db2.gz MQZIGYBFDRPAKN-UWFIBFSHSA-N 0 0 596.852 8.905 50 30 endogenous,investigational KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)Nc1ccc(C)cc1 ZINC000036122540 554194358 /nfs/dbraw/zinc/19/43/58/554194358.db2.gz GUFMNMWYCOABOQ-QHCPKHFHSA-N 0 0 505.640 5.290 50 30 KKEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 ZINC000100049149 554194377 /nfs/dbraw/zinc/19/43/77/554194377.db2.gz QGDVMOXXBQQMCW-FVDYQXORSA-N 0 0 528.377 7.454 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100052640 554194914 /nfs/dbraw/zinc/19/49/14/554194914.db2.gz OYAWYPSJENPRNG-SONOPUAISA-N 0 0 544.438 8.193 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)NCc1ccccc1 ZINC000100054560 554195661 /nfs/dbraw/zinc/19/56/61/554195661.db2.gz LRYJXAVYSGLMFO-LQKURTRISA-N 0 0 528.615 6.624 50 30 KKEARN Brc1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)cc1 ZINC000100055992 554196546 /nfs/dbraw/zinc/19/65/46/554196546.db2.gz LRAGWWHUZAFESQ-FDAWAROLSA-N 0 0 542.274 8.844 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100060010 554197897 /nfs/dbraw/zinc/19/78/97/554197897.db2.gz DDHYSZWCWMZPLL-HASSKWOGSA-N 0 0 593.733 9.984 50 30 KKEARN CC(C)c1ccc(NC(=O)N2CCS[C@@]23c2cc(F)ccc2N(Cc2cccc(C#N)c2)C3=O)cc1 ZINC000036163914 554199505 /nfs/dbraw/zinc/19/95/05/554199505.db2.gz CVFBJKXSMBHYBL-MUUNZHRXSA-N 0 0 500.599 5.801 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000100066285 554199797 /nfs/dbraw/zinc/19/97/97/554199797.db2.gz JIUCMOFQPPNNPR-DFNPGOQMSA-N 0 0 519.000 6.302 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc(I)c1O ZINC000100077786 554205089 /nfs/dbraw/zinc/20/50/89/554205089.db2.gz MLKJSKIPHVRBTE-BBWXTVSKSA-N 0 0 520.392 5.552 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100077311 554205139 /nfs/dbraw/zinc/20/51/39/554205139.db2.gz OSHRVAZBLVYRAC-GYCJOSAFSA-N 0 0 560.872 6.130 50 30 KKEARN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCc1ccccc1C#N ZINC000100079380 554205681 /nfs/dbraw/zinc/20/56/81/554205681.db2.gz ULKUZOCBFCPVMQ-OJYCWLPVSA-N 0 0 535.669 6.767 50 30 KKEARN Cc1ccc(C(C)C)c(OCCn2cc(/C=C3\S/C(=N\c4ccc(F)cc4)N(C4CCCCC4)C3=O)c3ccccc32)c1 ZINC000100080823 554206659 /nfs/dbraw/zinc/20/66/59/554206659.db2.gz ZKKUKECAWOCCIE-GMAKNDSLSA-N 0 0 595.784 9.228 50 30 KKEARN C=CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305391 554215346 /nfs/dbraw/zinc/21/53/46/554215346.db2.gz FIAMYXMUFKDXCL-QHCPKHFHSA-N 0 0 503.599 5.047 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100099264 554219624 /nfs/dbraw/zinc/21/96/24/554219624.db2.gz HQVVKJRPZUHMDY-MLSHRIESSA-N 0 0 521.854 6.482 50 30 KKEARN Cc1c(C(=NNc2ccc(Cl)cc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000100103191 554220121 /nfs/dbraw/zinc/22/01/21/554220121.db2.gz KSKOHUNVPMTDCU-LAKKEJQSSA-N 0 0 599.984 7.907 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105646 554220577 /nfs/dbraw/zinc/22/05/77/554220577.db2.gz PDRLZSJKUPLACU-QPRQTZNDSA-N 0 0 564.441 6.711 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105652 554220588 /nfs/dbraw/zinc/22/05/88/554220588.db2.gz AEJQFNRIBJBSNP-KUEVPICXSA-N 0 0 550.414 6.668 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100105667 554220605 /nfs/dbraw/zinc/22/06/05/554220605.db2.gz JVNDPPDPQWZJRG-MFZCXYBYSA-N 0 0 588.076 6.846 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100109128 554221110 /nfs/dbraw/zinc/22/11/10/554221110.db2.gz ZEWOTHUWDYZESA-TTWZNGTNSA-N 0 0 574.005 5.802 50 30 KKEARN CCCCCCCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccccc1 ZINC000100110774 554221522 /nfs/dbraw/zinc/22/15/22/554221522.db2.gz UPTQVTYMJOKEON-PLHZELPKSA-N 0 0 524.033 6.785 50 30 KKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(Br)c3)S2)c1 ZINC000100111110 554221780 /nfs/dbraw/zinc/22/17/80/554221780.db2.gz JKIKIBWHSLYLMQ-QRVIBDJDSA-N 0 0 572.322 7.299 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000100112287 554222222 /nfs/dbraw/zinc/22/22/22/554222222.db2.gz HPORFGFFQCQFIT-SVAFIVKMSA-N 0 0 553.706 7.993 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000100112275 554222235 /nfs/dbraw/zinc/22/22/35/554222235.db2.gz HPORFGFFQCQFIT-YQZLGSGWSA-N 0 0 553.706 7.993 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000100112281 554222279 /nfs/dbraw/zinc/22/22/79/554222279.db2.gz HPORFGFFQCQFIT-WRCWMGRMSA-N 0 0 553.706 7.993 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000100115661 554223253 /nfs/dbraw/zinc/22/32/53/554223253.db2.gz NVJUVUAKEBBVBE-YDZHTSKRSA-N 0 0 541.458 6.516 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)Nc2ccccc2Br)n1 ZINC000100120161 554224105 /nfs/dbraw/zinc/22/41/05/554224105.db2.gz UDQDCWSOHJKMCJ-OTNCWRBYSA-N 0 0 603.521 5.049 50 30 KKEARN CC1=CC(C)(C)N2C(=O)C(=NN=c3[nH]c4ccccc4s3)c3cc(OC(=O)c4ccccc4Cl)cc1c32 ZINC000100119937 554224130 /nfs/dbraw/zinc/22/41/30/554224130.db2.gz ZBGPBFYEBNCVGB-UQRQXUALSA-N 0 0 529.021 6.527 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1OCC(=O)OC ZINC000036611762 554225728 /nfs/dbraw/zinc/22/57/28/554225728.db2.gz XQMSDOQFOLBDQQ-UHFFFAOYSA-N 0 0 516.034 5.264 50 30 KKEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000100138008 554226940 /nfs/dbraw/zinc/22/69/40/554226940.db2.gz AVJKYSCKCXZVMO-UHFFFAOYSA-N 0 0 541.876 5.220 50 30 KKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100138556 554227350 /nfs/dbraw/zinc/22/73/50/554227350.db2.gz ATBPRHWKWAODOY-FQEVSTJZSA-N 0 0 512.572 6.667 50 30 KKEARN CCOC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000100141630 554227938 /nfs/dbraw/zinc/22/79/38/554227938.db2.gz VTEXTQTUQDQOOQ-JJKYIXSRSA-N 0 0 526.449 6.381 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142462 554228626 /nfs/dbraw/zinc/22/86/26/554228626.db2.gz GDHWSDSTWJBGRM-LBAGTPMLSA-N 0 0 588.488 6.512 50 30 KKEARN Cc1ccc(COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1 ZINC000100144887 554230039 /nfs/dbraw/zinc/23/00/39/554230039.db2.gz ZELRCZLUZGUFEA-UHFFFAOYSA-N 0 0 538.515 7.854 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000100144558 554230125 /nfs/dbraw/zinc/23/01/25/554230125.db2.gz UFBICEYDXVVFSP-WNFIAYLZSA-N 0 0 547.633 5.041 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144662 554230172 /nfs/dbraw/zinc/23/01/72/554230172.db2.gz BKOUDUVIUCUAQQ-VIWIEBFFSA-N 0 0 608.116 5.896 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100150864 554231304 /nfs/dbraw/zinc/23/13/04/554231304.db2.gz AERKSHSLNAQWEZ-DOEKTCAHSA-N 0 0 599.615 5.261 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000100155981 554232838 /nfs/dbraw/zinc/23/28/38/554232838.db2.gz OZOLEJCSVFFBGC-IENBMRAWSA-N 0 0 556.746 9.727 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100160331 554234438 /nfs/dbraw/zinc/23/44/38/554234438.db2.gz WMTKFPRXKGSNQB-AYRHNUGRSA-N 0 0 607.490 5.749 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000100167086 554237102 /nfs/dbraw/zinc/23/71/02/554237102.db2.gz RPYAYTGTVCLOFV-VRJISVGQSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000100167096 554237109 /nfs/dbraw/zinc/23/71/09/554237109.db2.gz JOJFUNNYSOKKAF-QKSIHUQKSA-N 0 0 564.210 9.799 50 30 KKEARN CCCCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3c4ccccc4Oc4ccccc43)C2=O)cc1 ZINC000100167672 554237720 /nfs/dbraw/zinc/23/77/20/554237720.db2.gz XFLZBXLXTMKBAZ-WMMMYUQOSA-N 0 0 557.781 9.303 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100171915 554238454 /nfs/dbraw/zinc/23/84/54/554238454.db2.gz GPVHZZXSRMWFEX-BTZRARBUSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172875 554239067 /nfs/dbraw/zinc/23/90/67/554239067.db2.gz YCLXLRHBBSQOFU-PNTFMKQHSA-N 0 0 623.634 5.462 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100172901 554239346 /nfs/dbraw/zinc/23/93/46/554239346.db2.gz SCIJCACZXIIDNH-IEZKXTBUSA-N 0 0 622.099 5.837 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1C#N ZINC000100176746 554240858 /nfs/dbraw/zinc/24/08/58/554240858.db2.gz UUMREIXAADNHRQ-KKMKTNMSSA-N 0 0 544.247 5.958 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100177210 554240886 /nfs/dbraw/zinc/24/08/86/554240886.db2.gz WLPDTSDGFIQIHW-RFLWCCGPSA-N 0 0 619.671 5.631 50 30 KKEARN CCCCOc1c(Cl)cc(/C=C2/CCC/C(=C/c3cc(Cl)c(OCCCC)c(OC)c3)C2=O)cc1OC ZINC000100177750 554240931 /nfs/dbraw/zinc/24/09/31/554240931.db2.gz BYPOAFDGMIEFCS-VMTNTFKOSA-N 0 0 547.519 8.588 50 30 KKEARN O=C1c2ccccc2S/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000100180489 554241684 /nfs/dbraw/zinc/24/16/84/554241684.db2.gz IJYFTUAQYCGQCQ-NDENLUEZSA-N 0 0 596.227 6.804 50 30 KKEARN CCCOc1c(Cl)cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000100182845 554242268 /nfs/dbraw/zinc/24/22/68/554242268.db2.gz JDIHBTRLMQLRJQ-HOFJZWJUSA-N 0 0 547.519 8.588 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N ZINC000100188020 554243312 /nfs/dbraw/zinc/24/33/12/554243312.db2.gz ICXZUSOJCHXQQX-VPUKRXIYSA-N 0 0 611.267 6.353 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000100194800 554245799 /nfs/dbraw/zinc/24/57/99/554245799.db2.gz BLOVUYYMTSPTAG-JJFYIABZSA-N 0 0 540.395 5.837 50 30 KKEARN CC/N=C1/S/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N1CC ZINC000100203452 554247225 /nfs/dbraw/zinc/24/72/25/554247225.db2.gz KPRKUYDJCGNYHO-WUGSENQOSA-N 0 0 538.511 6.748 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1ccccc1F ZINC000100215207 554249717 /nfs/dbraw/zinc/24/97/17/554249717.db2.gz SKHCMRLACLVYGA-DEOSSOPVSA-N 0 0 534.381 5.909 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000100215078 554249726 /nfs/dbraw/zinc/24/97/26/554249726.db2.gz WJUVFHQIWWJYOF-XMMPIXPASA-N 0 0 531.395 6.185 50 30 KKEARN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1ccccc1F ZINC000100214869 554249771 /nfs/dbraw/zinc/24/97/71/554249771.db2.gz UCYXHVPHLMJVKY-VWLOTQADSA-N 0 0 533.983 6.198 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2C#N)c(Br)c1 ZINC000100215623 554250013 /nfs/dbraw/zinc/25/00/13/554250013.db2.gz FOLRIWCXUJQRHV-RUZDIDTESA-N 0 0 541.401 5.641 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2C#N)c(Br)c1 ZINC000100215620 554250049 /nfs/dbraw/zinc/25/00/49/554250049.db2.gz FOLRIWCXUJQRHV-VWLOTQADSA-N 0 0 541.401 5.641 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217482 554251203 /nfs/dbraw/zinc/25/12/03/554251203.db2.gz HTPVQBYDRHVWJB-MEXAFARESA-N 0 0 566.079 5.728 50 30 KKEARN CCCC/N=C(/c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000100225454 554252914 /nfs/dbraw/zinc/25/29/14/554252914.db2.gz JPMBWDVIXHRAPU-BGABXYSRSA-N 0 0 550.522 7.403 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100229712 554255050 /nfs/dbraw/zinc/25/50/50/554255050.db2.gz HBRBGXPEAKPRRO-QHCPKHFHSA-N 0 0 561.409 5.571 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000100233467 554257796 /nfs/dbraw/zinc/25/77/96/554257796.db2.gz YMDGFNIOKOAHRP-BEEFZGGWSA-N 0 0 606.498 6.319 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C#N ZINC000100243918 554261078 /nfs/dbraw/zinc/26/10/78/554261078.db2.gz IDYXDIXBHUWGSO-BCHBDCPOSA-N 0 0 589.244 5.866 50 30 KKEARN C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000100243928 554261169 /nfs/dbraw/zinc/26/11/69/554261169.db2.gz SOVSPHFEPVGFCK-ACXHZZMFSA-N 0 0 549.469 6.323 50 30 KKEARN S=C(N/N=C/c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(Cl)c1)Nc1ccccc1 ZINC000100258533 554264863 /nfs/dbraw/zinc/26/48/63/554264863.db2.gz JIZKMPWTTLZKKA-VULFUBBASA-N 0 0 539.282 6.534 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000100269834 554268755 /nfs/dbraw/zinc/26/87/55/554268755.db2.gz DRCHWYVDMXYXFG-BWAHOGKJSA-N 0 0 538.090 6.941 50 30 KKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100270973 554269646 /nfs/dbraw/zinc/26/96/46/554269646.db2.gz KVOLOTNLHRRPNH-GCUVURNUSA-N 0 0 556.091 6.339 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000100275238 554271623 /nfs/dbraw/zinc/27/16/23/554271623.db2.gz LKHCVPDTDJKSJV-XGMHSBOJSA-N 0 0 553.478 6.287 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1c3ccccc3C2c2ccccc21 ZINC000038534886 554274939 /nfs/dbraw/zinc/27/49/39/554274939.db2.gz ZZUOZTOXFXQMQT-IOCNBNDJSA-N 0 0 512.487 6.192 50 30 KKEARN CCCCCCCCOCCNC(=O)NCCCCCCNC(=O)NCCOCCCCCCCC ZINC000100283847 554277189 /nfs/dbraw/zinc/27/71/89/554277189.db2.gz FARLIZALSRZSTI-UHFFFAOYSA-N 0 0 514.796 5.899 50 30 KKEARN COc1ccc(Br)cc1/C=C1/CC(C(C)(C)C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000100288006 554281176 /nfs/dbraw/zinc/28/11/76/554281176.db2.gz ZJFUERLOQULAKO-BJPQZVBLSA-N 0 0 548.315 7.721 50 30 KKEARN N#Cc1ccc(C2CC2)nc1SCC(=O)c1ccc(C(=O)CSc2nc(C3CC3)ccc2C#N)cc1 ZINC000039930959 554281232 /nfs/dbraw/zinc/28/12/32/554281232.db2.gz BINJPDXTHRJAEC-UHFFFAOYSA-N 0 0 510.644 5.925 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c(Br)cc1OCc1ccccc1 ZINC000100297280 554288870 /nfs/dbraw/zinc/28/88/70/554288870.db2.gz HFBWXXPUYCDAHC-YZFSDQBZSA-N 0 0 509.425 6.271 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000100307554 554296180 /nfs/dbraw/zinc/29/61/80/554296180.db2.gz PXHYSMRTAIGKCJ-XGLKJEJJSA-N 0 0 562.670 5.462 50 30 KKEARN COc1ccc(CCN2C(=O)CS/C2=N/c2c(Br)cc(F)cc2Br)cc1OC ZINC000100308545 554297234 /nfs/dbraw/zinc/29/72/34/554297234.db2.gz VUPKRIQHRJUTEP-FCDQGJHFSA-N 0 0 532.229 5.174 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000100312754 554301549 /nfs/dbraw/zinc/30/15/49/554301549.db2.gz VSJFBGRLYGQBSV-UHFFFAOYSA-N 0 0 540.081 6.081 50 30 KKEARN COc1cc(Br)c(/C=C2\S/C(=N/c3ccccc3F)N(C3CCCCC3)C2=O)cc1OC ZINC000100318494 554303835 /nfs/dbraw/zinc/30/38/35/554303835.db2.gz VKNBYYIMFJETCF-NOPZMTQPSA-N 0 0 519.436 6.542 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)c(OC)c1 ZINC000100331882 554314025 /nfs/dbraw/zinc/31/40/25/554314025.db2.gz NDRIKWDYFCQXPW-HRDREGIBSA-N 0 0 567.379 5.491 50 30 KKEARN COc1cc(C(=O)/C(=C/c2coc3ccc(F)cc3c2=O)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049551938 554323574 /nfs/dbraw/zinc/32/35/74/554323574.db2.gz MOBDCJIUPKLPOQ-GRSHGNNSSA-N 0 0 500.482 5.258 50 30 KKEARN FC(F)(F)C(c1ccc(C#Cc2ccccc2)cc1)(c1ccc(C#Cc2ccccc2)cc1)C(F)(F)F ZINC000050063376 554327473 /nfs/dbraw/zinc/32/74/73/554327473.db2.gz YGKAANXOPJHSST-UHFFFAOYSA-N 0 0 504.473 7.897 50 30 KKEARN COc1cc(C(=O)/C(=C\c2sc(N3CCCCC3)nc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065488 554328812 /nfs/dbraw/zinc/32/88/12/554328812.db2.gz GSRLQQZIHZELBT-KNTRCKAVSA-N 0 0 518.639 5.767 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)CCOc1ccc(C)cc1 ZINC000053253827 554330319 /nfs/dbraw/zinc/33/03/19/554330319.db2.gz MCAHCMYTMMVFID-UUWRZZSWSA-N 0 0 562.666 7.236 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000053253838 554330447 /nfs/dbraw/zinc/33/04/47/554330447.db2.gz KMTDCBMCAVUUBU-GDLZYMKVSA-N 0 0 555.428 6.899 50 30 KKEARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@H](C)O1 ZINC000053276014 554330679 /nfs/dbraw/zinc/33/06/79/554330679.db2.gz QMKFEVHPMXWHBC-JTTBUSJYSA-N 0 0 525.483 5.361 50 30 KKEARN COc1ccc(/N=C/c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3cc(OC)ccc3OC)c2C)cc1 ZINC000100349534 554330897 /nfs/dbraw/zinc/33/08/97/554330897.db2.gz GUPZFHNMXCQURG-RDRPBHBLSA-N 0 0 504.608 5.633 50 30 KKEARN O=C(/C=C\O/C=C\C(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000100352085 554331090 /nfs/dbraw/zinc/33/10/90/554331090.db2.gz OXIFIUZKKPMYDQ-HWAYABPNSA-N 0 0 530.099 5.005 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053291330 554331538 /nfs/dbraw/zinc/33/15/38/554331538.db2.gz PALGSGOSKGPQAV-SHACYNPGSA-N 0 0 533.005 6.065 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053292120 554332410 /nfs/dbraw/zinc/33/24/10/554332410.db2.gz XUWNUVHMNCPFGH-HHHXNRCGSA-N 0 0 572.639 5.875 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000053305759 554332780 /nfs/dbraw/zinc/33/27/80/554332780.db2.gz SYEDVJYNDJMTSC-MUUNZHRXSA-N 0 0 559.449 7.054 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305817 554332828 /nfs/dbraw/zinc/33/28/28/554332828.db2.gz IFVBPCFXWBAHBZ-HSZRJFAPSA-N 0 0 563.429 5.921 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305814 554332862 /nfs/dbraw/zinc/33/28/62/554332862.db2.gz IFVBPCFXWBAHBZ-QHCPKHFHSA-N 0 0 563.429 5.921 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053306165 554333496 /nfs/dbraw/zinc/33/34/96/554333496.db2.gz OCHLNDFNPHNFBB-DEOSSOPVSA-N 0 0 535.021 6.367 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000053306290 554333502 /nfs/dbraw/zinc/33/35/02/554333502.db2.gz RSGWAGAPLZXVFR-PMERELPUSA-N 0 0 590.657 6.738 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053307122 554334690 /nfs/dbraw/zinc/33/46/90/554334690.db2.gz MJHMUYPLHVPMRY-DEOSSOPVSA-N 0 0 529.574 6.003 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319144 554336325 /nfs/dbraw/zinc/33/63/25/554336325.db2.gz WXUREQIPKUCOFT-HSZRJFAPSA-N 0 0 532.574 5.114 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000100356154 554336829 /nfs/dbraw/zinc/33/68/29/554336829.db2.gz YHWBJFDMALHJIG-BNEICHJSSA-N 0 0 524.440 5.780 50 30 KKEARN CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319390 554337638 /nfs/dbraw/zinc/33/76/38/554337638.db2.gz DYVHNIKVZFYGBG-QHCPKHFHSA-N 0 0 565.445 6.249 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000053319438 554337854 /nfs/dbraw/zinc/33/78/54/554337854.db2.gz YLURVBPDUSIJMS-XDCSYDRFSA-N 0 0 565.714 8.373 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccccc2Cl)cc1 ZINC000053319488 554338334 /nfs/dbraw/zinc/33/83/34/554338334.db2.gz VPWWYTRFJBZEGV-HMILPKGGSA-N 0 0 553.024 8.100 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000053319523 554338665 /nfs/dbraw/zinc/33/86/65/554338665.db2.gz XWMHSTMHZLKCHB-YHZWMNSLSA-N 0 0 593.123 8.238 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000053332080 554338675 /nfs/dbraw/zinc/33/86/75/554338675.db2.gz FPMLZKWHBYTRPG-QHCPKHFHSA-N 0 0 523.383 5.030 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334285 554340131 /nfs/dbraw/zinc/34/01/31/554340131.db2.gz KDASUVYWBAVXPI-MHZLTWQESA-N 0 0 572.639 6.038 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053334601 554340290 /nfs/dbraw/zinc/34/02/90/554340290.db2.gz OZZFDJUTXAIBRU-AKJBCIBTSA-N 0 0 559.043 6.621 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335061 554340554 /nfs/dbraw/zinc/34/05/54/554340554.db2.gz VOJMNMILROOTDZ-SANMLTNESA-N 0 0 574.611 5.266 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053336144 554341431 /nfs/dbraw/zinc/34/14/31/554341431.db2.gz QWEFSURMYXRSCP-XGCWNURASA-N 0 0 575.086 7.235 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000053336184 554341461 /nfs/dbraw/zinc/34/14/61/554341461.db2.gz OIJIMBBIMRPKMP-MUUNZHRXSA-N 0 0 559.449 7.054 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336169 554341582 /nfs/dbraw/zinc/34/15/82/554341582.db2.gz LBSUXIAXGXSGIQ-MQNRADLISA-N 0 0 531.033 6.618 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053336869 554341923 /nfs/dbraw/zinc/34/19/23/554341923.db2.gz ARVUTJUCXDOALP-KWMCUTETSA-N 0 0 570.667 6.508 50 30 KKEARN N#Cc1c(-c2cccc(C(F)(F)F)c2)cc(-c2ccc(Br)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000053337828 554342282 /nfs/dbraw/zinc/34/22/82/554342282.db2.gz AKKOBQPGNLPGNO-UHFFFAOYSA-N 0 0 568.418 7.799 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000053337716 554342552 /nfs/dbraw/zinc/34/25/52/554342552.db2.gz TWUNGQXFURUYFL-NRUKRWIHSA-N 0 0 557.532 8.238 50 30 KKEARN Cc1ccc([C@@H]2c3c(N)c(C(=O)Nc4ccc(Cl)cc4C(=O)c4ccccc4)sc3NC3=C2C(=O)CCC3)o1 ZINC000053338233 554342707 /nfs/dbraw/zinc/34/27/07/554342707.db2.gz CYZCHLMESYISKW-DEOSSOPVSA-N 0 0 558.059 6.933 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053339600 554343603 /nfs/dbraw/zinc/34/36/03/554343603.db2.gz WKHDPUCKQSJOJS-YUYWZBKDSA-N 0 0 585.531 8.951 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053340098 554343824 /nfs/dbraw/zinc/34/38/24/554343824.db2.gz SWURJMMSXFHDAF-RUZDIDTESA-N 0 0 528.586 5.558 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053340313 554344281 /nfs/dbraw/zinc/34/42/81/554344281.db2.gz DPURGZNHFPJVKS-XMMPIXPASA-N 0 0 563.473 6.803 50 30 KKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc(C(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)cc2)n1 ZINC000053354390 554344615 /nfs/dbraw/zinc/34/46/15/554344615.db2.gz FAKQWRGLJFNHPD-UHFFFAOYSA-N 0 0 594.562 6.824 50 30 KKEARN N#Cc1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc(-c2cccs2)cc1C(F)(F)F ZINC000053354424 554344688 /nfs/dbraw/zinc/34/46/88/554344688.db2.gz UBHSTMDMJFMEAB-UHFFFAOYSA-N 0 0 560.047 8.276 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000053359630 554345331 /nfs/dbraw/zinc/34/53/31/554345331.db2.gz CRVCAZUSXJBDTC-ICACTRECSA-N 0 0 563.525 8.483 50 30 KKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c(OC)c1OC ZINC000053360237 554345482 /nfs/dbraw/zinc/34/54/82/554345482.db2.gz XUMPEUGFOXKETR-JYRCXFKTSA-N 0 0 546.620 5.718 50 30 KKEARN N#CCCN(Cc1cccnc1)C(=S)NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000053389114 554348400 /nfs/dbraw/zinc/34/84/00/554348400.db2.gz LYOFESVXFOTWSW-UHFFFAOYSA-N 0 0 530.451 5.490 50 30 KKEARN N#CCn1c(=O)c2c(-c3ccccc3)csc2nc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053391346 554348764 /nfs/dbraw/zinc/34/87/64/554348764.db2.gz NMCUXQNHTGUGIN-UHFFFAOYSA-N 0 0 544.990 5.038 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000056898836 554351465 /nfs/dbraw/zinc/35/14/65/554351465.db2.gz JCAULFRGWRHHIG-UHFFFAOYSA-N 0 0 598.972 7.619 50 30 in-man KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(C3CCCCC3)C1=O)S2 ZINC000100367601 554353834 /nfs/dbraw/zinc/35/38/34/554353834.db2.gz ZJJCRSVJRMQSGZ-BZUZNSEFSA-N 0 0 501.677 7.155 50 30 KKEARN C=CCS[C@]1(Br)NC2=C(CCCC2=Cc2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 ZINC000100389473 554365967 /nfs/dbraw/zinc/36/59/67/554365967.db2.gz BHDNWSOAPPDKCV-IKDROSPPSA-N 0 0 522.339 7.674 50 30 KKEARN N#Cc1c(C=CNc2ccc(Br)cc2)snc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000100408559 554374416 /nfs/dbraw/zinc/37/44/16/554374416.db2.gz YWFJFOQIGDGLJT-AATRIKPKSA-N 0 0 517.783 7.078 50 30 KKEARN FC(F)(F)c1cnc(N=NCc2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)c(Cl)c1 ZINC000100408474 554374431 /nfs/dbraw/zinc/37/44/31/554374431.db2.gz PTFHZCOAKCUPDY-YWHDFPIWSA-N 0 0 518.248 7.211 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100414677 554379586 /nfs/dbraw/zinc/37/95/86/554379586.db2.gz JSRLIVBRIJBJPL-FTFNENMSSA-N 0 0 546.849 6.402 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)cc2)cc1 ZINC000100415019 554380538 /nfs/dbraw/zinc/38/05/38/554380538.db2.gz KWFWTLYJWSVMSG-MHZLTWQESA-N 0 0 568.651 5.350 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100437189 554393041 /nfs/dbraw/zinc/39/30/41/554393041.db2.gz TZHDJGHRXFMASR-LYUDBTHLSA-N 0 0 540.688 8.092 50 30 KKEARN O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1)c1cccc(Cl)c1 ZINC000100457275 554396575 /nfs/dbraw/zinc/39/65/75/554396575.db2.gz JYPLNHPRVWYWLE-WCMJOSRZSA-N 0 0 554.271 8.055 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000100472310 554399787 /nfs/dbraw/zinc/39/97/87/554399787.db2.gz SWAGUYYZZPISGD-VUMVONDWSA-N 0 0 501.501 5.382 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000059513590 554400690 /nfs/dbraw/zinc/40/06/90/554400690.db2.gz SDPQLVHCYKYSQI-UVDDSOTQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000059513588 554400696 /nfs/dbraw/zinc/40/06/96/554400696.db2.gz SDPQLVHCYKYSQI-UGDMGKLASA-N 0 0 554.643 5.721 50 30 KKEARN O=C(OCc1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)ON1C(=O)CCC1=O ZINC000100484668 554402448 /nfs/dbraw/zinc/40/24/48/554402448.db2.gz XLFQCGUSTBBBAK-UHFFFAOYSA-N 0 0 595.308 6.075 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000059515171 554402781 /nfs/dbraw/zinc/40/27/81/554402781.db2.gz RFASBIOYCDECAK-IPBJYNAHSA-N 0 0 567.642 6.229 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000059515193 554402805 /nfs/dbraw/zinc/40/28/05/554402805.db2.gz XGLXUHNXNYXCHD-QHCPKHFHSA-N 0 0 582.520 6.319 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000059523756 554405199 /nfs/dbraw/zinc/40/51/99/554405199.db2.gz YFPDYFHTYVTSCG-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN O=C(/C=C/c1cc2c(cc1Br)OCCO2)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000100499423 554405271 /nfs/dbraw/zinc/40/52/71/554405271.db2.gz ZYCSZFCPZKLNSK-RMKNXTFCSA-N 0 0 522.782 6.278 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100550792 554414648 /nfs/dbraw/zinc/41/46/48/554414648.db2.gz QLBKATVESTXVBE-ZTOMLWHTSA-N 0 0 548.466 6.977 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000100552362 554415100 /nfs/dbraw/zinc/41/51/00/554415100.db2.gz AUQWYBAKCDNTOD-DFXYEROKSA-N 0 0 590.072 6.047 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000100553113 554415315 /nfs/dbraw/zinc/41/53/15/554415315.db2.gz CSENIHBGMSCXSP-MYUZEXMDSA-N 0 0 584.463 5.128 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C(C)C)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059627002 554415581 /nfs/dbraw/zinc/41/55/81/554415581.db2.gz OQDHZDWCCYGKEM-MRXNPFEDSA-N 0 0 576.948 6.225 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000100554310 554415811 /nfs/dbraw/zinc/41/58/11/554415811.db2.gz ZIAPDLGHZNSKQI-IPBJYNAHSA-N 0 0 558.074 6.723 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059630689 554416110 /nfs/dbraw/zinc/41/61/10/554416110.db2.gz JKRUNIRGKKONNB-LBPRGKRZSA-N 0 0 570.847 5.380 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100556760 554416302 /nfs/dbraw/zinc/41/63/02/554416302.db2.gz ZBZIWEHLDQVTOK-IEWVHIKDSA-N 0 0 553.655 5.825 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100557153 554416568 /nfs/dbraw/zinc/41/65/68/554416568.db2.gz ZGURNGYTFRSYSI-UZTOHYMASA-N 0 0 572.123 6.024 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100557148 554416624 /nfs/dbraw/zinc/41/66/24/554416624.db2.gz ZGURNGYTFRSYSI-XHCCPWGMSA-N 0 0 572.123 6.024 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100559608 554417415 /nfs/dbraw/zinc/41/74/15/554417415.db2.gz YLDRQZWRUAOEIV-NJHZRGNWSA-N 0 0 541.091 6.554 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100560234 554417772 /nfs/dbraw/zinc/41/77/72/554417772.db2.gz ALIALAMSHHENJN-JOTCCJEHSA-N 0 0 556.102 7.622 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100559866 554417776 /nfs/dbraw/zinc/41/77/76/554417776.db2.gz RWVLEFFZKFVDDP-ONOMSOESSA-N 0 0 536.068 6.595 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100559865 554417836 /nfs/dbraw/zinc/41/78/36/554417836.db2.gz RWVLEFFZKFVDDP-PBBNMVCDSA-N 0 0 536.068 6.595 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100559856 554417842 /nfs/dbraw/zinc/41/78/42/554417842.db2.gz RWVLEFFZKFVDDP-LGGPFLRQSA-N 0 0 536.068 6.595 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100561552 554418115 /nfs/dbraw/zinc/41/81/15/554418115.db2.gz ZRPPTSWNJVOPLN-VCTRWQRLSA-N 0 0 551.683 6.835 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100562442 554418729 /nfs/dbraw/zinc/41/87/29/554418729.db2.gz LQNXCHSXPRFQIS-HFJWLAOPSA-N 0 0 588.926 6.768 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100562443 554418755 /nfs/dbraw/zinc/41/87/55/554418755.db2.gz LQNXCHSXPRFQIS-DWXRJYCRSA-N 0 0 588.926 6.768 50 30 KKEARN O=C(/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1)c1ccccc1 ZINC000100563672 554419107 /nfs/dbraw/zinc/41/91/07/554419107.db2.gz ASNFSSFVYDNKON-RZWNPCLDSA-N 0 0 519.409 7.571 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100570159 554421600 /nfs/dbraw/zinc/42/16/00/554421600.db2.gz HAJBUKOLPPQXLX-LMQTZDNFSA-N 0 0 571.577 5.993 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100569926 554421653 /nfs/dbraw/zinc/42/16/53/554421653.db2.gz RXFVISQXYRAZMN-PNJMJVHGSA-N 0 0 523.998 5.238 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100570452 554421872 /nfs/dbraw/zinc/42/18/72/554421872.db2.gz GNBRKGPDJIKRIB-XMWFGAJLSA-N 0 0 552.052 5.686 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100574834 554422783 /nfs/dbraw/zinc/42/27/83/554422783.db2.gz ISIFQGNQYPHJJI-ACSYHNTCSA-N 0 0 610.545 6.800 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100575952 554423305 /nfs/dbraw/zinc/42/33/05/554423305.db2.gz MFNKFIPQRKPHSU-NDOVKIIASA-N 0 0 563.694 7.122 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000100579368 554424437 /nfs/dbraw/zinc/42/44/37/554424437.db2.gz MGLBASKIJQATJT-UKJJDJLKSA-N 0 0 542.720 6.779 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000100579766 554424804 /nfs/dbraw/zinc/42/48/04/554424804.db2.gz RFZXTBONJYJMSW-MGBGTMOVSA-N 0 0 535.062 8.945 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100581504 554425015 /nfs/dbraw/zinc/42/50/15/554425015.db2.gz MMHAGLMXNORVFF-CCLHPLFOSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000059706317 554425971 /nfs/dbraw/zinc/42/59/71/554425971.db2.gz NQNFBJVDSBFERH-WHLCRQNOSA-N 0 0 614.964 7.444 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706370 554425977 /nfs/dbraw/zinc/42/59/77/554425977.db2.gz HQFQZOTVWDDPPX-HVIPQOSHSA-N 0 0 537.656 6.241 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059706239 554425996 /nfs/dbraw/zinc/42/59/96/554425996.db2.gz QILMNIQOKVFMDD-SFRLIIPVSA-N 0 0 611.691 6.003 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000059706462 554426341 /nfs/dbraw/zinc/42/63/41/554426341.db2.gz PPVCRBFDVMPTRO-HVIPQOSHSA-N 0 0 536.672 5.909 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100587974 554427034 /nfs/dbraw/zinc/42/70/34/554427034.db2.gz LVHHEKUPNJQJQM-XBBWARJSSA-N 0 0 626.544 6.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000059735768 554427267 /nfs/dbraw/zinc/42/72/67/554427267.db2.gz CBIWVYWGIYHNIC-XFSFLGPDSA-N 0 0 584.669 5.730 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000100588119 554427336 /nfs/dbraw/zinc/42/73/36/554427336.db2.gz FJDFIRYVICNGSS-XRHLQHRESA-N 0 0 600.506 5.798 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000059735501 554427423 /nfs/dbraw/zinc/42/74/23/554427423.db2.gz OOPIBKKGCVISMZ-PVAZPRTOSA-N 0 0 598.696 6.120 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588030 554427462 /nfs/dbraw/zinc/42/74/62/554427462.db2.gz DSRPAMMUSFLZJP-CLYVBNDRSA-N 0 0 600.506 5.884 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100588168 554427583 /nfs/dbraw/zinc/42/75/83/554427583.db2.gz PJNUJSAIANWDJP-OGVWKLGRSA-N 0 0 583.681 5.834 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588302 554427905 /nfs/dbraw/zinc/42/79/05/554427905.db2.gz RDPGDHVHHQKNHS-LMKMVOKYSA-N 0 0 572.452 5.105 50 30 KKEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000059771689 554428650 /nfs/dbraw/zinc/42/86/50/554428650.db2.gz AMHYHZWOWQCEIG-UHFFFAOYSA-N 0 0 525.681 5.274 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100593282 554429248 /nfs/dbraw/zinc/42/92/48/554429248.db2.gz XSXODRCWRKHFEX-BCHFMIIMSA-N 0 0 545.554 5.274 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000100593170 554429250 /nfs/dbraw/zinc/42/92/50/554429250.db2.gz VVFSWESXYBQUSI-SLGOVJDISA-N 0 0 555.627 5.393 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100593371 554429416 /nfs/dbraw/zinc/42/94/16/554429416.db2.gz UWEVPHGZEHMWST-QLXKLKPCSA-N 0 0 586.479 5.495 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597715 554430342 /nfs/dbraw/zinc/43/03/42/554430342.db2.gz FYRVBYRBETUEAO-URNDWHGUSA-N 0 0 625.718 6.175 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597632 554430451 /nfs/dbraw/zinc/43/04/51/554430451.db2.gz PGZJUWUHDAQRNF-RCRUUEGKSA-N 0 0 563.647 5.341 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000100597780 554430614 /nfs/dbraw/zinc/43/06/14/554430614.db2.gz XGZIPJXFCHUPFI-WTYVLRPYSA-N 0 0 553.677 5.076 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000100600115 554431507 /nfs/dbraw/zinc/43/15/07/554431507.db2.gz CTWVORFQSQRVFJ-QCBOHVIISA-N 0 0 627.690 5.622 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100600068 554431549 /nfs/dbraw/zinc/43/15/49/554431549.db2.gz JGFVPAABMSPVDK-RCRUUEGKSA-N 0 0 563.647 5.343 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100600096 554431595 /nfs/dbraw/zinc/43/15/95/554431595.db2.gz DWEAFXJQMMECRF-NFQMXDRXSA-N 0 0 575.649 6.381 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000059824065 554431804 /nfs/dbraw/zinc/43/18/04/554431804.db2.gz DEWRUSMUEPJBSV-VWLOTQADSA-N 0 0 536.411 6.322 50 30 KKEARN O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=[NH+][N-]c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000100602139 554431829 /nfs/dbraw/zinc/43/18/29/554431829.db2.gz MKLWPBIUNYNEAH-JXIFQBNVSA-N 0 0 569.551 7.945 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650161 554437068 /nfs/dbraw/zinc/43/70/68/554437068.db2.gz RWWBTZIYKAIXBO-OAQYLSRUSA-N 0 0 534.376 6.106 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1=C1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000100660267 554438170 /nfs/dbraw/zinc/43/81/70/554438170.db2.gz MAJBDWQUVDTCDL-ADZFYQLHSA-N 0 0 616.760 10.228 50 30 KKEARN O=C(Oc1ccc(-c2ccc(O)cc2)cc1)[C@](F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F ZINC000100661836 554439088 /nfs/dbraw/zinc/43/90/88/554439088.db2.gz DJAOEKZXQIPPOC-AWEZNQCLSA-N 0 0 593.267 6.531 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)c1cc2cc(/N=N/c3cccc4cccc(O)c43)ccc2[nH]1 ZINC000100669529 554440693 /nfs/dbraw/zinc/44/06/93/554440693.db2.gz CDPRIEUJTXFRHR-ULDVOPSXSA-N 0 0 527.709 10.300 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 ZINC000100670073 554440998 /nfs/dbraw/zinc/44/09/98/554440998.db2.gz SUXCFFVYQFMDCP-GDLZYMKVSA-N 0 0 602.529 6.674 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000100669913 554441013 /nfs/dbraw/zinc/44/10/13/554441013.db2.gz AKEBGZHUZDOYDS-GDLZYMKVSA-N 0 0 597.033 7.553 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100669824 554441029 /nfs/dbraw/zinc/44/10/29/554441029.db2.gz QNRIIRXYVLYNGM-KMRXNPHXSA-N 0 0 548.630 7.428 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100669809 554441038 /nfs/dbraw/zinc/44/10/38/554441038.db2.gz QNRIIRXYVLYNGM-LYZGTLIUSA-N 0 0 548.630 7.428 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671795 554441589 /nfs/dbraw/zinc/44/15/89/554441589.db2.gz OUNMBFDRWVKVED-PMERELPUSA-N 0 0 540.660 6.272 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C4SC(C5CCCCC5)=NN4C3=N)cc2)c(OC)c1 ZINC000100672945 554441939 /nfs/dbraw/zinc/44/19/39/554441939.db2.gz ZFOMNGBLYBRFRF-QCKYWRINSA-N 0 0 544.677 6.081 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(SC)cc1 ZINC000100674054 554442528 /nfs/dbraw/zinc/44/25/28/554442528.db2.gz VVHFZLSNRTVJLO-OUIFVKKZSA-N 0 0 535.662 5.131 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(SC)cc1 ZINC000100674000 554442633 /nfs/dbraw/zinc/44/26/33/554442633.db2.gz NUXISBIELAMQPK-UCGXPXSYSA-N 0 0 535.662 5.131 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100674252 554442826 /nfs/dbraw/zinc/44/28/26/554442826.db2.gz GJLPHFLTOMXGTC-BUUDZMLXSA-N 0 0 558.458 5.716 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674622 554442915 /nfs/dbraw/zinc/44/29/15/554442915.db2.gz PLSCTKJFHNSZEB-UMSFTDKQSA-N 0 0 607.703 6.776 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100674284 554442928 /nfs/dbraw/zinc/44/29/28/554442928.db2.gz RWYQSMBXLVHFON-WTYVLRPYSA-N 0 0 530.571 5.982 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100680827 554446751 /nfs/dbraw/zinc/44/67/51/554446751.db2.gz LHAVDILIRFJDLH-PMERELPUSA-N 0 0 554.643 5.263 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681205 554447543 /nfs/dbraw/zinc/44/75/43/554447543.db2.gz UXBLYKJFFKLMDY-SVEHJYQDSA-N 0 0 551.680 6.056 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681209 554447604 /nfs/dbraw/zinc/44/76/04/554447604.db2.gz UXBLYKJFFKLMDY-VAVYLYDRSA-N 0 0 551.680 6.056 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000059844554 554447942 /nfs/dbraw/zinc/44/79/42/554447942.db2.gz KFHKMMHGGFDJBK-MRDQGFSESA-N 0 0 554.437 5.500 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000059844543 554448122 /nfs/dbraw/zinc/44/81/22/554448122.db2.gz IMODBXUNSJNCNZ-SSOJOUAXSA-N 0 0 556.453 5.485 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCC ZINC000100683629 554448629 /nfs/dbraw/zinc/44/86/29/554448629.db2.gz LAHIHSCTZXUIKE-ACJNQYEBSA-N 0 0 590.742 5.111 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100690731 554449932 /nfs/dbraw/zinc/44/99/32/554449932.db2.gz VONVIVQCDRGQAX-JHOBJCJYSA-N 0 0 579.715 5.677 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100691263 554450190 /nfs/dbraw/zinc/45/01/90/554450190.db2.gz MJSZSJQPURWNNM-RXFWQSSRSA-N 0 0 556.522 6.116 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100691570 554450197 /nfs/dbraw/zinc/45/01/97/554450197.db2.gz OBBARAORXXPLLL-XHCCPWGMSA-N 0 0 572.123 6.111 50 30 KKEARN Cc1ccc(C(=O)NC(NN/C(=N/c2ccc(F)cc2F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000100694911 554450685 /nfs/dbraw/zinc/45/06/85/554450685.db2.gz PUADJQFEYNLVFP-UHFFFAOYSA-N 0 0 522.318 5.211 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000100701564 554451688 /nfs/dbraw/zinc/45/16/88/554451688.db2.gz YSTCJTGQLZQQJY-OAQYLSRUSA-N 0 0 634.883 8.091 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100701577 554451961 /nfs/dbraw/zinc/45/19/61/554451961.db2.gz MRARVPKFPDUQRC-HSZRJFAPSA-N 0 0 537.041 8.103 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100701916 554452271 /nfs/dbraw/zinc/45/22/71/554452271.db2.gz HLBQJGPPTDDSNJ-NRFANRHFSA-N 0 0 577.877 8.793 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000100705448 554452758 /nfs/dbraw/zinc/45/27/58/554452758.db2.gz MPELJBNYRLUICT-GTYOFVGBSA-N 0 0 545.676 6.340 50 30 KKEARN CCCCCCCCCCCCCCCCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000100721424 554455458 /nfs/dbraw/zinc/45/54/58/554455458.db2.gz WQOLVHMCJKZTFC-UHFFFAOYSA-N 0 0 536.808 10.152 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100726541 554456863 /nfs/dbraw/zinc/45/68/63/554456863.db2.gz FTJLDFRDSDPRPM-HSZRJFAPSA-N 0 0 605.931 9.574 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100726544 554456971 /nfs/dbraw/zinc/45/69/71/554456971.db2.gz FTJLDFRDSDPRPM-QHCPKHFHSA-N 0 0 605.931 9.574 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000100726567 554457006 /nfs/dbraw/zinc/45/70/06/554457006.db2.gz GYEDEPQWUIYHTH-QHCPKHFHSA-N 0 0 555.031 8.406 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000100726783 554457166 /nfs/dbraw/zinc/45/71/66/554457166.db2.gz DUQUETWRAXSZIZ-DEOSSOPVSA-N 0 0 551.068 8.575 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCCS(=O)(=O)Cc1ccccc1 ZINC000100728142 554458394 /nfs/dbraw/zinc/45/83/94/554458394.db2.gz GYXGVNJLPWSBEL-UHFFFAOYSA-N 0 0 549.515 6.757 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@H](O)C[S@@](=O)Cc1ccccc1 ZINC000100728494 554458443 /nfs/dbraw/zinc/45/84/43/554458443.db2.gz UIJDLOUTLRCUGU-BHNGRWRESA-N 0 0 563.542 6.452 50 30 KKEARN CC(C)(C)c1ccc([S@](=O)C[C@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728670 554458748 /nfs/dbraw/zinc/45/87/48/554458748.db2.gz RVCQWJNMBDEEOW-CFCWSMIUSA-N 0 0 532.756 6.907 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100732010 554460303 /nfs/dbraw/zinc/46/03/03/554460303.db2.gz DZTLLLXFKVJZDB-UKDVSSAZSA-N 0 0 558.458 5.716 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736791 554461352 /nfs/dbraw/zinc/46/13/52/554461352.db2.gz VRFYXRFGGZFLFU-XMMPIXPASA-N 0 0 562.644 5.683 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000100738845 554462200 /nfs/dbraw/zinc/46/22/00/554462200.db2.gz GWUJUZFVDADVEL-UHFFFAOYSA-N 0 0 509.624 6.831 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5n[nH]cc5C[C@@]34C)[C@H]2C1 ZINC000100743730 554463729 /nfs/dbraw/zinc/46/37/29/554463729.db2.gz SIJVNGBTVXITIK-IVZSHBTMSA-N 0 0 506.731 6.577 50 30 biogenic KKEARN C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)nnc1-c1sc2ccccc2c1Cl ZINC000100759652 554467422 /nfs/dbraw/zinc/46/74/22/554467422.db2.gz ZYSVCWWKPWNQHE-UHFFFAOYSA-N 0 0 576.169 5.807 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000059895736 554472337 /nfs/dbraw/zinc/47/23/37/554472337.db2.gz WROGXQSRNUVXKM-DEOSSOPVSA-N 0 0 561.388 5.678 50 30 KKEARN COc1cc(Cc2ccc(NC=CC(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC=CC(=O)c1ccc(C)cc1 ZINC000100794536 554473601 /nfs/dbraw/zinc/47/36/01/554473601.db2.gz OUGNKRQQODCFAO-CLFAGFIQSA-N 0 0 546.667 7.528 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000100812339 554475197 /nfs/dbraw/zinc/47/51/97/554475197.db2.gz UGAKWIOOXYVLFF-QUMGSSFMSA-N 0 0 542.513 5.083 50 30 KKEARN CC(=O)Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(C)=O)c1 ZINC000100813508 554475580 /nfs/dbraw/zinc/47/55/80/554475580.db2.gz WEAVZOLHHRHJST-UHFFFAOYSA-N 0 0 522.286 5.424 50 30 KKEARN CCCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100814992 554476207 /nfs/dbraw/zinc/47/62/07/554476207.db2.gz VRLAZNVOXSQFKU-DWAMOBLFSA-N 0 0 595.581 8.875 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000100823076 554481310 /nfs/dbraw/zinc/48/13/10/554481310.db2.gz AKHVTQLCAVJHTI-INIZCTEOSA-N 0 0 517.748 6.299 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000100829790 554482497 /nfs/dbraw/zinc/48/24/97/554482497.db2.gz QWSJQEWUFLUZBL-JWGURIENSA-N 0 0 504.515 7.594 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000100835378 554483509 /nfs/dbraw/zinc/48/35/09/554483509.db2.gz PTILGJFLCKRMFJ-KALPRAJFSA-N 0 0 547.836 6.036 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OCC)cc3)C2=O)SC1=S ZINC000100836472 554483729 /nfs/dbraw/zinc/48/37/29/554483729.db2.gz LIEBGOWSYYVXTI-QPLCGJKRSA-N 0 0 551.734 6.003 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100837519 554484306 /nfs/dbraw/zinc/48/43/06/554484306.db2.gz JJNMPQOJDMVKJL-VVLSBWROSA-N 0 0 618.667 5.569 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S ZINC000100837900 554484599 /nfs/dbraw/zinc/48/45/99/554484599.db2.gz BWNCAAJAPWTJJO-IADYIPOJSA-N 0 0 561.817 8.526 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000100838476 554485949 /nfs/dbraw/zinc/48/59/49/554485949.db2.gz ISYCYZNWMBRXGB-VAMRJTSQSA-N 0 0 599.797 8.819 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)CC)cc3)cc2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 ZINC000100841033 554489446 /nfs/dbraw/zinc/48/94/46/554489446.db2.gz SINRXHSTPVXJOU-TYHGNQNSSA-N 0 0 616.802 10.026 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100842507 554489981 /nfs/dbraw/zinc/48/99/81/554489981.db2.gz INAKWCMQBPRSDX-RQLGBQGVSA-N 0 0 557.480 5.593 50 30 KKEARN O=C(CC1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 ZINC000100844068 554490562 /nfs/dbraw/zinc/49/05/62/554490562.db2.gz KVVJBHCZWDXPFH-ZMDMETAQSA-N 0 0 523.412 5.022 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1Cc1cccc2ccccc21 ZINC000100845008 554490894 /nfs/dbraw/zinc/49/08/94/554490894.db2.gz ABTPEDBNDIKJSD-UHFFFAOYSA-N 0 0 510.810 11.042 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850050 554492613 /nfs/dbraw/zinc/49/26/13/554492613.db2.gz MFRNVEBLHNEBSS-CMVGPNDKSA-N 0 0 551.683 6.979 50 30 KKEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000100866300 554497139 /nfs/dbraw/zinc/49/71/39/554497139.db2.gz KKHWFDPCXBCKEQ-HKBQPEDESA-N 0 0 606.700 7.374 50 30 KKEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000100868538 554497543 /nfs/dbraw/zinc/49/75/43/554497543.db2.gz FGGXAUKILYLZIU-SANMLTNESA-N 0 0 624.615 8.660 50 30 KKEARN COc1ccc(-c2csc(C3=C(N)N(C[C@]4(C)CCC[C@]5(C)c6ccc(C(C)C)cc6CC[C@@H]45)CC3=O)n2)cc1OC ZINC000060044977 554497546 /nfs/dbraw/zinc/49/75/46/554497546.db2.gz ZRSJTZZHZQWVNB-PFESQZPFSA-N 0 0 585.814 7.173 50 30 biogenic KKEARN COc1ccc(-c2csc(C3=C(N)N(C[C@]4(C)CCC[C@@]5(C)c6ccc(C(C)C)cc6CC[C@H]45)CC3=O)n2)cc1OC ZINC000060044983 554497589 /nfs/dbraw/zinc/49/75/89/554497589.db2.gz ZRSJTZZHZQWVNB-DCCHFUKUSA-N 0 0 585.814 7.173 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3)C2=O)SC1=S ZINC000100871314 554499019 /nfs/dbraw/zinc/49/90/19/554499019.db2.gz KDAAWTLOIQPXEB-VHXPQNKSSA-N 0 0 523.680 5.222 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCCCCCC)C2=O)c(C)c1 ZINC000100871483 554499323 /nfs/dbraw/zinc/49/93/23/554499323.db2.gz RCOKTURCDKQJBI-MKCFTUBBSA-N 0 0 601.882 9.535 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000100871680 554499937 /nfs/dbraw/zinc/49/99/37/554499937.db2.gz VIWUEDRHGSCCFZ-QLTSDVKISA-N 0 0 607.861 9.589 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S ZINC000100873096 554502316 /nfs/dbraw/zinc/50/23/16/554502316.db2.gz PZQBOEPHCOCOLI-TZHWMEPESA-N 0 0 603.898 9.696 50 30 KKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000100874386 554503038 /nfs/dbraw/zinc/50/30/38/554503038.db2.gz JZOYIHNISIITQG-BZZOAKBMSA-N 0 0 505.434 5.589 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000100888944 554510276 /nfs/dbraw/zinc/51/02/76/554510276.db2.gz ICBAIGVYDYVBNC-UHFFFAOYSA-N 0 0 528.074 6.308 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCCCC)C2=O)SC1=S ZINC000100893064 554512811 /nfs/dbraw/zinc/51/28/11/554512811.db2.gz BZCMNJCXSUAAQA-DQRAZIAOSA-N 0 0 537.589 7.308 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C2=N)S1 ZINC000064600019 554513142 /nfs/dbraw/zinc/51/31/42/554513142.db2.gz SPGXICDIADVVMK-AGEZNUCUSA-N 0 0 601.542 7.546 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1OC ZINC000100906606 554515861 /nfs/dbraw/zinc/51/58/61/554515861.db2.gz PUUPUDUGPYATBE-QOMWVZHYSA-N 0 0 519.711 6.411 50 30 KKEARN CC(C)(C)C1=CC(=Nc2ccc(-c3ccc(N=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3)cc2)C=C(C(C)(C)C)C1=O ZINC000100911765 554518014 /nfs/dbraw/zinc/51/80/14/554518014.db2.gz NJNBAZRFKNWZIO-UHFFFAOYSA-N 0 0 588.836 10.554 50 30 KKEARN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100913286 554518826 /nfs/dbraw/zinc/51/88/26/554518826.db2.gz UPAFRBCLMXANIU-UHFFFAOYSA-N 0 0 564.813 7.385 50 30 KKEARN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]1c1cccc2ccccc21 ZINC000100914907 554519350 /nfs/dbraw/zinc/51/93/50/554519350.db2.gz GVKLSXRDTRWCEM-RZDMPUFOSA-N 0 0 516.553 5.682 50 30 KKEARN CCCCCCCc1ccc(-c2c3c(nc(CC(C)=Nc4ccccc4F)c2C#N)-c2ccccc2C3=O)cc1 ZINC000100917927 554520260 /nfs/dbraw/zinc/52/02/60/554520260.db2.gz TUFGEJYTFSVQPK-XTQSDGFTSA-N 0 0 529.659 8.957 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000100918036 554520539 /nfs/dbraw/zinc/52/05/39/554520539.db2.gz QIVNLUMCIFQEHG-DFHRPNOPSA-N 0 0 565.688 5.148 50 30 KKEARN O=C(c1ccc(Cl)cc1)C(C=NOCc1ccc(Cl)cc1Cl)C=NOCc1ccc(Cl)cc1Cl ZINC000100923027 554522900 /nfs/dbraw/zinc/52/29/00/554522900.db2.gz GJMLSJLCSIVQRG-CHBSYIIJSA-N 0 0 558.676 8.628 50 30 KKEARN Cn1nc(C(F)(F)F)c(/C(=N/c2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc2Cl)c1Cl ZINC000100924194 554523154 /nfs/dbraw/zinc/52/31/54/554523154.db2.gz WTNWIUVCCMFNRK-RHANQZHGSA-N 0 0 516.656 7.575 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000100935124 554529164 /nfs/dbraw/zinc/52/91/64/554529164.db2.gz SGHWMASVWYGNPR-HKBQPEDESA-N 0 0 548.605 6.257 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100955703 554539178 /nfs/dbraw/zinc/53/91/78/554539178.db2.gz QZRFGNYMPDZPSW-FJOMVMCCSA-N 0 0 540.041 5.526 50 30 KKEARN O=C(c1ccccc1)c1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000068572920 554540048 /nfs/dbraw/zinc/54/00/48/554540048.db2.gz GQMIRRJJGOXHCJ-UHFFFAOYSA-N 0 0 608.339 6.590 50 30 KKEARN O=C(Nc1nc[nH]n1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068574611 554540107 /nfs/dbraw/zinc/54/01/07/554540107.db2.gz JTLWKPHTJZCFLG-INEUFUBQSA-N 0 0 562.136 5.265 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2cccs2)cc1 ZINC000100960028 554542175 /nfs/dbraw/zinc/54/21/75/554542175.db2.gz TVMNQFMCRLAUTC-JIDDHEAESA-N 0 0 537.663 5.484 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000100969118 554543333 /nfs/dbraw/zinc/54/33/33/554543333.db2.gz SWGYWJZREAYHTL-AUEMQQPVSA-N 0 0 541.551 5.653 50 30 KKEARN CCOC(=O)c1ccc(NN=CC(=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000100969965 554543677 /nfs/dbraw/zinc/54/36/77/554543677.db2.gz BXRZQYWGHPWSGW-QNKGDIEWSA-N 0 0 575.581 5.618 50 30 KKEARN COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)S2)cc1Br ZINC000100971850 554544055 /nfs/dbraw/zinc/54/40/55/554544055.db2.gz DWWXBSYDDNISCB-CZQMKQKNSA-N 0 0 530.187 5.267 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2F)cc1 ZINC000100980367 554547430 /nfs/dbraw/zinc/54/74/30/554547430.db2.gz JEQWHBVLXSNXOD-CALDVZBHSA-N 0 0 549.624 5.214 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000100988755 554549360 /nfs/dbraw/zinc/54/93/60/554549360.db2.gz BFQTVECASCGQTM-MRSWKSNDSA-N 0 0 603.443 5.516 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=c1/s/c(=C/c2ccccc2Cl)c(=O)n1-c1ccccc1 ZINC000100989121 554549640 /nfs/dbraw/zinc/54/96/40/554549640.db2.gz ALARVLXXOVGPRP-QYLHULHTSA-N 0 0 526.832 5.001 50 30 KKEARN CCCCCCCCCCCCCCCc1cccc(O[C@H](CC)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000100990510 554549893 /nfs/dbraw/zinc/54/98/93/554549893.db2.gz MBQFWSCVWKJOKE-SSEXGKCCSA-N 0 0 545.164 9.678 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c(I)o1)N(C(C)=O)c1ccccc1-2 ZINC000101011542 554558059 /nfs/dbraw/zinc/55/80/59/554558059.db2.gz SVZXZSOUITVNHK-GOSISDBHSA-N 0 0 585.221 5.221 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S ZINC000101011890 554558315 /nfs/dbraw/zinc/55/83/15/554558315.db2.gz RROKWJMTNIMEGH-NMWGTECJSA-N 0 0 528.788 6.885 50 30 KKEARN CCCCCCCCSC[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000101020003 554561324 /nfs/dbraw/zinc/56/13/24/554561324.db2.gz DGFIEZZHLZDBMQ-AREMUKBSSA-N 0 0 504.765 8.142 50 30 KKEARN O=C(C=Cc1ccc(Br)cc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1Cl ZINC000101063159 554570648 /nfs/dbraw/zinc/57/06/48/554570648.db2.gz UEJNFXPLPXJDPD-KPKJPENVSA-N 0 0 543.642 7.682 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101064570 554572495 /nfs/dbraw/zinc/57/24/95/554572495.db2.gz MTAVHCRTRCFZBT-IBHPWDLASA-N 0 0 603.472 5.980 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069783 554574086 /nfs/dbraw/zinc/57/40/86/554574086.db2.gz QVOMZPVTXSFSIX-MOBKVPTQSA-N 0 0 519.420 6.302 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000101071488 554575720 /nfs/dbraw/zinc/57/57/20/554575720.db2.gz FPTPRRWFGYECFJ-OAQYLSRUSA-N 0 0 540.443 5.899 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1)c1ccccc1 ZINC000101079987 554578710 /nfs/dbraw/zinc/57/87/10/554578710.db2.gz IINGMAWPXJGFJD-GUBAARJWSA-N 0 0 538.611 6.995 50 30 KKEARN Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O ZINC000101081067 554578928 /nfs/dbraw/zinc/57/89/28/554578928.db2.gz BIKIIKRVHAYSDV-MEFGMAGPSA-N 0 0 515.816 5.781 50 30 KKEARN C=CCc1ccccc1OCCn1cccc1/C=C1/C(=N)N2N=C(SCc3ccccc3)SC2=NC1=O ZINC000101084003 554580239 /nfs/dbraw/zinc/58/02/39/554580239.db2.gz MSJZRZVYADUZCS-HZHFLECPSA-N 0 0 527.675 5.806 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 ZINC000101088391 554581145 /nfs/dbraw/zinc/58/11/45/554581145.db2.gz XTEFGVGZMBTNAW-STBIYBPSSA-N 0 0 586.922 5.139 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OCc1c(F)cccc1Cl ZINC000101090571 554581943 /nfs/dbraw/zinc/58/19/43/554581943.db2.gz VOWOFEPAIVZKRN-KBVAKVRCSA-N 0 0 548.022 6.042 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)c(OC)c2)SC1=S ZINC000101095235 554584465 /nfs/dbraw/zinc/58/44/65/554584465.db2.gz PLTYSZXPTZOCAB-CIAFOILYSA-N 0 0 547.496 5.479 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000101101284 554588206 /nfs/dbraw/zinc/58/82/06/554588206.db2.gz IAHYSFPVCVAELP-TXTDGAROSA-N 0 0 569.455 6.353 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101661 554638891 /nfs/dbraw/zinc/63/88/91/554638891.db2.gz ZYNBLMOPVCIKHY-ASBZNUFUSA-N 0 0 525.449 6.363 50 30 KKEARN C=C(C)[C@@H]1C[C@H](N(CCC)C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)s2)C[C@H]2c3ccccc3C(=O)N21 ZINC000101121831 554643903 /nfs/dbraw/zinc/64/39/03/554643903.db2.gz KBFCAXWQBVSMIU-NAYUSWPISA-N 0 0 552.784 8.619 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000101128977 554647666 /nfs/dbraw/zinc/64/76/66/554647666.db2.gz LAOCLMRATYHKLT-BGABXYSRSA-N 0 0 575.844 9.060 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1OC ZINC000101143193 554655193 /nfs/dbraw/zinc/65/51/93/554655193.db2.gz XBFMPCJUDDCDDR-VYNOSQOZSA-N 0 0 537.576 5.382 50 30 KKEARN N#Cc1ccc(C#N)c2cc(/C=C/c3ccc(/C=C\c4ccc5c(C#N)ccc(C#N)c5c4)c(Br)c3)ccc12 ZINC000101144557 554655626 /nfs/dbraw/zinc/65/56/26/554655626.db2.gz JDSKAINDZBCROD-YDCWOTKKSA-N 0 0 561.442 8.583 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000101157934 554659096 /nfs/dbraw/zinc/65/90/96/554659096.db2.gz OZCQRHAJPIKACS-OBWVVCRQSA-N 0 0 526.755 7.188 50 30 biogenic KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000101162981 554660602 /nfs/dbraw/zinc/66/06/02/554660602.db2.gz PGYQQEYWYHVHOW-OXSPQAICSA-N 0 0 584.507 6.265 50 30 biogenic,in-vitro KKEARN CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000101184792 554668890 /nfs/dbraw/zinc/66/88/90/554668890.db2.gz RNFWJCUMZJHAIK-UHFFFAOYSA-N 0 0 538.515 8.282 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1Cl ZINC000101184973 554668931 /nfs/dbraw/zinc/66/89/31/554668931.db2.gz YEZHHTKDFLRXSF-UHFFFAOYSA-N 0 0 569.485 7.800 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000101194588 554671793 /nfs/dbraw/zinc/67/17/93/554671793.db2.gz BLAYSRDLQMWOLT-SMSORMJASA-N 0 0 549.664 5.432 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000101194681 554672030 /nfs/dbraw/zinc/67/20/30/554672030.db2.gz CUOKXDFEBQDKHH-DICHSLLOSA-N 0 0 537.656 6.160 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(C)c2)cc1OC ZINC000101194686 554672081 /nfs/dbraw/zinc/67/20/81/554672081.db2.gz CUOKXDFEBQDKHH-HVIPQOSHSA-N 0 0 537.656 6.160 50 30 KKEARN C=CCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000101200797 554672796 /nfs/dbraw/zinc/67/27/96/554672796.db2.gz LTXOGPHKTVXUDM-UHFFFAOYSA-N 0 0 567.730 6.708 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101204498 554674604 /nfs/dbraw/zinc/67/46/04/554674604.db2.gz VUSFXZSLIZCAHC-JPQMRUPTSA-N 0 0 589.685 5.875 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000101207578 554677101 /nfs/dbraw/zinc/67/71/01/554677101.db2.gz LDONXLJXDDIFQM-AREMUKBSSA-N 0 0 538.113 6.750 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 ZINC000101208644 554677846 /nfs/dbraw/zinc/67/78/46/554677846.db2.gz ULZOKYAFKNDWGC-UHSQPCAPSA-N 0 0 600.763 6.855 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209571 554678528 /nfs/dbraw/zinc/67/85/28/554678528.db2.gz CDXQSDZNIDWFML-UHFFFAOYSA-N 0 0 546.520 6.497 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C(=O)c1cccc(Br)c1 ZINC000101209951 554678547 /nfs/dbraw/zinc/67/85/47/554678547.db2.gz OWTVEWOOEFSQSP-XMMPIXPASA-N 0 0 539.495 5.652 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1Cl ZINC000101210462 554679015 /nfs/dbraw/zinc/67/90/15/554679015.db2.gz BANNSPTZGARUQM-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212694 554679787 /nfs/dbraw/zinc/67/97/87/554679787.db2.gz NXTXJLYATBYHFJ-RZFQCGOMSA-N 0 0 615.726 7.388 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212758 554679980 /nfs/dbraw/zinc/67/99/80/554679980.db2.gz BHBMIDXCFSGASY-UXCMTWRGSA-N 0 0 593.720 7.130 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212765 554680006 /nfs/dbraw/zinc/68/00/06/554680006.db2.gz BHBMIDXCFSGASY-QYTMHSNXSA-N 0 0 593.720 7.130 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218064 554685024 /nfs/dbraw/zinc/68/50/24/554685024.db2.gz RSPZQUXAYINXQZ-FOPBOCKXSA-N 0 0 581.709 6.844 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101218078 554685231 /nfs/dbraw/zinc/68/52/31/554685231.db2.gz DZRDBDSDWREQQL-CAQRMWTPSA-N 0 0 603.712 6.265 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218212 554685235 /nfs/dbraw/zinc/68/52/35/554685235.db2.gz OLEOOCSRPJRCNO-WKMHUNOVSA-N 0 0 581.709 6.986 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218297 554685239 /nfs/dbraw/zinc/68/52/39/554685239.db2.gz ZWKGRFQRENBPSE-KLFBTDGFSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000101218400 554685471 /nfs/dbraw/zinc/68/54/71/554685471.db2.gz BAWREZYJZHAZFV-GDJIYFAZSA-N 0 0 630.532 5.510 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218373 554685497 /nfs/dbraw/zinc/68/54/97/554685497.db2.gz PWTSVGHRURVVQH-WJVKJDHCSA-N 0 0 611.735 6.613 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218380 554685509 /nfs/dbraw/zinc/68/55/09/554685509.db2.gz PWTSVGHRURVVQH-CVYDZTKKSA-N 0 0 611.735 6.613 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218546 554685672 /nfs/dbraw/zinc/68/56/72/554685672.db2.gz RQCMAQLFZPGHAM-HEIROHQZSA-N 0 0 585.653 5.402 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101218639 554685928 /nfs/dbraw/zinc/68/59/28/554685928.db2.gz PJSZRQSGVXQJKF-OOXUFLSTSA-N 0 0 597.708 6.606 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101218591 554685953 /nfs/dbraw/zinc/68/59/53/554685953.db2.gz ZCIBPDLQUXDVRG-NLGDKJDOSA-N 0 0 597.664 5.474 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220667 554686566 /nfs/dbraw/zinc/68/65/66/554686566.db2.gz ZISCNSCBDFMPAA-XDBZFTIUSA-N 0 0 616.505 5.035 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220738 554686860 /nfs/dbraw/zinc/68/68/60/554686860.db2.gz LXSVSLNPPCLZHL-XBBWARJSSA-N 0 0 630.532 5.425 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CCCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237402 554691943 /nfs/dbraw/zinc/69/19/43/554691943.db2.gz FAXYYQGOUHWXJG-SQHAQQRYSA-N 0 0 566.624 5.114 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(C)c3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101237860 554692381 /nfs/dbraw/zinc/69/23/81/554692381.db2.gz PHEKOYTZOQPBRI-GGXMVOPNSA-N 0 0 555.078 5.555 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237987 554692497 /nfs/dbraw/zinc/69/24/97/554692497.db2.gz LYETVLYHMYMSHU-SVBPBHIXSA-N 0 0 576.575 5.443 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237950 554692572 /nfs/dbraw/zinc/69/25/72/554692572.db2.gz AOKXRZUWAZKPDO-IZZNHLLZSA-N 0 0 564.539 5.573 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276789 554703190 /nfs/dbraw/zinc/70/31/90/554703190.db2.gz SLJYPJFFKLYQKB-TXTDGAROSA-N 0 0 594.689 6.616 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277460 554704002 /nfs/dbraw/zinc/70/40/02/554704002.db2.gz LTVQCKQQTOJEKK-TVXPFAQOSA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278341 554705048 /nfs/dbraw/zinc/70/50/48/554705048.db2.gz GHKBFIIPGICHNS-SOIUSXPSSA-N 0 0 560.628 5.143 50 30 KKEARN C=CCO[C@H](CN1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)CC1)c1cccc(N2CCCC2)c1 ZINC000101278877 554705065 /nfs/dbraw/zinc/70/50/65/554705065.db2.gz RYWCSKJEINVPSN-AREMUKBSSA-N 0 0 569.533 6.259 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Cl)ccc1OC(F)F ZINC000101285760 554705732 /nfs/dbraw/zinc/70/57/32/554705732.db2.gz OAPSHYQHBVNJDP-HSZRJFAPSA-N 0 0 503.977 7.094 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@H](c3ccc(Cl)cc3)C12 ZINC000101288095 554706646 /nfs/dbraw/zinc/70/66/46/554706646.db2.gz MVOONPDFPULJSW-MUUNZHRXSA-N 0 0 566.086 7.568 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101289334 554707271 /nfs/dbraw/zinc/70/72/71/554707271.db2.gz KWQTYMTTZILJOC-QFIPXVFZSA-N 0 0 548.621 5.188 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293939 554710248 /nfs/dbraw/zinc/71/02/48/554710248.db2.gz VSMLCPOIJYZEBV-IUKMQXEJSA-N 0 0 531.033 6.703 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4c(C(=O)Nc5ccccc5)cnn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000101297871 554712531 /nfs/dbraw/zinc/71/25/31/554712531.db2.gz NXKKFKMPNQUNPN-YKGWIAGDSA-N 0 0 534.616 5.877 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000101310221 554717039 /nfs/dbraw/zinc/71/70/39/554717039.db2.gz YRAXBYHMDIMMDU-ROBPHKHBSA-N 0 0 515.562 5.188 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000101310216 554717115 /nfs/dbraw/zinc/71/71/15/554717115.db2.gz YRAXBYHMDIMMDU-NSOCNUKWSA-N 0 0 515.562 5.188 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000101310224 554717231 /nfs/dbraw/zinc/71/72/31/554717231.db2.gz YRAXBYHMDIMMDU-FZIYRNTBSA-N 0 0 515.562 5.188 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310240 554717254 /nfs/dbraw/zinc/71/72/54/554717254.db2.gz DCHFWOOTLYCADW-SSELITHESA-N 0 0 574.655 5.567 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310234 554717352 /nfs/dbraw/zinc/71/73/52/554717352.db2.gz DCHFWOOTLYCADW-UJWLLDLUSA-N 0 0 574.655 5.567 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310249 554717380 /nfs/dbraw/zinc/71/73/80/554717380.db2.gz WGMYAUMKMRAHFP-WNQPQFFOSA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313742 554722131 /nfs/dbraw/zinc/72/21/31/554722131.db2.gz HJMOHZVMTZWQHJ-UJWLLDLUSA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313670 554722238 /nfs/dbraw/zinc/72/22/38/554722238.db2.gz PTRACXRQXCDCRQ-DDLGZMGRSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316570 554723724 /nfs/dbraw/zinc/72/37/24/554723724.db2.gz UYCHDWNIUWOMOU-FPRSLYQBSA-N 0 0 568.651 6.210 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C)cc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101335554 554734340 /nfs/dbraw/zinc/73/43/40/554734340.db2.gz DBIROYAQQCZYOU-ZYVHIHPKSA-N 0 0 527.588 5.763 50 30 KKEARN C=CCn1c(SCc2ccc(CC(=O)OCC(=O)c3ccccc3)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101364868 554743500 /nfs/dbraw/zinc/74/35/00/554743500.db2.gz GEEXKWIWPQPBED-UHFFFAOYSA-N 0 0 610.739 7.607 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](O)c1ccccc1 ZINC000101362765 554743516 /nfs/dbraw/zinc/74/35/16/554743516.db2.gz UTIVHWRGNKJPEC-URLMMPGGSA-N 0 0 531.759 6.620 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000101362943 554743533 /nfs/dbraw/zinc/74/35/33/554743533.db2.gz LEJBLDRJPDLRSM-VSGBNLITSA-N 0 0 517.732 6.311 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000101362946 554743536 /nfs/dbraw/zinc/74/35/36/554743536.db2.gz LEJBLDRJPDLRSM-WUFINQPMSA-N 0 0 517.732 6.311 50 30 KKEARN C=CCn1c(SCc2cc(F)ccc2Cl)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367804 554744194 /nfs/dbraw/zinc/74/41/94/554744194.db2.gz JIMRVPDKTPOBBJ-UHFFFAOYSA-N 0 0 577.081 7.457 50 30 KKEARN C=CCn1c(SCc2cccc(C)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367849 554744202 /nfs/dbraw/zinc/74/42/02/554744202.db2.gz NNOIGOCTNXGFIG-UHFFFAOYSA-N 0 0 556.663 7.112 50 30 KKEARN C=CCn1c(SCc2cccc(C)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367841 554744208 /nfs/dbraw/zinc/74/42/08/554744208.db2.gz IUKQQOVSVWKVSL-UHFFFAOYSA-N 0 0 538.673 6.973 50 30 KKEARN C=CCn1c(SCc2cc(F)ccc2C)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367799 554744265 /nfs/dbraw/zinc/74/42/65/554744265.db2.gz AIENNYAIZDNNPM-UHFFFAOYSA-N 0 0 556.663 7.112 50 30 KKEARN COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccccc4)S/C3=N/C3CCCCC3)c2c1 ZINC000101379530 554747639 /nfs/dbraw/zinc/74/76/39/554747639.db2.gz MIVIOBSWPPECTC-BGVLTHFVSA-N 0 0 504.656 5.381 50 30 KKEARN Cc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccccc4)S/C3=N/c3ccccc3Cl)c2c1 ZINC000101379588 554747673 /nfs/dbraw/zinc/74/76/73/554747673.db2.gz YIQLBUXCNUAFKD-SSUCIVDASA-N 0 0 517.054 6.333 50 30 KKEARN COc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)cc(I)c1OCC#N ZINC000101418367 554766719 /nfs/dbraw/zinc/76/67/19/554766719.db2.gz RBWBZMJHRRBWMO-QHCPKHFHSA-N 0 0 581.435 5.015 50 30 KKEARN CCOc1cc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccccc1 ZINC000101467854 554781052 /nfs/dbraw/zinc/78/10/52/554781052.db2.gz FIERSPBVDSGIOL-BWAHOGKJSA-N 0 0 535.596 7.246 50 30 KKEARN CCCCc1c/c(=N\OC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000101484550 554785307 /nfs/dbraw/zinc/78/53/07/554785307.db2.gz XEGDQNXNRMIFSG-CXWKTGLFSA-N 0 0 628.791 7.190 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N1C ZINC000101512045 554793147 /nfs/dbraw/zinc/79/31/47/554793147.db2.gz HHBHTEFXGWHIIQ-ZXIVSDKTSA-N 0 0 502.592 5.799 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)N2C)cc1 ZINC000101513588 554793419 /nfs/dbraw/zinc/79/34/19/554793419.db2.gz CQUONYIEEWISEP-MNMIYWSCSA-N 0 0 532.463 6.696 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(NC5=C3C(=O)CCC5)c3ccccc3C4=O)cc2)cc1 ZINC000101513677 554793434 /nfs/dbraw/zinc/79/34/34/554793434.db2.gz UENSKEASTWCDKD-AREMUKBSSA-N 0 0 540.597 5.555 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC ZINC000101632184 554811911 /nfs/dbraw/zinc/81/19/11/554811911.db2.gz ZBNLOAAYUKVGHF-UNOMPAQXSA-N 0 0 531.428 5.314 50 30 KKEARN Cc1cccc(N2CCN(CN3C(=O)/C(=N\NC(=S)Nc4cccc(Cl)c4C)c4ccccc43)C[C@@H]2C)c1 ZINC000101682848 554828753 /nfs/dbraw/zinc/82/87/53/554828753.db2.gz DUJSVMPFOGZJDU-OPBFQSLKSA-N 0 0 547.128 5.162 50 30 KKEARN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)S1 ZINC000101720881 554832579 /nfs/dbraw/zinc/83/25/79/554832579.db2.gz JVKPNFSSCAAYDX-NHDPSOOVSA-N 0 0 539.063 7.209 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(Br)s2)s1 ZINC000101787376 554838716 /nfs/dbraw/zinc/83/87/16/554838716.db2.gz VOBUCWYYRVENGT-UHFFFAOYSA-N 0 0 563.198 8.434 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CC[C@H](C(C)(C)C)C3)c(OC)c1OC ZINC000101892273 554846550 /nfs/dbraw/zinc/84/65/50/554846550.db2.gz KIUMAMASSRESMA-DGAZYVLHSA-N 0 0 520.695 7.236 50 30 KKEARN CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OCC#N)cc2)o1 ZINC000101910672 554849735 /nfs/dbraw/zinc/84/97/35/554849735.db2.gz CAVBCAKBEWDURY-KGENOOAVSA-N 0 0 537.313 5.038 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccc(C)cc3)s2)cc2c1nc1ccccn1c2=O ZINC000101910705 554849741 /nfs/dbraw/zinc/84/97/41/554849741.db2.gz FGDNTKZDWXJCOV-UHFFFAOYSA-N 0 0 550.669 5.727 50 30 KKEARN CC(C)c1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000101950392 554853076 /nfs/dbraw/zinc/85/30/76/554853076.db2.gz QTVJCZYSKIOIHK-UHFFFAOYSA-O 0 0 538.386 5.376 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000101962822 554853559 /nfs/dbraw/zinc/85/35/59/554853559.db2.gz FIYUVIPDEYPKFP-BOEJXIRASA-N 0 0 512.609 6.265 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000101998918 554865594 /nfs/dbraw/zinc/86/55/94/554865594.db2.gz KFMNIYALKWIKFG-UHFFFAOYSA-N 0 0 560.477 5.773 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@H]2c1cc(Br)ccc1O ZINC000102047901 554870424 /nfs/dbraw/zinc/87/04/24/554870424.db2.gz IZUGUTBOFWNZAF-JLCFBVMHSA-N 0 0 534.435 5.653 50 30 KKEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000102050991 554871211 /nfs/dbraw/zinc/87/12/11/554871211.db2.gz RIOYPUSRGAASFA-FYSMJZIKSA-N 0 0 529.618 5.211 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)C2)cc1OC ZINC000102051596 554871433 /nfs/dbraw/zinc/87/14/33/554871433.db2.gz XWLNMAHALBTTON-RCRUUEGKSA-N 0 0 538.604 5.299 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc(OC)c1OC ZINC000102051677 554871536 /nfs/dbraw/zinc/87/15/36/554871536.db2.gz RKOUFMYWFOYDAV-PBBNMVCDSA-N 0 0 538.604 5.299 50 30 KKEARN CCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000102055076 554872589 /nfs/dbraw/zinc/87/25/89/554872589.db2.gz KGFFMDHJGJOGLX-JGCGQSQUSA-N 0 0 504.715 9.196 50 30 KKEARN CCCCCCCCCCCCS(=O)(=O)c1cc(S(=O)(=O)CCCCCCCCCCCC)c([N+](=O)[O-])cc1C#N ZINC000102059361 554873141 /nfs/dbraw/zinc/87/31/41/554873141.db2.gz AAVSEEDECNASPW-UHFFFAOYSA-N 0 0 612.899 8.856 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076450 554874550 /nfs/dbraw/zinc/87/45/50/554874550.db2.gz HTCUYWYBNIZESF-TVKWNQJWSA-N 0 0 525.645 6.099 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076586 554874771 /nfs/dbraw/zinc/87/47/71/554874771.db2.gz RAEKSADRALQULQ-XKNZNLGKSA-N 0 0 589.113 7.324 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076740 554875105 /nfs/dbraw/zinc/87/51/05/554875105.db2.gz SWKARDYIBSDPNU-YFVVEFNMSA-N 0 0 512.606 5.452 50 30 KKEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n1-c1ccccc1 ZINC000102077699 554875544 /nfs/dbraw/zinc/87/55/44/554875544.db2.gz VPPTVIDEJQDZQD-HQYUVRSBSA-N 0 0 598.478 5.072 50 30 KKEARN CCCCCCCCn1c(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1ccc(Cl)cc1 ZINC000102138853 554888054 /nfs/dbraw/zinc/88/80/54/554888054.db2.gz OJCASFXFGMPBDL-QFIPXVFZSA-N 0 0 581.186 6.876 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=O)(Nc1ccc(C)cc1Br)N(C)C(c1ccc(F)cc1)=N2 ZINC000102141080 554888593 /nfs/dbraw/zinc/88/85/93/554888593.db2.gz PLZSZAMEYXTNFC-JGCGQSQUSA-N 0 0 515.327 5.269 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000102169143 554890865 /nfs/dbraw/zinc/89/08/65/554890865.db2.gz PSILTKCPRHUYNH-NPJIAGGLSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102169203 554891162 /nfs/dbraw/zinc/89/11/62/554891162.db2.gz NGPJNRCQLKBSQE-SZYGQJGOSA-N 0 0 584.713 5.966 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175180 554891661 /nfs/dbraw/zinc/89/16/61/554891661.db2.gz RARFDBCVNPMDLG-NPJIAGGLSA-N 0 0 525.432 6.354 50 30 KKEARN CCCCCCCCCCCCCCCCNC(=O)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 ZINC000102308755 554909540 /nfs/dbraw/zinc/90/95/40/554909540.db2.gz COEDGWXTVHQVGI-BGABXYSRSA-N 0 0 559.622 9.362 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1ccc(Cl)cc1)N1CCCCC1 ZINC000102313159 554910026 /nfs/dbraw/zinc/91/00/26/554910026.db2.gz APEPVDLYTWKTAD-HYOGKJQXSA-N 0 0 526.231 7.888 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1ccc(OC)c(OC)c1)N1CCCCC1 ZINC000102313156 554910045 /nfs/dbraw/zinc/91/00/45/554910045.db2.gz WBANCMPLLXJXKZ-KTMFPKCZSA-N 0 0 551.838 7.252 50 30 KKEARN C=C1[C@@H](C/C=C(\C)CCC2OCCO2)CC[C@H](C)[C@@]1(C)CC[C@@H](C(=O)OC(C)(C)C)P(=O)(OCC)OCC ZINC000102319189 554911565 /nfs/dbraw/zinc/91/15/65/554911565.db2.gz GXVATSAVAREUFY-VQIKUYQISA-N 0 0 556.721 7.841 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102377721 554918255 /nfs/dbraw/zinc/91/82/55/554918255.db2.gz JUKVNTDSTCHEAJ-SBXHHDGASA-N 0 0 521.411 5.562 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C ZINC000102377666 554918266 /nfs/dbraw/zinc/91/82/66/554918266.db2.gz BGKXHIJNDOOSLW-IUKMQXEJSA-N 0 0 547.479 5.233 50 30 KKEARN O=C(Nc1ccccc1I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102426503 554926136 /nfs/dbraw/zinc/92/61/36/554926136.db2.gz FVEIPWHEFICKAF-UHFFFAOYSA-N 0 0 565.067 5.969 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C(=N/c2ncc(Cc3cccc([N+](=O)[O-])c3)s2)N1c1ccccc1 ZINC000102431858 554927116 /nfs/dbraw/zinc/92/71/16/554927116.db2.gz PDMNTROVCFRJMI-DCVGOABTSA-N 0 0 609.645 7.619 50 30 KKEARN CC1(C)[C@@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102445882 554930476 /nfs/dbraw/zinc/93/04/76/554930476.db2.gz WSNCSAOLKHUMIY-JOCHJYFZSA-N 0 0 610.486 6.189 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102482192 554937413 /nfs/dbraw/zinc/93/74/13/554937413.db2.gz ASIDBJZYENHVAF-QBCYBHDASA-N 0 0 545.632 6.049 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484868 554937932 /nfs/dbraw/zinc/93/79/32/554937932.db2.gz PABVTGRUJKJDKS-MOBKVPTQSA-N 0 0 520.994 5.902 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102489224 554938803 /nfs/dbraw/zinc/93/88/03/554938803.db2.gz CRYIVJMFYWQZGP-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102489698 554939130 /nfs/dbraw/zinc/93/91/30/554939130.db2.gz VIUQDDHAQZVBNK-AHPONGEQSA-N 0 0 546.667 6.888 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000102489596 554939140 /nfs/dbraw/zinc/93/91/40/554939140.db2.gz SXXNYVLZDWEMTI-ONQGDUAMSA-N 0 0 500.595 5.590 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102497062 554941034 /nfs/dbraw/zinc/94/10/34/554941034.db2.gz HNLAVBQMDKFAEW-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102497254 554941055 /nfs/dbraw/zinc/94/10/55/554941055.db2.gz RMBJELRJJDBNNE-QMMFTLRZSA-N 0 0 580.637 5.617 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102497069 554941076 /nfs/dbraw/zinc/94/10/76/554941076.db2.gz HNLAVBQMDKFAEW-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102499862 554942539 /nfs/dbraw/zinc/94/25/39/554942539.db2.gz RGNXJKWPSKQRDJ-RWTZSVALSA-N 0 0 582.656 7.383 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102501764 554943391 /nfs/dbraw/zinc/94/33/91/554943391.db2.gz LJTZMNIPVNBEDK-VEZPTTSMSA-N 0 0 518.613 6.153 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102505339 554944307 /nfs/dbraw/zinc/94/43/07/554944307.db2.gz JBVNZRYWPOVQNP-MIOXIQPJSA-N 0 0 520.585 5.600 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102515890 554947828 /nfs/dbraw/zinc/94/78/28/554947828.db2.gz ITCVHJMQILTQIH-BUANBSPESA-N 0 0 504.995 6.201 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102516817 554948215 /nfs/dbraw/zinc/94/82/15/554948215.db2.gz XACQNWLBRJEQQC-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000102520993 554949620 /nfs/dbraw/zinc/94/96/20/554949620.db2.gz MSOGVVWTWPJWCB-VEZPTTSMSA-N 0 0 538.172 9.243 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522340 554949908 /nfs/dbraw/zinc/94/99/08/554949908.db2.gz MVSVTSZBEUKEAR-ONQGDUAMSA-N 0 0 614.676 5.769 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102524060 554950882 /nfs/dbraw/zinc/95/08/82/554950882.db2.gz BXWOXQDHBZTYLR-SBXHHDGASA-N 0 0 502.567 6.159 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102525059 554951595 /nfs/dbraw/zinc/95/15/95/554951595.db2.gz WPYOIDPYEVCQQK-KQAPWQHSSA-N 0 0 500.595 6.802 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102526342 554952168 /nfs/dbraw/zinc/95/21/68/554952168.db2.gz QVRVMMYEBJPTOG-DFXXOVSGSA-N 0 0 596.705 6.704 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529184 554953041 /nfs/dbraw/zinc/95/30/41/554953041.db2.gz AQADGKGACMKFLG-SBXHHDGASA-N 0 0 516.619 6.520 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102529701 554953419 /nfs/dbraw/zinc/95/34/19/554953419.db2.gz PJZJUPGCXBSPGT-QMMFTLRZSA-N 0 0 617.068 10.006 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530235 554953628 /nfs/dbraw/zinc/95/36/28/554953628.db2.gz MUXOSYLJUKLMIM-ZORLYMSLSA-N 0 0 556.703 6.586 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102531310 554953880 /nfs/dbraw/zinc/95/38/80/554953880.db2.gz FHFRTJQHEAAGKL-KFLIVHAJSA-N 0 0 642.675 9.369 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102532255 554954243 /nfs/dbraw/zinc/95/42/43/554954243.db2.gz GGBDHJHXLWDZII-ZHHPLPSFSA-N 0 0 508.596 5.192 50 30 KKEARN COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541024 554957424 /nfs/dbraw/zinc/95/74/24/554957424.db2.gz OECHVEALSNCVSJ-AYWGPLOBSA-N 0 0 550.564 5.096 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102540906 554957429 /nfs/dbraw/zinc/95/74/29/554957429.db2.gz KAVDMLRTYUTWSR-BBHPREIXSA-N 0 0 592.733 5.122 50 30 KKEARN CCN1C(=O)/C(=C\C=C2/N(C)c3ccccc3C2(C)C)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000102546852 554959501 /nfs/dbraw/zinc/95/95/01/554959501.db2.gz DCKPPLOMOMXWIN-LVQWRRKLSA-N 0 0 508.090 5.237 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102547356 554959988 /nfs/dbraw/zinc/95/99/88/554959988.db2.gz YQGVPOXGPYWRII-GAPOMRBKSA-N 0 0 574.655 5.882 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547950 554960308 /nfs/dbraw/zinc/96/03/08/554960308.db2.gz OHLUARWFYYYBDU-HAQIDCBSSA-N 0 0 556.596 5.041 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102549112 554960821 /nfs/dbraw/zinc/96/08/21/554960821.db2.gz DJONHHTVOUCUNB-SBXHHDGASA-N 0 0 514.559 5.093 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102549151 554960862 /nfs/dbraw/zinc/96/08/62/554960862.db2.gz GBZCFLCEYJTHQB-UJWLLDLUSA-N 0 0 526.614 5.817 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549682 554961012 /nfs/dbraw/zinc/96/10/12/554961012.db2.gz RIXJNUVAJPSGGL-UVDRRRQGSA-N 0 0 543.557 5.219 50 30 KKEARN Cc1cc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc(Cl)n1 ZINC000102552162 554962567 /nfs/dbraw/zinc/96/25/67/554962567.db2.gz AZUCLOXZXMEOGW-LJAQVGFWSA-N 0 0 544.099 5.231 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102553455 554963117 /nfs/dbraw/zinc/96/31/17/554963117.db2.gz LRFZTOTWTQMKBZ-JUQULXIISA-N 0 0 556.640 5.967 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554105 554963408 /nfs/dbraw/zinc/96/34/08/554963408.db2.gz BOOHOOQDZFWIQN-XTUFCYCQSA-N 0 0 589.113 7.468 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102553802 554963443 /nfs/dbraw/zinc/96/34/43/554963443.db2.gz UVZJCMZPIMCJNB-HALAOQOWSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102556534 554964659 /nfs/dbraw/zinc/96/46/59/554964659.db2.gz KPTNLZOWTILMRI-NBXYUPGTSA-N 0 0 612.748 7.522 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000102557225 554965285 /nfs/dbraw/zinc/96/52/85/554965285.db2.gz BNESVEPATFAYCP-KETBTUPLSA-N 0 0 560.716 5.724 50 30 KKEARN CC1(C)[C@@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102560211 554967565 /nfs/dbraw/zinc/96/75/65/554967565.db2.gz MQTLFDWDQUGBMS-JOCHJYFZSA-N 0 0 584.492 7.334 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102561169 554967854 /nfs/dbraw/zinc/96/78/54/554967854.db2.gz RWAICWREIPEQFD-FCLPXNLHSA-N 0 0 573.690 5.542 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000102561197 554967898 /nfs/dbraw/zinc/96/78/98/554967898.db2.gz LDRGPWZXXUGKHN-VEZPTTSMSA-N 0 0 556.162 9.382 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102564743 554969710 /nfs/dbraw/zinc/96/97/10/554969710.db2.gz BZSFQZUWEQNIGH-YREDKMEYSA-N 0 0 537.653 5.292 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000102587136 554973592 /nfs/dbraw/zinc/97/35/92/554973592.db2.gz OLVJDSQBEYBGHV-QMMFTLRZSA-N 0 0 521.717 8.729 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102589395 554973751 /nfs/dbraw/zinc/97/37/51/554973751.db2.gz IQFYGWMLLKDOOP-QMMFTLRZSA-N 0 0 548.724 8.498 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102599161 554977470 /nfs/dbraw/zinc/97/74/70/554977470.db2.gz OWQCBAXSNNEIFG-WGGXKBPPSA-N 0 0 534.568 5.054 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102602604 554977993 /nfs/dbraw/zinc/97/79/93/554977993.db2.gz UPSVQCFJHVINHM-ONQGDUAMSA-N 0 0 538.669 6.954 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603949 554978240 /nfs/dbraw/zinc/97/82/40/554978240.db2.gz JSPULEZSPRKWOB-FPRSLYQBSA-N 0 0 572.658 6.954 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606106 554978880 /nfs/dbraw/zinc/97/88/80/554978880.db2.gz USXVVIXRXQXFSV-CPJLOUKISA-N 0 0 549.649 5.530 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606150 554978975 /nfs/dbraw/zinc/97/89/75/554978975.db2.gz LXCINZNOEVGMHD-WGDIFIGCSA-N 0 0 563.676 5.921 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102621118 554987047 /nfs/dbraw/zinc/98/70/47/554987047.db2.gz NXHJGILJCXUXGQ-SZYGQJGOSA-N 0 0 531.781 9.206 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102642491 554990981 /nfs/dbraw/zinc/99/09/81/554990981.db2.gz LURQGGUXUZDHOQ-PLQDCEFPSA-N 0 0 545.635 6.253 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102644405 554991680 /nfs/dbraw/zinc/99/16/80/554991680.db2.gz JAKWBXFAUFNBJK-OTQMSCLFSA-N 0 0 518.407 5.437 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102650328 554995668 /nfs/dbraw/zinc/99/56/68/554995668.db2.gz QWLSKZDKAPHNSN-UGQRDJPYSA-N 0 0 575.661 6.262 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102651260 554995949 /nfs/dbraw/zinc/99/59/49/554995949.db2.gz XZGGZDVIOWDSBP-SASZYUHJSA-N 0 0 554.668 6.652 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102651911 554996247 /nfs/dbraw/zinc/99/62/47/554996247.db2.gz BTXSXCSASFVQMM-JFTLGNCFSA-N 0 0 528.586 5.350 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102652741 554996852 /nfs/dbraw/zinc/99/68/52/554996852.db2.gz QNMGGBKRSFNCRR-CHDCXXRXSA-N 0 0 518.616 5.706 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102653931 554997378 /nfs/dbraw/zinc/99/73/78/554997378.db2.gz PLMMJNOPBRXDEX-WKUSSTJHSA-N 0 0 570.667 6.434 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102654029 554997490 /nfs/dbraw/zinc/99/74/90/554997490.db2.gz BXBOPXKYVOKMOI-YELMDPSYSA-N 0 0 525.645 6.243 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102654585 554997701 /nfs/dbraw/zinc/99/77/01/554997701.db2.gz CFTDZQANBPBEHM-BBHOXHGRSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102654788 554997781 /nfs/dbraw/zinc/99/77/81/554997781.db2.gz OTCXKTNBYVXJDY-BBHOXHGRSA-N 0 0 561.457 6.317 50 30 KKEARN CC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000102659769 555000102 /nfs/dbraw/zinc/00/01/02/555000102.db2.gz GGBNTAXFTYYXMH-BNIPGBBVSA-N 0 0 560.123 7.654 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661412 555000523 /nfs/dbraw/zinc/00/05/23/555000523.db2.gz IQGNABCAQPINJZ-IUKMQXEJSA-N 0 0 544.585 5.101 50 30 KKEARN CC(C)c1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)cc1 ZINC000102667657 555001935 /nfs/dbraw/zinc/00/19/35/555001935.db2.gz VVPSETAXBVUJKY-OVAOOHOOSA-N 0 0 576.634 5.332 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000102672604 555002830 /nfs/dbraw/zinc/00/28/30/555002830.db2.gz XOENQRKVIVWAII-PJTQZDKOSA-N 0 0 597.736 8.904 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000102681333 555005637 /nfs/dbraw/zinc/00/56/37/555005637.db2.gz NPPOWWAVLLTMKO-PXJZQJOASA-N 0 0 519.483 8.041 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102694129 555009589 /nfs/dbraw/zinc/00/95/89/555009589.db2.gz BCTWYBKXENCARJ-BUANBSPESA-N 0 0 515.547 5.456 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102694655 555009767 /nfs/dbraw/zinc/00/97/67/555009767.db2.gz ZEMMNNBTMADIGX-IUKMQXEJSA-N 0 0 530.602 5.647 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102696033 555011184 /nfs/dbraw/zinc/01/11/84/555011184.db2.gz VCRTVANVXJERHL-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696983 555011598 /nfs/dbraw/zinc/01/15/98/555011598.db2.gz QKMZNESQSNHSFS-ZHHPLPSFSA-N 0 0 504.995 6.147 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102697612 555011920 /nfs/dbraw/zinc/01/19/20/555011920.db2.gz JNFDJRFYOBZYPN-MIOXIQPJSA-N 0 0 507.586 6.351 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102697644 555012153 /nfs/dbraw/zinc/01/21/53/555012153.db2.gz QLCTYZIZDQAPGO-QMMFTLRZSA-N 0 0 535.640 7.086 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102700074 555012645 /nfs/dbraw/zinc/01/26/45/555012645.db2.gz WXBGRRDNWFQYRK-DHJMZRGKSA-N 0 0 526.658 6.846 50 30 KKEARN N#CC(C#N)C[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000102700014 555012650 /nfs/dbraw/zinc/01/26/50/555012650.db2.gz YTSQGXDHOXDDRS-OIFRRMEBSA-N 0 0 505.618 5.154 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102703275 555013395 /nfs/dbraw/zinc/01/33/95/555013395.db2.gz HDIPAOWJGIRTHV-NPJIAGGLSA-N 0 0 546.601 5.265 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102703269 555013409 /nfs/dbraw/zinc/01/34/09/555013409.db2.gz HDIPAOWJGIRTHV-IUKMQXEJSA-N 0 0 546.601 5.265 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102703340 555013631 /nfs/dbraw/zinc/01/36/31/555013631.db2.gz QSRCBYXHVURPQA-CZNAVJSXSA-N 0 0 526.658 6.846 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705919 555014621 /nfs/dbraw/zinc/01/46/21/555014621.db2.gz PTIWNDBRCYGKPT-MRJHHRETSA-N 0 0 506.605 5.564 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706329 555014789 /nfs/dbraw/zinc/01/47/89/555014789.db2.gz CTIOSKPQSDBKAD-HOGKFDNTSA-N 0 0 506.605 5.564 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707172 555015363 /nfs/dbraw/zinc/01/53/63/555015363.db2.gz AQEGPGJVAWDOAI-SBXHHDGASA-N 0 0 529.574 5.792 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102709898 555016143 /nfs/dbraw/zinc/01/61/43/555016143.db2.gz AMAYZDHTHMIRNY-NXLSWJSLSA-N 0 0 514.603 5.811 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102711311 555016734 /nfs/dbraw/zinc/01/67/34/555016734.db2.gz PYUVVAGUTZDGQO-NPJIAGGLSA-N 0 0 517.050 7.262 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102711401 555016786 /nfs/dbraw/zinc/01/67/86/555016786.db2.gz IATIELKGORBCNB-SBXHHDGASA-N 0 0 530.602 5.511 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102713001 555017661 /nfs/dbraw/zinc/01/76/61/555017661.db2.gz IAHOWCDSXORBHR-XXASTYAFSA-N 0 0 540.685 7.154 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102715841 555018516 /nfs/dbraw/zinc/01/85/16/555018516.db2.gz SLFIHCVMNHBONO-DFXXOVSGSA-N 0 0 530.621 5.598 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715773 555018574 /nfs/dbraw/zinc/01/85/74/555018574.db2.gz LAGDYVNMNZGTAK-ZHHPLPSFSA-N 0 0 515.547 5.402 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102715655 555018599 /nfs/dbraw/zinc/01/85/99/555018599.db2.gz GAECCLWPIJRYMC-IUKMQXEJSA-N 0 0 530.602 5.565 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102715704 555018616 /nfs/dbraw/zinc/01/86/16/555018616.db2.gz GJBCNQCUDZVPOI-DHJMZRGKSA-N 0 0 544.629 5.874 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102722379 555020332 /nfs/dbraw/zinc/02/03/32/555020332.db2.gz BXOUXJGVUYHWIJ-ZHHPLPSFSA-N 0 0 549.446 6.311 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102725390 555021178 /nfs/dbraw/zinc/02/11/78/555021178.db2.gz KNIGUXYCCUAKRB-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102729876 555023276 /nfs/dbraw/zinc/02/32/76/555023276.db2.gz AILIRENZOJUVFP-CJJGVWJISA-N 0 0 505.998 5.686 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)o1 ZINC000102730713 555023475 /nfs/dbraw/zinc/02/34/75/555023475.db2.gz BQRZOHHKVKBODL-ONQGDUAMSA-N 0 0 502.611 5.239 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102733883 555024611 /nfs/dbraw/zinc/02/46/11/555024611.db2.gz NREMKBLRZNBAMY-TXTDGAROSA-N 0 0 525.557 5.503 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735212 555024932 /nfs/dbraw/zinc/02/49/32/555024932.db2.gz RSPJHUBADATCRH-ZAOVDLIJSA-N 0 0 545.635 6.253 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735223 555024959 /nfs/dbraw/zinc/02/49/59/555024959.db2.gz SMVONXWOVPVOLR-FFMCZVIESA-N 0 0 531.608 6.211 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735314 555025271 /nfs/dbraw/zinc/02/52/71/555025271.db2.gz ZTBMMTANUTWTSS-VXJPNWOUSA-N 0 0 521.569 5.804 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735492 555025455 /nfs/dbraw/zinc/02/54/55/555025455.db2.gz CEJVYLZAOQIIFB-VDGASQMCSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735499 555025490 /nfs/dbraw/zinc/02/54/90/555025490.db2.gz CEJVYLZAOQIIFB-IZSGBISHSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735565 555025782 /nfs/dbraw/zinc/02/57/82/555025782.db2.gz MVXYYBMZRJUPNX-YZUJGMDRSA-N 0 0 592.648 6.964 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735535 555025857 /nfs/dbraw/zinc/02/58/57/555025857.db2.gz AKWSCRIRFNPPCA-RIEKNRFYSA-N 0 0 588.685 7.133 50 30 KKEARN CC[C@H](Oc1ccccc1/C=N/N=C/c1ccccc1O[C@@H](CC)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 ZINC000102743442 555033871 /nfs/dbraw/zinc/03/38/71/555033871.db2.gz YGVKJBXYUNYLHS-NDUHVAPWSA-N 0 0 590.724 6.087 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102748562 555042859 /nfs/dbraw/zinc/04/28/59/555042859.db2.gz JGZJBXBQSLEWJE-MUUNZHRXSA-N 0 0 545.661 5.549 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770785 555058207 /nfs/dbraw/zinc/05/82/07/555058207.db2.gz VWGJZVDOQGCMJA-QNIVJUIWSA-N 0 0 508.401 5.981 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102770997 555059078 /nfs/dbraw/zinc/05/90/78/555059078.db2.gz SDQVOKRJKRZQHH-VURVUJTCSA-N 0 0 538.669 6.986 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771045 555059246 /nfs/dbraw/zinc/05/92/46/555059246.db2.gz MBJZNLIDCLIYCQ-HALAOQOWSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102771097 555059440 /nfs/dbraw/zinc/05/94/40/555059440.db2.gz NEUPCNMNHRUGAP-BBHOXHGRSA-N 0 0 500.551 5.694 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771404 555060375 /nfs/dbraw/zinc/06/03/75/555060375.db2.gz VMZQADAWYFPICE-CSVYKXDMSA-N 0 0 502.979 5.899 50 30 KKEARN CCOc1ccc(C2=C(/C=N\CCc3c[nH]c4ccccc34)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000102784223 555066934 /nfs/dbraw/zinc/06/69/34/555066934.db2.gz KKEMSCJCOLSTSW-BEBTULOLSA-N 0 0 516.616 7.955 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812770 555075332 /nfs/dbraw/zinc/07/53/32/555075332.db2.gz HALIGOCFRWOPTE-UHFFFAOYSA-N 0 0 564.711 7.236 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000102857696 555088849 /nfs/dbraw/zinc/08/88/49/555088849.db2.gz HAVLFYOPVNKRDV-GPNASLBKSA-N 0 0 507.609 7.828 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102858614 555089377 /nfs/dbraw/zinc/08/93/77/555089377.db2.gz WHOXZLUZWAOROY-ZZIWUOEGSA-N 0 0 518.566 5.696 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858605 555089462 /nfs/dbraw/zinc/08/94/62/555089462.db2.gz QYUMPHVXVQYJHS-QKJBWNOYSA-N 0 0 560.628 5.574 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102859117 555089716 /nfs/dbraw/zinc/08/97/16/555089716.db2.gz OUCYFDNNKRJVFA-FGEDTZIGSA-N 0 0 512.606 5.596 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000102861697 555092029 /nfs/dbraw/zinc/09/20/29/555092029.db2.gz KCBAJBSCAGFSIB-GKVSMKOHSA-N 0 0 548.458 7.957 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102862318 555092330 /nfs/dbraw/zinc/09/23/30/555092330.db2.gz CXUTYIVVJTYLKS-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN O=C(CN1C(C(=O)c2ccccc2)=C(Nc2ccccc2[N+](=O)[O-])c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000102863315 555093310 /nfs/dbraw/zinc/09/33/10/555093310.db2.gz KYGYHVDKRYPVCH-ZKIWJVNISA-N 0 0 584.566 5.438 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102863922 555093517 /nfs/dbraw/zinc/09/35/17/555093517.db2.gz QIOPTIXIOAJOMV-UVDRRRQGSA-N 0 0 535.021 6.210 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102864974 555094447 /nfs/dbraw/zinc/09/44/47/555094447.db2.gz VLTBVFSREKTOCZ-MOBKVPTQSA-N 0 0 506.352 5.252 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102865616 555095262 /nfs/dbraw/zinc/09/52/62/555095262.db2.gz FRQRCHIANCRGNC-VEZPTTSMSA-N 0 0 550.611 5.695 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866234 555095448 /nfs/dbraw/zinc/09/54/48/555095448.db2.gz SWYPGKNOVBZZIN-IUKMQXEJSA-N 0 0 546.601 5.347 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102866397 555095828 /nfs/dbraw/zinc/09/58/28/555095828.db2.gz BURADZJQMZYIPG-WGGXKBPPSA-N 0 0 595.523 6.025 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866849 555095992 /nfs/dbraw/zinc/09/59/92/555095992.db2.gz JFNDIMOFRWZJEN-HAQIDCBSSA-N 0 0 528.586 5.269 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866872 555096433 /nfs/dbraw/zinc/09/64/33/555096433.db2.gz AHEMDIMHMSFVOL-RFAFYKRUSA-N 0 0 542.613 5.653 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867237 555096666 /nfs/dbraw/zinc/09/66/66/555096666.db2.gz KXUKOWRWRPGNAR-IKZPYDRGSA-N 0 0 556.640 6.043 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102868110 555097543 /nfs/dbraw/zinc/09/75/43/555097543.db2.gz CWNYWXMWKHZHJG-CJJGVWJISA-N 0 0 544.629 5.901 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102868650 555097946 /nfs/dbraw/zinc/09/79/46/555097946.db2.gz NWJIVEYCBFEERE-RWMNMRIUSA-N 0 0 541.644 5.862 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869030 555098168 /nfs/dbraw/zinc/09/81/68/555098168.db2.gz XLAUWZKVJTVGLL-QNIVJUIWSA-N 0 0 512.587 5.563 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869377 555098737 /nfs/dbraw/zinc/09/87/37/555098737.db2.gz DIIWPGNAYVFXFS-DDLGZMGRSA-N 0 0 554.668 6.652 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870035 555099671 /nfs/dbraw/zinc/09/96/71/555099671.db2.gz DINGZXPGZDTWAZ-FSDXSRJSSA-N 0 0 540.597 5.341 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102870292 555100334 /nfs/dbraw/zinc/10/03/34/555100334.db2.gz GXZCNOGQNJOKQX-DFXXOVSGSA-N 0 0 552.587 5.191 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870173 555100411 /nfs/dbraw/zinc/10/04/11/555100411.db2.gz XVIZRDQQAZZLMS-WREUJOMVSA-N 0 0 618.711 7.224 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102870269 555100464 /nfs/dbraw/zinc/10/04/64/555100464.db2.gz OUIXSDJFZOQZPN-AHPONGEQSA-N 0 0 578.750 8.506 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102870453 555100715 /nfs/dbraw/zinc/10/07/15/555100715.db2.gz SXEFZNGVYUCMMG-CJJGVWJISA-N 0 0 558.612 5.491 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1 ZINC000102871003 555101491 /nfs/dbraw/zinc/10/14/91/555101491.db2.gz DBTCJPGIXWHYCO-GIBNYFNHSA-N 0 0 558.388 5.291 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102873046 555103462 /nfs/dbraw/zinc/10/34/62/555103462.db2.gz SSMQKPMZKUEBPU-VDBNUPDGSA-N 0 0 555.671 6.252 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102873051 555103584 /nfs/dbraw/zinc/10/35/84/555103584.db2.gz SSMQKPMZKUEBPU-QZDFLZESSA-N 0 0 555.671 6.252 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102874655 555104826 /nfs/dbraw/zinc/10/48/26/555104826.db2.gz LWGOVKPVVNITFD-CJJGVWJISA-N 0 0 561.506 5.625 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102876600 555106269 /nfs/dbraw/zinc/10/62/69/555106269.db2.gz MZKHIGQIOJDGRN-TXTDGAROSA-N 0 0 559.449 6.898 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000102877213 555106982 /nfs/dbraw/zinc/10/69/82/555106982.db2.gz ZMZTVCMPYOKSEH-OBTVHEKISA-N 0 0 564.638 5.545 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102877789 555107174 /nfs/dbraw/zinc/10/71/74/555107174.db2.gz IJIXAZOAGVFCFS-UVDRRRQGSA-N 0 0 530.602 5.565 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880145 555108942 /nfs/dbraw/zinc/10/89/42/555108942.db2.gz OFKUGTQSEKNOPM-NPJIAGGLSA-N 0 0 514.603 6.063 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000102880019 555108955 /nfs/dbraw/zinc/10/89/55/555108955.db2.gz PNYUCUFISDPCLT-TXTDGAROSA-N 0 0 507.590 5.283 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102879907 555109024 /nfs/dbraw/zinc/10/90/24/555109024.db2.gz BCIPCRVCFLIZSM-VXJPNWOUSA-N 0 0 527.617 5.472 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880148 555109028 /nfs/dbraw/zinc/10/90/28/555109028.db2.gz OFKUGTQSEKNOPM-IUKMQXEJSA-N 0 0 514.603 6.063 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102880757 555109520 /nfs/dbraw/zinc/10/95/20/555109520.db2.gz XJVLEWUUKQLWHB-SBXHHDGASA-N 0 0 500.595 6.668 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102881325 555109813 /nfs/dbraw/zinc/10/98/13/555109813.db2.gz ILCGQMRQMYEZQJ-POONJALHSA-N 0 0 612.723 5.132 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102881323 555109877 /nfs/dbraw/zinc/10/98/77/555109877.db2.gz ILCGQMRQMYEZQJ-ITIMGTMTSA-N 0 0 612.723 5.132 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882331 555110818 /nfs/dbraw/zinc/11/08/18/555110818.db2.gz BEKDGCSYYPRSCE-IAMBOQNYSA-N 0 0 509.414 6.846 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102882997 555111366 /nfs/dbraw/zinc/11/13/66/555111366.db2.gz QZXUHFGCEVPDLP-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883657 555111892 /nfs/dbraw/zinc/11/18/92/555111892.db2.gz GPHGQMFRBNRSMD-AZIATFRCSA-N 0 0 626.775 7.831 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883660 555111966 /nfs/dbraw/zinc/11/19/66/555111966.db2.gz GPHGQMFRBNRSMD-VSFGEHDGSA-N 0 0 626.775 7.831 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883659 555112083 /nfs/dbraw/zinc/11/20/83/555112083.db2.gz GPHGQMFRBNRSMD-NMBCHZPXSA-N 0 0 626.775 7.831 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883824 555112300 /nfs/dbraw/zinc/11/23/00/555112300.db2.gz GKKKHLFDZCVXIK-CNVPOXKWSA-N 0 0 612.748 7.296 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102884409 555113504 /nfs/dbraw/zinc/11/35/04/555113504.db2.gz URQDIUNGHVBFOQ-AMKIGSDESA-N 0 0 526.614 5.953 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884625 555113712 /nfs/dbraw/zinc/11/37/12/555113712.db2.gz DBHLQGAQTNWJOV-JVJOXMINSA-N 0 0 620.724 6.011 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885007 555114889 /nfs/dbraw/zinc/11/48/89/555114889.db2.gz ITTVUIGMSANNNE-XVTRYDTASA-N 0 0 526.614 5.953 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102885370 555115556 /nfs/dbraw/zinc/11/55/56/555115556.db2.gz MIVRXKBUTRHKOW-NXLSWJSLSA-N 0 0 514.559 5.011 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885820 555116078 /nfs/dbraw/zinc/11/60/78/555116078.db2.gz WYDDNMHFRWZNDT-UUALVTFQSA-N 0 0 510.546 5.587 50 30 KKEARN C[C@H](Oc1ccccc1)C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000102885766 555116120 /nfs/dbraw/zinc/11/61/20/555116120.db2.gz XAAHMJFNHFNGNH-IEWVHIKDSA-N 0 0 538.692 5.028 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102886302 555116678 /nfs/dbraw/zinc/11/66/78/555116678.db2.gz QFWIUGHNMRRFKI-AYWGPLOBSA-N 0 0 502.523 5.141 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886342 555116966 /nfs/dbraw/zinc/11/69/66/555116966.db2.gz LVUDUIBMLLOXQG-HTUFKCTLSA-N 0 0 570.623 5.431 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000102886882 555117493 /nfs/dbraw/zinc/11/74/93/555117493.db2.gz QEYSIYPZLGDOJI-WNVNNSCISA-N 0 0 570.645 6.204 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102886800 555117510 /nfs/dbraw/zinc/11/75/10/555117510.db2.gz QCOCDOUOUUDENN-QMMFTLRZSA-N 0 0 557.643 5.700 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1 ZINC000102887101 555118188 /nfs/dbraw/zinc/11/81/88/555118188.db2.gz AFSUPIOFRVBCGP-PMERELPUSA-N 0 0 542.643 6.465 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887327 555118949 /nfs/dbraw/zinc/11/89/49/555118949.db2.gz XFDOTNDIYJSVSS-WBMUNJTESA-N 0 0 592.670 5.375 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102887390 555119319 /nfs/dbraw/zinc/11/93/19/555119319.db2.gz OZTDYJQKQYADMJ-HAQIDCBSSA-N 0 0 528.586 5.350 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888173 555120706 /nfs/dbraw/zinc/12/07/06/555120706.db2.gz LUCRLSAIIVDYBP-DDLSXHCZSA-N 0 0 598.721 7.214 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888079 555120863 /nfs/dbraw/zinc/12/08/63/555120863.db2.gz RULBUNOIEMKQIE-CGKJMNDRSA-N 0 0 528.586 5.263 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888238 555121125 /nfs/dbraw/zinc/12/11/25/555121125.db2.gz RJMHYKFXRBVHFH-VGZNNGDKSA-N 0 0 598.721 7.214 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102888718 555122189 /nfs/dbraw/zinc/12/21/89/555122189.db2.gz YXWXHEFLFVVDTP-AYWGPLOBSA-N 0 0 504.539 5.387 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888958 555122908 /nfs/dbraw/zinc/12/29/08/555122908.db2.gz KNSUYLYMJSHKMK-PNHZJWGWSA-N 0 0 532.618 5.311 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000102889094 555122974 /nfs/dbraw/zinc/12/29/74/555122974.db2.gz JUINQCSOOCZZCJ-QMMFTLRZSA-N 0 0 582.623 9.352 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889736 555124239 /nfs/dbraw/zinc/12/42/39/555124239.db2.gz SMDXLISVZLECHP-HWTUVFLMSA-N 0 0 584.694 6.824 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889731 555124272 /nfs/dbraw/zinc/12/42/72/555124272.db2.gz SMDXLISVZLECHP-LHKMDIPOSA-N 0 0 584.694 6.824 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889733 555124328 /nfs/dbraw/zinc/12/43/28/555124328.db2.gz SMDXLISVZLECHP-QMDVFYPZSA-N 0 0 584.694 6.824 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889985 555124791 /nfs/dbraw/zinc/12/47/91/555124791.db2.gz DTYQITUPGDXSBY-SSELITHESA-N 0 0 576.671 5.791 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102890153 555124978 /nfs/dbraw/zinc/12/49/78/555124978.db2.gz LXCJCFJVPZIMSY-MIOXIQPJSA-N 0 0 519.553 5.872 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890691 555125917 /nfs/dbraw/zinc/12/59/17/555125917.db2.gz IPNLVASIYZKNPW-DFXXOVSGSA-N 0 0 602.665 5.890 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890804 555126180 /nfs/dbraw/zinc/12/61/80/555126180.db2.gz USCHGNKNXKGUAN-YZUJGMDRSA-N 0 0 616.711 7.353 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102890927 555126438 /nfs/dbraw/zinc/12/64/38/555126438.db2.gz CFUJCKNZJDWNJO-XKHRQMKWSA-N 0 0 529.637 5.288 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891093 555126804 /nfs/dbraw/zinc/12/68/04/555126804.db2.gz AIVIMROTDBANQX-WKUSSTJHSA-N 0 0 554.668 6.768 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102891723 555127765 /nfs/dbraw/zinc/12/77/65/555127765.db2.gz ZPMZTXJZJBEZDK-TVXPFAQOSA-N 0 0 526.614 5.953 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(I)cc1 ZINC000102891895 555128169 /nfs/dbraw/zinc/12/81/69/555128169.db2.gz ZKWIGURENOBPLT-UBFVSLLYSA-N 0 0 561.810 6.229 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892336 555128376 /nfs/dbraw/zinc/12/83/76/555128376.db2.gz URNKHSBUPCXBEN-HALAOQOWSA-N 0 0 532.618 5.393 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892466 555128694 /nfs/dbraw/zinc/12/86/94/555128694.db2.gz XOSZUOHTEKFQFC-QNIVJUIWSA-N 0 0 512.587 5.563 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892459 555128720 /nfs/dbraw/zinc/12/87/20/555128720.db2.gz RFWLPLWKLGRLBS-NHFXJNLRSA-N 0 0 508.571 5.301 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892468 555128758 /nfs/dbraw/zinc/12/87/58/555128758.db2.gz XOSZUOHTEKFQFC-OGHRCCBNSA-N 0 0 512.587 5.563 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894473 555132606 /nfs/dbraw/zinc/13/26/06/555132606.db2.gz AZTXZJNFHMQUIO-SSELITHESA-N 0 0 561.059 6.688 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894952 555133393 /nfs/dbraw/zinc/13/33/93/555133393.db2.gz GKRGJUMFTXSWCZ-SLPYKNDMSA-N 0 0 600.693 6.498 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895297 555134082 /nfs/dbraw/zinc/13/40/82/555134082.db2.gz PIZAIKGBJNXDET-GMBUILNLSA-N 0 0 533.005 5.908 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895931 555135525 /nfs/dbraw/zinc/13/55/25/555135525.db2.gz YUOJAGQCIDNURX-QMNXYOJKSA-N 0 0 598.721 7.132 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896375 555136307 /nfs/dbraw/zinc/13/63/07/555136307.db2.gz GDMNMSWSHAUXTE-OFNYXUPYSA-N 0 0 556.640 6.043 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896554 555136618 /nfs/dbraw/zinc/13/66/18/555136618.db2.gz NFRFIHANKJLNQM-GYBOJBDRSA-N 0 0 579.653 5.306 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102896745 555136938 /nfs/dbraw/zinc/13/69/38/555136938.db2.gz JFTXMNMFRUZVKH-VEZPTTSMSA-N 0 0 583.169 9.151 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896940 555137222 /nfs/dbraw/zinc/13/72/22/555137222.db2.gz XREWHHYBQWEBBW-JRPVAJNPSA-N 0 0 562.644 5.401 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102897261 555137559 /nfs/dbraw/zinc/13/75/59/555137559.db2.gz ZWPKKDBONUXRLE-SZYGQJGOSA-N 0 0 581.241 9.309 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102899310 555138804 /nfs/dbraw/zinc/13/88/04/555138804.db2.gz MFWFIHNKYWZJBQ-VTVSLZSGSA-N 0 0 559.663 5.296 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102899312 555139095 /nfs/dbraw/zinc/13/90/95/555139095.db2.gz MFWFIHNKYWZJBQ-ZHJYXLETSA-N 0 0 559.663 5.296 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc31)O2 ZINC000102899327 555139110 /nfs/dbraw/zinc/13/91/10/555139110.db2.gz LYXSXUJROTYXGC-KDXMTYKHSA-N 0 0 566.874 11.690 50 30 KKEARN COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000102915184 555143744 /nfs/dbraw/zinc/14/37/44/555143744.db2.gz HTSKPPKMAPBMMD-SANMLTNESA-N 0 0 576.719 5.230 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102922825 555147639 /nfs/dbraw/zinc/14/76/39/555147639.db2.gz IGFLCLACDWZMSR-UHFFFAOYSA-N 0 0 555.612 5.065 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102924955 555149088 /nfs/dbraw/zinc/14/90/88/555149088.db2.gz CWJMWWFOZMOYLS-IUKMQXEJSA-N 0 0 522.045 5.745 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102924932 555149214 /nfs/dbraw/zinc/14/92/14/555149214.db2.gz XQNVYLGUDWTZJM-SZYGQJGOSA-N 0 0 598.224 9.260 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102925050 555149375 /nfs/dbraw/zinc/14/93/75/555149375.db2.gz JRLQBPCKLQQCMT-NPJIAGGLSA-N 0 0 530.602 5.647 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102925296 555149425 /nfs/dbraw/zinc/14/94/25/555149425.db2.gz VKIMLZIWLKZUOU-ZZIWUOEGSA-N 0 0 519.022 6.592 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102925124 555149454 /nfs/dbraw/zinc/14/94/54/555149454.db2.gz JZWZZAWULVNKFX-AHPONGEQSA-N 0 0 554.687 5.280 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102925301 555149663 /nfs/dbraw/zinc/14/96/63/555149663.db2.gz VKIMLZIWLKZUOU-UVDRRRQGSA-N 0 0 519.022 6.592 50 30 KKEARN N#Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000102926340 555150686 /nfs/dbraw/zinc/15/06/86/555150686.db2.gz AGQCYNXCMIBQQH-YKGWIAGDSA-N 0 0 519.601 7.623 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102926800 555151546 /nfs/dbraw/zinc/15/15/46/555151546.db2.gz LRTWRWXHGWMXLX-QBCYBHDASA-N 0 0 527.617 5.819 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)OCc2ccc(C#N)cc2)ccc1Cl ZINC000102927016 555151738 /nfs/dbraw/zinc/15/17/38/555151738.db2.gz UFUWGWOQJHNIQV-UHFFFAOYSA-N 0 0 617.039 5.753 50 30 KKEARN O=C(CSc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 ZINC000102927824 555152627 /nfs/dbraw/zinc/15/26/27/555152627.db2.gz PSAURLLSINIWRI-UHFFFAOYSA-N 0 0 588.470 7.820 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102928024 555153228 /nfs/dbraw/zinc/15/32/28/555153228.db2.gz FSJOFDCBJXYWGG-ICQXDZJJSA-N 0 0 556.659 5.995 50 30 KKEARN C=CCn1c(-c2c(N)c(C(=O)c3cccc(C(F)(F)F)c3)sc2Nc2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000102929417 555154975 /nfs/dbraw/zinc/15/49/75/555154975.db2.gz YYDFENBFLRSBQJ-UHFFFAOYSA-N 0 0 589.043 6.258 50 30 KKEARN C=C(C)CNc1sc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(N)c1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000102929590 555155495 /nfs/dbraw/zinc/15/54/95/555155495.db2.gz XLINEIRSFIHXQE-VWLOTQADSA-N 0 0 582.604 6.467 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929685 555155519 /nfs/dbraw/zinc/15/55/19/555155519.db2.gz DZHBHQLEOBIKCH-ZZIWUOEGSA-N 0 0 529.574 5.846 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102930183 555156422 /nfs/dbraw/zinc/15/64/22/555156422.db2.gz IXGGMNSINWRXPR-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930808 555157619 /nfs/dbraw/zinc/15/76/19/555157619.db2.gz KOIDEAPNQPVZOU-ZORLYMSLSA-N 0 0 548.639 6.983 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102931465 555158773 /nfs/dbraw/zinc/15/87/73/555158773.db2.gz DPGSAZKAHJVBMM-ZORLYMSLSA-N 0 0 564.638 5.998 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102931675 555159261 /nfs/dbraw/zinc/15/92/61/555159261.db2.gz LEGBTGMNUAYRPF-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102932507 555160000 /nfs/dbraw/zinc/16/00/00/555160000.db2.gz PIXXAZXRDKIKOQ-KXDYMIPJSA-N 0 0 523.626 5.046 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(C)cc1 ZINC000102932881 555160265 /nfs/dbraw/zinc/16/02/65/555160265.db2.gz BCIYVAGWADNNIQ-ZORLYMSLSA-N 0 0 596.650 9.661 50 30 KKEARN O=C(Nc1ccc(C2(c3ccc(NC(=O)c4cc(F)c(F)c(F)c4F)cc3)CCCCC2)cc1)c1cc(F)c(F)c(F)c1F ZINC000102936348 555164259 /nfs/dbraw/zinc/16/42/59/555164259.db2.gz HJRZVESQSHLGOE-UHFFFAOYSA-N 0 0 618.524 8.554 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940307 555168758 /nfs/dbraw/zinc/16/87/58/555168758.db2.gz CNAVKMZCMMZNGD-KDXMTYKHSA-N 0 0 615.404 5.259 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1c(Cl)cccc1Cl)(N1C[C@@H](C)O[C@@H](C)C1)N(C)C(c1ccccc1)=N2 ZINC000102940336 555168905 /nfs/dbraw/zinc/16/89/05/555168905.db2.gz GRTNOZCIGLNSLS-NMGQBULTSA-N 0 0 570.465 6.533 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000102942657 555170806 /nfs/dbraw/zinc/17/08/06/555170806.db2.gz QOJVZOOCNMVEBA-NSOVKSMOSA-N 0 0 608.732 5.333 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000102966561 555180409 /nfs/dbraw/zinc/18/04/09/555180409.db2.gz BCKTZPLYWGTAPU-UZINISAASA-N 0 0 512.772 7.661 50 30 biogenic KKEARN CCN(Cc1ccccc1)c1ccc(/C=C2/CN(C)C/C(=C/c3ccc(N(CC)Cc4ccccc4)cc3)C2=O)cc1 ZINC000102970893 555181454 /nfs/dbraw/zinc/18/14/54/555181454.db2.gz GEJVUZWREOEQHF-XMQRHNBDSA-N 0 0 555.766 7.721 50 30 KKEARN CCOc1ccc(Cl)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(-c2ccccc2)c1=O ZINC000102973824 555183836 /nfs/dbraw/zinc/18/38/36/555183836.db2.gz UMJQPFADUVTCIF-BBBGJPHSSA-N 0 0 570.885 5.400 50 30 KKEARN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)Cc2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000102982678 555188749 /nfs/dbraw/zinc/18/87/49/555188749.db2.gz HMDTYVIKEJTCBS-UHFFFAOYSA-N 0 0 535.025 6.302 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C1CCCCC1 ZINC000102991168 555192475 /nfs/dbraw/zinc/19/24/75/555192475.db2.gz VVIUPJFFELRPOJ-UHFFFAOYSA-N 0 0 556.813 7.167 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2)C[C@H]1C ZINC000102992593 555193145 /nfs/dbraw/zinc/19/31/45/555193145.db2.gz XCMXETRLJZTQTO-XMMPIXPASA-N 0 0 594.225 6.526 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000102996060 555195484 /nfs/dbraw/zinc/19/54/84/555195484.db2.gz KBIGMKAAQCFSKS-SSEXGKCCSA-N 0 0 509.760 5.816 50 30 KKEARN CCCCCCCCC(=O)N1CCC(N(Cc2ccc(Cl)cc2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1 ZINC000102995903 555195501 /nfs/dbraw/zinc/19/55/01/555195501.db2.gz VMVBAJWJEFGZHI-UHFFFAOYSA-N 0 0 586.239 5.098 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000102996182 555195844 /nfs/dbraw/zinc/19/58/44/555195844.db2.gz BYUDPCLHQGHAGR-NGQVCNFZSA-N 0 0 509.760 5.814 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(C)C ZINC000102999457 555199003 /nfs/dbraw/zinc/19/90/03/555199003.db2.gz DMVLPGYLVZYERQ-UHFFFAOYSA-N 0 0 528.759 7.164 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@H](C)CC ZINC000102999505 555199257 /nfs/dbraw/zinc/19/92/57/555199257.db2.gz CPBYVQSZQGHSBE-HHHXNRCGSA-N 0 0 556.788 7.416 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000102999601 555199294 /nfs/dbraw/zinc/19/92/94/555199294.db2.gz QTMIDRTZGJRWLZ-UHFFFAOYSA-N 0 0 597.797 6.009 50 30 KKEARN CCCCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)C ZINC000102999768 555199438 /nfs/dbraw/zinc/19/94/38/555199438.db2.gz ULZMHHUBKDZJRU-UHFFFAOYSA-N 0 0 519.723 7.499 50 30 KKEARN C=CCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)CCCCCCCCCCCCC ZINC000103000630 555200504 /nfs/dbraw/zinc/20/05/04/555200504.db2.gz WMVOXCHUGIIGNS-UHFFFAOYSA-N 0 0 554.797 7.721 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000103000652 555200523 /nfs/dbraw/zinc/20/05/23/555200523.db2.gz OCHKMTCKGYXFAQ-UHFFFAOYSA-N 0 0 601.873 7.278 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000103000624 555200544 /nfs/dbraw/zinc/20/05/44/555200544.db2.gz GXDLKGXTDBOZHB-UHFFFAOYSA-N 0 0 611.824 6.399 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC2)cc1 ZINC000103000888 555200806 /nfs/dbraw/zinc/20/08/06/555200806.db2.gz ZBUPILVEVDJJAW-MUUNZHRXSA-N 0 0 527.838 8.437 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1Cl ZINC000103005731 555203858 /nfs/dbraw/zinc/20/38/58/555203858.db2.gz SYBKRUMDORERTH-QGZVFWFLSA-N 0 0 624.037 5.883 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008457 555205283 /nfs/dbraw/zinc/20/52/83/555205283.db2.gz RGXNJCRAUUOLNA-KJYTXNCISA-N 0 0 602.634 5.501 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103009800 555205707 /nfs/dbraw/zinc/20/57/07/555205707.db2.gz WBNUCMRLEYQNKV-QLBJFCOMSA-N 0 0 594.561 5.592 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)ccc1Cl ZINC000103010595 555205998 /nfs/dbraw/zinc/20/59/98/555205998.db2.gz TZXIIOSTJQXULH-UHFFFAOYSA-N 0 0 548.473 6.652 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103013090 555207467 /nfs/dbraw/zinc/20/74/67/555207467.db2.gz JWADKNUJUWHQMN-PISWEHOVSA-N 0 0 553.677 5.259 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103014905 555208566 /nfs/dbraw/zinc/20/85/66/555208566.db2.gz IYTLBCKHWHYGJS-PISWEHOVSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103015337 555208627 /nfs/dbraw/zinc/20/86/27/555208627.db2.gz SCIJCACZXIIDNH-FTBPSBKWSA-N 0 0 622.099 5.837 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccsc1 ZINC000103017085 555210021 /nfs/dbraw/zinc/21/00/21/555210021.db2.gz ZYHZGJAWFLRQLF-MDNUFGMLSA-N 0 0 582.600 5.514 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(OCC)cc1 ZINC000103019465 555211267 /nfs/dbraw/zinc/21/12/67/555211267.db2.gz FRCBYUUYHAFMRP-MRJKTFCFSA-N 0 0 533.621 5.996 50 30 KKEARN CCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S/C1=N\c1ccccc1 ZINC000103019491 555211280 /nfs/dbraw/zinc/21/12/80/555211280.db2.gz XFBFJGHZFLLGMK-RMWQGCJTSA-N 0 0 511.997 6.899 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1Cl ZINC000103022272 555213371 /nfs/dbraw/zinc/21/33/71/555213371.db2.gz HKPZVLLPVMASRA-UHFFFAOYSA-N 0 0 534.987 6.481 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc(-c4ccccc4)cs3)cc2)c1 ZINC000103025387 555215702 /nfs/dbraw/zinc/21/57/02/555215702.db2.gz GUBXGQAJNXNNTI-XFAILSGYSA-N 0 0 537.710 7.189 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000103030251 555218627 /nfs/dbraw/zinc/21/86/27/555218627.db2.gz ANFYDEMJILYWDU-UHFFFAOYSA-N 0 0 547.029 5.008 50 30 KKEARN CCCCCCCCC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000103051311 555233708 /nfs/dbraw/zinc/23/37/08/555233708.db2.gz CRXHDUFPDFSGGU-UHFFFAOYSA-N 0 0 516.679 5.094 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000103064240 555244886 /nfs/dbraw/zinc/24/48/86/555244886.db2.gz GGCJPENCBSEDFR-UHFFFAOYSA-N 0 0 537.089 5.911 50 30 KKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1 ZINC000103065608 555246108 /nfs/dbraw/zinc/24/61/08/555246108.db2.gz IHKGRSNBBABDHF-WJOKGBTCSA-N 0 0 503.687 7.276 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)c(OC)c1 ZINC000103067616 555247829 /nfs/dbraw/zinc/24/78/29/555247829.db2.gz QLPOBSRBURYEPP-UHFFFAOYSA-N 0 0 607.836 7.152 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000103068276 555248752 /nfs/dbraw/zinc/24/87/52/555248752.db2.gz CEFAGRIUHNGDBN-UHFFFAOYSA-N 0 0 574.732 6.406 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2CCc2ccccc2)c1 ZINC000103069894 555250509 /nfs/dbraw/zinc/25/05/09/555250509.db2.gz IROSCOPFUPAACE-UHFFFAOYSA-N 0 0 609.177 5.474 50 30 KKEARN CCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)c(OC)c1 ZINC000103070948 555251691 /nfs/dbraw/zinc/25/16/91/555251691.db2.gz TZXHRUDRRTUYPS-UHFFFAOYSA-N 0 0 565.755 5.982 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)[C@H]3c1ccc(C(F)(F)F)cc1 ZINC000103074307 555254168 /nfs/dbraw/zinc/25/41/68/555254168.db2.gz JVVVJMHGQRTERZ-DEOSSOPVSA-N 0 0 536.447 7.141 50 30 KKEARN COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000103080694 555259478 /nfs/dbraw/zinc/25/94/78/555259478.db2.gz PQBVTUQLWBHRJT-UHFFFAOYSA-N 0 0 588.107 5.171 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000103113060 555286100 /nfs/dbraw/zinc/28/61/00/555286100.db2.gz HQINUQOZNLTDKL-FOKKRWDCSA-N 0 0 555.627 5.355 50 30 KKEARN CCCCCCCC(=O)c1ccc(OCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 ZINC000103114754 555287588 /nfs/dbraw/zinc/28/75/88/555287588.db2.gz YLOJHHJTGVKMRM-UHFFFAOYSA-N 0 0 507.652 7.153 50 30 KKEARN 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523.832 6.148 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000105166799 571391925 /nfs/dbraw/zinc/39/19/25/571391925.db2.gz LJIZMIMCHYDAGC-NQKKQSHASA-N 0 0 596.756 7.293 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5C(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877406 571409007 /nfs/dbraw/zinc/40/90/07/571409007.db2.gz JYGNIQLFOUTDMS-RKYIVISYSA-N 0 0 596.818 10.158 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C#N)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877468 571409186 /nfs/dbraw/zinc/40/91/86/571409186.db2.gz CCAHOMDKALYCPZ-BBVPIGHASA-N 0 0 553.831 9.011 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000105959048 571409520 /nfs/dbraw/zinc/40/95/20/571409520.db2.gz OJFRMSXZLNELQZ-ZEXTTWEMSA-N 0 0 527.017 6.699 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC(C)C)C2=O)cc1OC ZINC000105959115 571409592 /nfs/dbraw/zinc/40/95/92/571409592.db2.gz YTATZSKDORSXRM-YWIDBZNQSA-N 0 0 529.456 5.738 50 30 KKEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c1C ZINC000105965704 571409594 /nfs/dbraw/zinc/40/95/94/571409594.db2.gz HEBMWKOMJRWQTM-QFDQHJFZSA-N 0 0 603.297 8.012 50 30 KKEARN CCCCCCC[C@H](CCCCCCCc1cccc(OC[C@@H]2CO2)c1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000106408456 571412512 /nfs/dbraw/zinc/41/25/12/571412512.db2.gz GAHSOUKDFQCWJX-WDZQTAOZSA-N 0 0 508.743 8.269 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)c1ccccc1 ZINC000106412465 571412513 /nfs/dbraw/zinc/41/25/13/571412513.db2.gz OQQSVTLTTRZWEV-ACHIHNKUSA-N 0 0 567.792 7.465 50 30 KKEARN Cc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)c(N)c32)c1 ZINC000113481661 571439124 /nfs/dbraw/zinc/43/91/24/571439124.db2.gz KNECWTRIOYUVIF-KGENOOAVSA-N 0 0 607.779 9.793 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)c(N)c32)cc1 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O=C1C[C@@H](Sc2cccc(N=Cc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000113562222 571440404 /nfs/dbraw/zinc/44/04/04/571440404.db2.gz FCIKHYDLFJUTIQ-QMPKWXHSSA-N 0 0 500.363 6.076 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](SC(=NC#N)Nc3ccccc3Cl)C1=O)C[C@H](C)CC2 ZINC000113561788 571440312 /nfs/dbraw/zinc/44/03/12/571440312.db2.gz DZPCSXCCUMCZFR-FZKQIMNGSA-N 0 0 531.059 5.017 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113563259 571440493 /nfs/dbraw/zinc/44/04/93/571440493.db2.gz PEMDZOXUHNYOKS-QIDLBESASA-N 0 0 585.754 8.673 50 30 KKEARN COc1ccc(-c2cc(-c3cccc(C)c3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113563534 571440563 /nfs/dbraw/zinc/44/05/63/571440563.db2.gz LRPAFRNTPMUTCG-WUKNDPDISA-N 0 0 601.753 8.739 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)c1 ZINC000113563866 571440605 /nfs/dbraw/zinc/44/06/05/571440605.db2.gz DUKORZRDQPHODT-SQAMQDMYSA-N 0 0 601.753 8.373 50 30 KKEARN C[C@H](Sc1nc(-c2ccccc2)cc(-c2cccc(F)c2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113563557 571440634 /nfs/dbraw/zinc/44/06/34/571440634.db2.gz RIRYHDRLFKGCRP-QWYDYZLZSA-N 0 0 589.717 8.503 50 30 KKEARN C[C@@H](Sc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113564608 571440839 /nfs/dbraw/zinc/44/08/39/571440839.db2.gz ZHJTUGUFYYYKCE-CRGRJFMMSA-N 0 0 589.717 8.503 50 30 KKEARN CCCCCCCCCCCCc1csc(-c2cc(CCCCCCCCCCCC)cs2)c1 ZINC000115858368 571443334 /nfs/dbraw/zinc/44/33/34/571443334.db2.gz DWWZELSEBSRUMM-UHFFFAOYSA-N 0 0 502.918 12.403 50 30 KKEARN Cc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2C#N)cc1 ZINC000135656080 571448809 /nfs/dbraw/zinc/44/88/09/571448809.db2.gz NKEFHEAOBDGFJV-UHFFFAOYSA-N 0 0 546.681 6.699 50 30 KKEARN CCCCOc1ccc([C@H]2C(c3nc(-c4ccc(Br)cc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000136643816 571449577 /nfs/dbraw/zinc/44/95/77/571449577.db2.gz RQIACSYWSXUTLO-RUZDIDTESA-N 0 0 579.560 7.836 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4c3Cl)sc2C1 ZINC000137016991 571449941 /nfs/dbraw/zinc/44/99/41/571449941.db2.gz HTJCZWFXEWODDU-HNNXBMFYSA-N 0 0 558.029 7.405 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC(O)(c3ccc(C)cc3)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000137067864 571450224 /nfs/dbraw/zinc/45/02/24/571450224.db2.gz SNZSILOAVKEFKN-HKBQPEDESA-N 0 0 547.651 6.217 50 30 KKEARN CCCCCCCCOc1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccccc7c7cc(OCCCCCCCC)c(c1c4c32)c5c67 ZINC000150339475 571457439 /nfs/dbraw/zinc/45/74/39/571457439.db2.gz LLPQZABTDLOYAL-UHFFFAOYSA-N 0 0 712.930 13.425 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150343722 571459082 /nfs/dbraw/zinc/45/90/82/571459082.db2.gz IVWMVBZXKIOILW-PGIPBFRLSA-N 0 0 648.106 6.689 50 30 KKEARN COc1ccc(C(O[C@H]2C[C@H](n3cnc4c3nc[nH]c4=O)O[C@@H]2CO[P@](=O)(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344943 571459565 /nfs/dbraw/zinc/45/95/65/571459565.db2.gz NWEBHSTVAZOVAY-VMXYUNNDSA-N 0 0 770.824 7.388 50 30 KKEARN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N\N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000150347474 571460848 /nfs/dbraw/zinc/46/08/48/571460848.db2.gz ANAJGYFMLRTWRW-XEMPJQOTSA-N 0 0 710.702 6.798 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccc(/N=C\c3ccc(OC(=O)/C=C\c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000150348450 571461111 /nfs/dbraw/zinc/46/11/11/571461111.db2.gz WIAXIZDYRYEGKU-HTMPFTDJSA-N 0 0 734.444 9.950 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150349728 571461596 /nfs/dbraw/zinc/46/15/96/571461596.db2.gz GELIGHKGWPOTMD-KEEVHDRGSA-N 0 0 640.571 6.721 50 30 KKEARN COc1cc(-c2ccc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c(OC)c2)ccc1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000150352365 571462399 /nfs/dbraw/zinc/46/23/99/571462399.db2.gz IOSFAXUUCOVWEB-IHXWQEJPSA-N 0 0 668.298 8.213 50 30 KKEARN C=CCc1ccc(OCCOc2c(Br)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000150352662 571462510 /nfs/dbraw/zinc/46/25/10/571462510.db2.gz OKKFEZOXLKPDNX-CQTBGPBFSA-N 0 0 647.551 6.320 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1cc(I)c(OCc3ccccc3)c(I)c1)CCCC2 ZINC000150356546 571463249 /nfs/dbraw/zinc/46/32/49/571463249.db2.gz XJPGZPAFYGCYNO-UVHMKAGCSA-N 0 0 624.285 7.037 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4ccc(Sc5nnc(C)s5)c([N+](=O)[O-])c4)cc3s2)cc1OC ZINC000150361384 571463815 /nfs/dbraw/zinc/46/38/15/571463815.db2.gz FYKNLDFJHFWCSJ-IBBHUPRXSA-N 0 0 666.832 6.734 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)cc2s1)NCc1ccccc1 ZINC000150361450 571463828 /nfs/dbraw/zinc/46/38/28/571463828.db2.gz UBWICZRFZZKOOO-KBVAKVRCSA-N 0 0 627.798 8.125 50 30 KKEARN O=C(/N=N/C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150361909 571463888 /nfs/dbraw/zinc/46/38/88/571463888.db2.gz DYPPJKHPJMGHKW-QJGAVIKSSA-N 0 0 838.274 10.750 50 30 KKEARN CCOc1c(I)cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000150362054 571464021 /nfs/dbraw/zinc/46/40/21/571464021.db2.gz ZOWJJWFCIKAUBX-KEIPNQJHSA-N 0 0 677.591 6.841 50 30 KKEARN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000150365817 571464632 /nfs/dbraw/zinc/46/46/32/571464632.db2.gz QFXYUGCEDFDOMS-YPCWPJDZSA-N 0 0 752.590 6.291 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC ZINC000150376322 571466355 /nfs/dbraw/zinc/46/63/55/571466355.db2.gz PPJAPOVNCNPISZ-DXRZYJCQSA-N 0 0 642.796 8.624 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000150376388 571466370 /nfs/dbraw/zinc/46/63/70/571466370.db2.gz HDCPOGITHWSPDO-DMDKTIFSSA-N 0 0 628.019 7.085 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000150376387 571466389 /nfs/dbraw/zinc/46/63/89/571466389.db2.gz HDCPOGITHWSPDO-MHUXBQRRSA-N 0 0 628.019 7.085 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC ZINC000150376320 571466395 /nfs/dbraw/zinc/46/63/95/571466395.db2.gz PPJAPOVNCNPISZ-KHOPZPRASA-N 0 0 642.796 8.624 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(Cl)c(Cl)c2)cc1OC ZINC000150378615 571466787 /nfs/dbraw/zinc/46/67/87/571466787.db2.gz JMTBIBWFIHIWMZ-SLHQUXRVSA-N 0 0 658.938 7.382 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150384213 571468149 /nfs/dbraw/zinc/46/81/49/571468149.db2.gz CDXRSUQFAPYXKQ-RZDMPUFOSA-N 0 0 652.641 6.380 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000150384185 571468151 /nfs/dbraw/zinc/46/81/51/571468151.db2.gz CHVVQGHEFPJINB-DOEKTCAHSA-N 0 0 635.639 5.636 50 30 KKEARN CCOc1cc(/C=N/CC/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc(Br)c1OCc1ccccc1Cl ZINC000150385570 571469015 /nfs/dbraw/zinc/46/90/15/571469015.db2.gz DGYLWSPIYUTMBY-DVIGQUAASA-N 0 0 763.354 10.012 50 30 KKEARN Cc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3OCc3ccccc3C#N)SC2=S)cc1C ZINC000150386532 571469382 /nfs/dbraw/zinc/46/93/82/571469382.db2.gz IDDKJNLFSLFYQT-FOKLQQMPSA-N 0 0 708.384 7.369 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000150388956 571471292 /nfs/dbraw/zinc/47/12/92/571471292.db2.gz VDVMACSHKHGFEJ-WGOQTCKBSA-N 0 0 654.526 6.591 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3ccc([C@@H]4C5C(=O)CCCC5=Nc5nc(SCc6ccccn6)nn54)cc3)C12 ZINC000150388992 571471338 /nfs/dbraw/zinc/47/13/38/571471338.db2.gz FSQVOXRCRWAEJV-ROJLCIKYSA-N 0 0 700.854 6.288 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000150389033 571471443 /nfs/dbraw/zinc/47/14/43/571471443.db2.gz UJHICHNWAWWOSM-LGJNPRDNSA-N 0 0 684.508 6.011 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150390479 571472816 /nfs/dbraw/zinc/47/28/16/571472816.db2.gz YSAPHJWRIMKMJN-UHFFFAOYSA-N 0 0 670.553 11.663 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 ZINC000150390822 571473056 /nfs/dbraw/zinc/47/30/56/571473056.db2.gz IDOVREQOQXDHCN-UHFFFAOYSA-N 0 0 676.213 5.008 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@]2(Nc3ccc(Br)cc3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000150396760 571476657 /nfs/dbraw/zinc/47/66/57/571476657.db2.gz KTRDFSBJTBCQAG-GOSISDBHSA-N 0 0 642.013 6.464 50 30 KKEARN O=C1/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)CC/C1=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000150396717 571476675 /nfs/dbraw/zinc/47/66/75/571476675.db2.gz AQDGUHXXBUWPRX-FBZVMFEUSA-N 0 0 700.886 11.228 50 30 KKEARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150397942 571477099 /nfs/dbraw/zinc/47/70/99/571477099.db2.gz KJKBFWBBIHMWRK-UHFFFAOYSA-N 0 0 664.440 7.659 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O/N=c2/oc3cc4c(cc3c3c2CCCC3)CCC2(CCCCC2)O4)cc1 ZINC000150400267 571477862 /nfs/dbraw/zinc/47/78/62/571477862.db2.gz XRXBREPYXQLUCB-OTRMGHKVSA-N 0 0 640.802 6.597 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@H]2OC(c3cccc(OCc4ccc(Cl)cc4Cl)c3)=NN2C(C)=O)c1C#N ZINC000150400105 571477882 /nfs/dbraw/zinc/47/78/82/571477882.db2.gz MPDTUJKMGDPGIV-XMMPIXPASA-N 0 0 634.314 6.002 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000150400061 571477941 /nfs/dbraw/zinc/47/79/41/571477941.db2.gz IUGHNOHGOYCMNU-GTWSWNCMSA-N 0 0 650.697 9.987 50 30 KKEARN O=C(/N=C1\SCCN1C(=O)c1cc(Br)cc(Br)c1I)c1cc(Br)cc(Br)c1I ZINC000150406670 571479821 /nfs/dbraw/zinc/47/98/21/571479821.db2.gz BOGFXAFNTNDQND-ULJHMMPZSA-N 0 0 877.754 7.331 50 30 KKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000150408170 571480595 /nfs/dbraw/zinc/48/05/95/571480595.db2.gz LRTDBEJFCISASC-PHEQNACWSA-N 0 0 756.640 7.616 50 30 KKEARN CCCCCCCN1c2ccccc2C(C)(C)/C1=C\C=c1c(=O)c(=O)c(=C/C=C2\N(CCCCCCC)c3ccccc3C2(C)C)c(=O)c1=O ZINC000150410266 571482626 /nfs/dbraw/zinc/48/26/26/571482626.db2.gz JCWQOOOFEXLNGG-ZVUFBADFSA-N 0 0 674.926 6.868 50 30 KKEARN C(#Cc1ccc(-c2nc3ccccc3nc2-c2ccc(C#Cc3ccc(Sc4ccccc4)cc3)cc2)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000150412811 571484530 /nfs/dbraw/zinc/48/45/30/571484530.db2.gz ZULVGFGZMPQEDX-UHFFFAOYSA-N 0 0 698.916 12.066 50 30 KKEARN CC1(C)[C@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000150413166 571484783 /nfs/dbraw/zinc/48/47/83/571484783.db2.gz LTADMUNPSAKPHW-QFIPXVFZSA-N 0 0 634.499 8.213 50 30 KKEARN C(#Cc1ccc(-c2nc3ccccc3nc2-c2ccc(C#Cc3ccc(Oc4ccccc4)cc3)cc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000150413591 571484813 /nfs/dbraw/zinc/48/48/13/571484813.db2.gz JKZTUTZJHSYMNO-UHFFFAOYSA-N 0 0 666.780 11.348 50 30 KKEARN C=CCO[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H](Sc2ccccc2)[C@@H](OCC=C)[C@H]1OCC=C ZINC000150420650 571487297 /nfs/dbraw/zinc/48/72/97/571487297.db2.gz TXRQHCCREUGESF-WEMFOFRKSA-N 0 0 634.838 8.226 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)c(N)c32)cc1 ZINC000150425662 571489884 /nfs/dbraw/zinc/48/98/84/571489884.db2.gz HGDPAHRYAZFCMH-RGVLZGJSSA-N 0 0 642.224 10.446 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCCCC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCCCC1 ZINC000150427172 571491378 /nfs/dbraw/zinc/49/13/78/571491378.db2.gz GBIAKPHAEKHMAJ-UHFFFAOYSA-N 0 0 650.921 5.906 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCN(Cc4ccccc4)CC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCN(Cc2ccccc2)CC1 ZINC000150427663 571491692 /nfs/dbraw/zinc/49/16/92/571491692.db2.gz QRZFZVOMZYMXAT-UHFFFAOYSA-N 0 0 833.147 6.570 50 30 KKEARN CNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2[C@@H](O[C@@H]2c3ccccc3C(=O)C(c3ccc(Cl)c(Cl)c3)=C(NC)N2C)N1C ZINC000150431096 571493540 /nfs/dbraw/zinc/49/35/40/571493540.db2.gz YURDEIHQQKBOOP-ZANLLYFFSA-N 0 0 708.473 9.814 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435424 571495586 /nfs/dbraw/zinc/49/55/86/571495586.db2.gz KMDPUFFMEZVRFZ-CYNIHOGXSA-N 0 0 646.765 7.841 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435842 571496099 /nfs/dbraw/zinc/49/60/99/571496099.db2.gz RWTAJAJKOCXJDZ-RJIUIVJKSA-N 0 0 664.736 7.070 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000150436588 571496257 /nfs/dbraw/zinc/49/62/57/571496257.db2.gz ZTUKLNHJEHCEDX-XZJHWRHTSA-N 0 0 645.752 7.267 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccccc2/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1 ZINC000150437191 571496667 /nfs/dbraw/zinc/49/66/67/571496667.db2.gz YHQASAQARSGKNI-FUDJOAFKSA-N 0 0 734.444 9.950 50 30 KKEARN [O-]c1c(I)cc(I)cc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000150440707 571498026 /nfs/dbraw/zinc/49/80/26/571498026.db2.gz UGNCPQUPIVIIDL-JFLMPSFJSA-N 0 0 621.260 5.323 50 30 KKEARN O=S(=O)(Nc1ccccc1I)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)Nc3ccccc3I)ccc1-2 ZINC000150452922 571503447 /nfs/dbraw/zinc/50/34/47/571503447.db2.gz FHGWOTGEWDJLAH-UHFFFAOYSA-N 0 0 832.483 7.342 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453804 571503811 /nfs/dbraw/zinc/50/38/11/571503811.db2.gz OFSFZJIZXPIFLN-GXKLCEICSA-N 0 0 648.737 7.232 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1 ZINC000150456532 571504805 /nfs/dbraw/zinc/50/48/05/571504805.db2.gz SZEOOXOMYNISTA-VEZPTTSMSA-N 0 0 661.519 10.115 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457045 571504823 /nfs/dbraw/zinc/50/48/23/571504823.db2.gz FZIFKBJLIYHAAG-WREUJOMVSA-N 0 0 642.774 7.612 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462860 571506693 /nfs/dbraw/zinc/50/66/93/571506693.db2.gz GDOOMUPVZBWQEQ-XRDGOKTRSA-N 0 0 634.710 6.842 50 30 KKEARN N#Cc1c(N(C(=O)c2ccccc2I)C(=O)c2ccccc2I)oc(-c2ccco2)c1-c1ccco1 ZINC000150462996 571506931 /nfs/dbraw/zinc/50/69/31/571506931.db2.gz KFXWZLSWGWZIKH-UHFFFAOYSA-N 0 0 700.226 7.368 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000150471528 571509483 /nfs/dbraw/zinc/50/94/83/571509483.db2.gz AGPRCQWHFGWEPX-UHFFFAOYSA-N 0 0 633.504 5.467 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN[C@@H](C)c1ccccc1)C(=O)C(=O)C3C(C)C)C(=CN[C@H](C)c1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150473910 571510317 /nfs/dbraw/zinc/51/03/17/571510317.db2.gz QZMZXIWBPGRBOD-BDCGSQRTSA-N 0 0 724.898 9.781 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000150473192 571510322 /nfs/dbraw/zinc/51/03/22/571510322.db2.gz ZOGWNZFMTIWZLA-OLILMLBXSA-N 0 0 644.559 5.815 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000150480666 571512116 /nfs/dbraw/zinc/51/21/16/571512116.db2.gz GDEKCWPZDGMJFY-UHFFFAOYSA-N 0 0 642.778 5.407 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150481642 571512740 /nfs/dbraw/zinc/51/27/40/571512740.db2.gz GHKLVMIFQUTKOF-FQKMCRJQSA-N 0 0 773.390 6.001 50 30 KKEARN COc1cc(/C=C/C(=O)Nc2ccc(OC(=O)/C=C/c3ccc(OC(F)(F)[C@H](F)C(F)(F)F)c(OC)c3)cc2)ccc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000150481869 571512954 /nfs/dbraw/zinc/51/29/54/571512954.db2.gz PBJHJVWKBBSYNQ-ZYVCAMHDSA-N 0 0 761.512 8.719 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000150483906 571514640 /nfs/dbraw/zinc/51/46/40/571514640.db2.gz KDUHVVXEZUTIAN-OFYULWLWSA-N 0 0 631.779 8.381 50 30 KKEARN C[C@H](Sc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000150484294 571514746 /nfs/dbraw/zinc/51/47/46/571514746.db2.gz HZKOLTRTZCCFCI-LIVHSATASA-N 0 0 765.755 9.296 50 30 KKEARN COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)c1 ZINC000150484329 571514751 /nfs/dbraw/zinc/51/47/51/571514751.db2.gz BJQOFEQHEMOCET-FOCLMDBBSA-N 0 0 655.723 9.450 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c(OC)c1 ZINC000150484919 571515481 /nfs/dbraw/zinc/51/54/81/571515481.db2.gz NKMPSPUYGIJCJE-YJCCFKNTSA-N 0 0 631.779 8.381 50 30 KKEARN N#C[C@@]1(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000150493409 571517389 /nfs/dbraw/zinc/51/73/89/571517389.db2.gz NYIVALUOJXSCJK-TXTSNRKZSA-N 0 0 671.451 10.420 50 30 KKEARN CCOc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000150508796 571519431 /nfs/dbraw/zinc/51/94/31/571519431.db2.gz LIXWQIXQIJVAOJ-GDLZYMKVSA-N 0 0 712.891 8.656 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509646 571519579 /nfs/dbraw/zinc/51/95/79/571519579.db2.gz ORLUHVRMNFWKHC-WRGVRERRSA-N 0 0 640.571 6.808 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150510337 571519764 /nfs/dbraw/zinc/51/97/64/571519764.db2.gz GKVCKYCEEJOVDO-CAQRMWTPSA-N 0 0 676.604 7.021 50 30 KKEARN O=C(Nc1ccncc1)[C@](F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F ZINC000150559018 571520945 /nfs/dbraw/zinc/52/09/45/571520945.db2.gz ZSBLEIVBVFPYSM-ZETCQYMHSA-N 0 0 654.176 6.391 50 30 KKEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2cccc(C(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000150571350 571521392 /nfs/dbraw/zinc/52/13/92/571521392.db2.gz VNZLUVXAFBZFRZ-NMGZYESXSA-N 0 0 647.564 6.443 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000150609899 571522915 /nfs/dbraw/zinc/52/29/15/571522915.db2.gz NGBZERBWVOBZDT-FMCGGJTJSA-N 0 0 627.416 5.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000150662959 571528028 /nfs/dbraw/zinc/52/80/28/571528028.db2.gz RUDYKJUPJSBFLF-KJYTXNCISA-N 0 0 652.641 6.380 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(OCC)c(OC)c3)C2=O)ccc1Cl ZINC000158653976 571529741 /nfs/dbraw/zinc/52/97/41/571529741.db2.gz UUWNDSOZEMUZGZ-ZXVVBBHZSA-N 0 0 656.182 5.595 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163816071 571543318 /nfs/dbraw/zinc/54/33/18/571543318.db2.gz NOCLWIPRQIWFMR-AJJIXENSSA-N 0 0 784.100 9.164 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3c4ccccc4ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000169616363 571553568 /nfs/dbraw/zinc/55/35/68/571553568.db2.gz DXOIRIYWPYLOSL-ZGIBFIJWSA-N 0 0 530.425 6.887 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(I)c1 ZINC000169616352 571553678 /nfs/dbraw/zinc/55/36/78/571553678.db2.gz ONDQQUSADRLJNN-BITVEADBSA-N 0 0 585.489 6.478 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000169618323 571554067 /nfs/dbraw/zinc/55/40/67/571554067.db2.gz ZWZFGQHGSRWQTE-UQCRZPQQSA-N 0 0 539.035 6.435 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000169619810 571554167 /nfs/dbraw/zinc/55/41/67/571554167.db2.gz ITZFUOKPWLCVBT-MSIBFWPZSA-N 0 0 554.425 7.160 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000169682516 571557902 /nfs/dbraw/zinc/55/79/02/571557902.db2.gz OZCQRHAJPIKACS-AFHCZAQNSA-N 0 0 526.755 7.188 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000169683146 571558045 /nfs/dbraw/zinc/55/80/45/571558045.db2.gz SRYLEGMTEXHHEF-SRPFZCJZSA-N 0 0 558.900 6.814 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3OC)cc2)cc1 ZINC000198692936 571568350 /nfs/dbraw/zinc/56/83/50/571568350.db2.gz YOQKTDNWEWYQTN-GFTXTJKWSA-N 0 0 524.533 6.612 50 30 KKEARN COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccc(/N=C/c3cc(Br)ccc3OC)cc2)cc1 ZINC000198692913 571568371 /nfs/dbraw/zinc/56/83/71/571568371.db2.gz ATGSHCIWVLIMLV-LTTYKRRRSA-N 0 0 594.303 8.522 50 30 KKEARN CCOC(=O)C(S/N=C(/c1ccccc1)C(F)(F)F)(S/N=C(/c1ccccc1)C(F)(F)F)C(=O)OCC ZINC000198746572 571568839 /nfs/dbraw/zinc/56/88/39/571568839.db2.gz YFXVJOLVYIWOMU-VYTBREFCSA-N 0 0 566.545 6.209 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ncccc43)c2C#N)cc1OC ZINC000215677453 571584663 /nfs/dbraw/zinc/58/46/63/571584663.db2.gz RLJSVQRXPPUMPU-UHFFFAOYSA-N 0 0 532.625 6.583 50 30 KKEARN CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000215717735 571585099 /nfs/dbraw/zinc/58/50/99/571585099.db2.gz BZTOFKRJSWEMKV-SWDMKTJWSA-N 0 0 509.100 7.053 50 30 KKEARN C[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000215719753 571585195 /nfs/dbraw/zinc/58/51/95/571585195.db2.gz CVRCOCNLFIOFHW-CPBCUTPGSA-N 0 0 547.920 8.035 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3/N=C/c3cccnc3Cl)c3ccccc3)sc2C1 ZINC000215720341 571585329 /nfs/dbraw/zinc/58/53/29/571585329.db2.gz QJOHLMDFERVVIX-ICSBXLDBSA-N 0 0 557.144 8.016 50 30 KKEARN Cc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C#N)c1 ZINC000215737578 571585619 /nfs/dbraw/zinc/58/56/19/571585619.db2.gz OOCURPFQTFVOBW-UHFFFAOYSA-N 0 0 553.993 7.879 50 30 KKEARN COc1ccc(/C=C2/Oc3c(ccc4c3[C@H](c3cc(Br)cc5c3OCOC5)CC(=O)O4)C2=O)cc1 ZINC000217612583 571601809 /nfs/dbraw/zinc/60/18/09/571601809.db2.gz ASDJEMNJUNRMLE-XZJGECCCSA-N 0 0 535.346 5.381 50 30 KKEARN COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3ccc4c(c31)O/C(=C\c1cccc(OC)c1OC)C4=O)c(=O)n2CC(C)C ZINC000217981539 571603052 /nfs/dbraw/zinc/60/30/52/571603052.db2.gz NSICNGNGPNBYMH-PLIDZJGOSA-N 0 0 581.621 5.741 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1 ZINC000218054354 571603218 /nfs/dbraw/zinc/60/32/18/571603218.db2.gz BDQKSPYEJDHCGZ-ZHORMKCVSA-N 0 0 560.602 6.309 50 30 biogenic KKEARN COc1cc(C(=C2C(=O)CCCC2=O)C2C(=O)CCCC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000220961737 571604200 /nfs/dbraw/zinc/60/42/00/571604200.db2.gz CSAKDHGUEZUXKD-UHFFFAOYSA-N 0 0 515.389 6.222 50 30 KKEARN CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000225411287 571779275 /nfs/dbraw/zinc/77/92/75/571779275.db2.gz PAUJHKJHBSBARW-DOBADDLBSA-N 0 0 604.744 5.561 50 30 biogenic KKEARN CCCCCCCCCCCc1c(=O)c(O)cc2nnc(COc3ccc(C)cc3-c3ccno3)oc1-2 ZINC000261492695 572110813 /nfs/dbraw/zinc/11/08/13/572110813.db2.gz MMUZPLUKDUAWFT-UHFFFAOYSA-N 0 0 505.615 6.856 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C1=O)cn2C ZINC000263584756 572115422 /nfs/dbraw/zinc/11/54/22/572115422.db2.gz AFDYYMWSOOZPGT-DSJYFCJCSA-N 0 0 643.692 6.809 50 30 KKEARN CCCCC(=O)Nc1cccc(C(=O)C2=Cc3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 ZINC000263585079 572116367 /nfs/dbraw/zinc/11/63/67/572116367.db2.gz DWZFEJOEXYICMU-UHFFFAOYSA-N 0 0 515.404 5.027 50 30 KKEARN COc1ccc(C(=O)Nc2cccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)c2)cc1 ZINC000263585187 572117081 /nfs/dbraw/zinc/11/70/81/572117081.db2.gz GAYHKDBOIIHNOW-UHFFFAOYSA-N 0 0 565.420 5.159 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3Br)CC(=O)O4)C2=O)cc1 ZINC000263585763 572119717 /nfs/dbraw/zinc/11/97/17/572119717.db2.gz MEYPKLXWZDDAMH-UMUMUWHJSA-N 0 0 505.320 5.293 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc(F)cc1)N(C)CC4 ZINC000263586048 572121608 /nfs/dbraw/zinc/12/16/08/572121608.db2.gz PFAGQZRFHSMFJK-UHFFFAOYSA-N 0 0 501.554 5.878 50 30 KKEARN COc1cc(/C=C2\Oc3c(ccc4c3[C@@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263586343 572122852 /nfs/dbraw/zinc/12/28/52/572122852.db2.gz SUCSPWRCLXKETH-QASZEQDYSA-N 0 0 512.514 5.197 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 ZINC000263586435 572122920 /nfs/dbraw/zinc/12/29/20/572122920.db2.gz ULPUUULHZVPPMY-LJAKKAIASA-N 0 0 576.601 6.161 50 30 KKEARN COc1ccc(C(=O)C2=Cc3c(c4ccc5cc(OC)c(OC)cc5c4c(OC)c3OC)CCN2C)cc1OC ZINC000263586381 572123073 /nfs/dbraw/zinc/12/30/73/572123073.db2.gz TVYMZPSTPGPXBA-UHFFFAOYSA-N 0 0 543.616 5.756 50 30 KKEARN Cc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc4c(c3)OCCO4)C5=O)c(=O)[nH]c2c1 ZINC000263586488 572123551 /nfs/dbraw/zinc/12/35/51/572123551.db2.gz UYSCWXUNRJQVFV-AXKQXYKKSA-N 0 0 507.498 5.077 50 30 KKEARN CCCCCCCCOc1ccc([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000263588564 572126600 /nfs/dbraw/zinc/12/66/00/572126600.db2.gz VUCAMLLKTSEXDB-MUUNZHRXSA-N 0 0 562.707 6.110 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4cc(F)c(F)c(F)c4)c1)N(C)CC3)OCO2 ZINC000263588921 572126961 /nfs/dbraw/zinc/12/69/61/572126961.db2.gz ZXLFLSOQCPNYER-UHFFFAOYSA-N 0 0 589.364 5.568 50 30 KKEARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000226074072 572127379 /nfs/dbraw/zinc/12/73/79/572127379.db2.gz CHVZIVSVLWSTOX-WJOKGBTCSA-N 0 0 500.646 7.260 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1 ZINC000226073910 572127407 /nfs/dbraw/zinc/12/74/07/572127407.db2.gz RGFKHWGSRVKPLN-JIYROHSKSA-N 0 0 514.673 7.392 50 30 KKEARN CCCCCCCCOc1ccc(C2=N[C@H]3SC(c4ccc(OCCCCCCCC)cc4)=N[C@H]3S2)cc1 ZINC000226757317 572140847 /nfs/dbraw/zinc/14/08/47/572140847.db2.gz LACZLYGYNNLLIV-ACHIHNKUSA-N 0 0 552.850 9.504 50 30 KKEARN CCCCCCCCCOc1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000390834806 572155821 /nfs/dbraw/zinc/15/58/21/572155821.db2.gz ASXCKFFVMRQIIU-JRFUWDIESA-N 0 0 514.750 8.943 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229613697 572156529 /nfs/dbraw/zinc/15/65/29/572156529.db2.gz SBSWJWUNUHQIFJ-IZJWOVIGSA-N 0 0 620.492 6.877 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000229680296 572159347 /nfs/dbraw/zinc/15/93/47/572159347.db2.gz RLUWEDUUYKGLSD-YVESUCRWSA-N 0 0 543.701 6.219 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000229654128 572159685 /nfs/dbraw/zinc/15/96/85/572159685.db2.gz BPYURBSTCWJQFU-CPJIJYJCSA-N 0 0 586.047 6.224 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000229807131 572160313 /nfs/dbraw/zinc/16/03/13/572160313.db2.gz IBLOBTNDDZOBNZ-VRIGDROISA-N 0 0 585.616 6.104 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229878238 572164734 /nfs/dbraw/zinc/16/47/34/572164734.db2.gz HVBRAWZPYSQANZ-ZJSPYRCASA-N 0 0 621.409 5.846 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(I)cc1 ZINC000229894493 572166121 /nfs/dbraw/zinc/16/61/21/572166121.db2.gz ZKWIGURENOBPLT-GVAUOCQISA-N 0 0 561.810 6.229 50 30 KKEARN CC(=O)C1=C(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]12 ZINC000229896793 572166614 /nfs/dbraw/zinc/16/66/14/572166614.db2.gz WBJBIUBQWVNGAH-VTMWORFUSA-N 0 0 644.577 7.127 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000229947484 572173096 /nfs/dbraw/zinc/17/30/96/572173096.db2.gz GBVIOVMRLAXHNM-COLOXBMXSA-N 0 0 588.520 5.612 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5[nH]c6ccccc6c5C[C@]43C)[C@@H]2C1 ZINC000229961410 572174343 /nfs/dbraw/zinc/17/43/43/572174343.db2.gz OBFXFIRRJYJXQD-PQZAIGRKSA-N 0 0 555.803 8.335 50 30 biogenic KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000230027202 572180016 /nfs/dbraw/zinc/18/00/16/572180016.db2.gz LIVYZLWPRDTFGB-NQHRYMMQSA-N 0 0 594.561 5.592 50 30 KKEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230030826 572180204 /nfs/dbraw/zinc/18/02/04/572180204.db2.gz GBDHPYDFFZZLEP-CTLMXMBBSA-N 0 0 539.035 6.561 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000230126524 572184081 /nfs/dbraw/zinc/18/40/81/572184081.db2.gz RCQZXROIAHHHCI-JMJMSVOMSA-N 0 0 581.665 6.201 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(I)c1 ZINC000230204154 572185345 /nfs/dbraw/zinc/18/53/45/572185345.db2.gz ONDQQUSADRLJNN-BSVVFNILSA-N 0 0 585.489 6.478 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1 ZINC000231434610 572187526 /nfs/dbraw/zinc/18/75/26/572187526.db2.gz IQDYQVRNAJYZQX-CJXZHKSPSA-N 0 0 516.689 7.482 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000238900015 572188963 /nfs/dbraw/zinc/18/89/63/572188963.db2.gz HQINUQOZNLTDKL-FLVRFYSZSA-N 0 0 555.627 5.355 50 30 KKEARN [O-]c1c(Br)cc(Br)cc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000238997398 572190065 /nfs/dbraw/zinc/19/00/65/572190065.db2.gz AFNZFILSRBBQNY-UHFFFAOYSA-N 0 0 527.260 5.639 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)[C@@H]3c2ccccc2)cc1 ZINC000239164758 572191044 /nfs/dbraw/zinc/19/10/44/572191044.db2.gz MVURFWVERIYHRR-NGBRXVAQSA-N 0 0 506.598 6.619 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239386668 572194162 /nfs/dbraw/zinc/19/41/62/572194162.db2.gz PWWBCLJSKVOECF-KGFIZIGJSA-N 0 0 667.416 9.031 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000239378231 572194325 /nfs/dbraw/zinc/19/43/25/572194325.db2.gz OLEOOCSRPJRCNO-XYSSXJSASA-N 0 0 581.709 6.986 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239433341 572196005 /nfs/dbraw/zinc/19/60/05/572196005.db2.gz XNUIOMJMFRIAHR-IRPXJGOYSA-N 0 0 529.636 6.418 50 30 KKEARN CC(C)Oc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000239439060 572196224 /nfs/dbraw/zinc/19/62/24/572196224.db2.gz ZJMKHGUSTIAPSI-YHYNAULMSA-N 0 0 504.626 7.389 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)C[C@](O)(c2ccc3ccccc3c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000245228652 572205365 /nfs/dbraw/zinc/20/53/65/572205365.db2.gz AWMAHLVJOBJSFD-OEODVGFFSA-N 0 0 735.833 8.368 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000245229413 572207174 /nfs/dbraw/zinc/20/71/74/572207174.db2.gz XHNIYRRYQDMUPY-ZQBSIFDSSA-N 0 0 589.688 6.435 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000245229361 572207177 /nfs/dbraw/zinc/20/71/77/572207177.db2.gz VQUJTJJNPHDQSI-JVYYFHACSA-N 0 0 515.609 6.028 50 30 KKEARN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]12 ZINC000245232049 572209515 /nfs/dbraw/zinc/20/95/15/572209515.db2.gz OKUSKPOPDDISCJ-FSUFCWANSA-N 0 0 546.692 6.604 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000245240463 572214105 /nfs/dbraw/zinc/21/41/05/572214105.db2.gz UGAKWIOOXYVLFF-XDZVQPMWSA-N 0 0 542.513 5.083 50 30 KKEARN CCC(C)(C)[C@H]1C/C(=C\c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1 ZINC000245310695 572228880 /nfs/dbraw/zinc/22/88/80/572228880.db2.gz JXEBIDDKSOVEPW-ODAMYASBSA-N 0 0 502.290 8.094 50 30 KKEARN C[C@]1([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CCC(c2ccccc2)(c2ccccc2)O1 ZINC000245391954 572240486 /nfs/dbraw/zinc/24/04/86/572240486.db2.gz OHAANEIIOVTZON-LITYMUBDSA-N 0 0 508.746 8.647 50 30 KKEARN N#C[C@]1(c2cccc(C(F)(F)F)c2)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 ZINC000247644483 572243153 /nfs/dbraw/zinc/24/31/53/572243153.db2.gz JHLFSTDSLSFEIA-MNCAYXDASA-N 0 0 828.350 11.657 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4cc(Cl)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000247942383 572250340 /nfs/dbraw/zinc/25/03/40/572250340.db2.gz VHOGVTWOODQXFF-RTXLYREFSA-N 0 0 554.046 5.228 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248063160 572252898 /nfs/dbraw/zinc/25/28/98/572252898.db2.gz QKQNOFCJKOGRRS-MLSLEFIRSA-N 0 0 600.513 5.847 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3N3[C@H](c4ccc(OCCCCCCCC)cc4)[C@@H]4C(=O)NC(=O)[C@@H]4N23)cc1 ZINC000248240613 572256914 /nfs/dbraw/zinc/25/69/14/572256914.db2.gz DTWSMNPTOKCYFZ-VQEIZDKSSA-N 0 0 658.840 5.776 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)NC(=O)[C@@H]3N3[C@H](c4ccc(OCCCCCCCC)cc4)[C@@H]4C(=O)NC(=O)[C@@H]4N23)cc1 ZINC000248240615 572256916 /nfs/dbraw/zinc/25/69/16/572256916.db2.gz DTWSMNPTOKCYFZ-XLTUSUNSSA-N 0 0 658.840 5.776 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C(C)(C)C)[C@H]1c1ccc(Br)cc1 ZINC000248252709 572257305 /nfs/dbraw/zinc/25/73/05/572257305.db2.gz JPGIDCWZSUFWRB-MTPWMDRRSA-N 0 0 507.428 5.505 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000248262972 572257496 /nfs/dbraw/zinc/25/74/96/572257496.db2.gz XIZUREWRCCOBEC-KWWFCQITSA-N 0 0 602.441 5.690 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C/C=C1/CCC[C@]2(C)C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H]12 ZINC000248274634 572257808 /nfs/dbraw/zinc/25/78/08/572257808.db2.gz RNSFJPLUMBHVCW-FINHQSSBSA-N 0 0 590.761 9.322 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2C)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1C ZINC000248289393 572257812 /nfs/dbraw/zinc/25/78/12/572257812.db2.gz JFLNVJYZFUGLFX-ZQBSIFDSSA-N 0 0 626.580 8.341 50 30 KKEARN CCCCCOc1ccc(/C=C2\C[C@@H](C(C)(C)CC)C/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000249807088 572258868 /nfs/dbraw/zinc/25/88/68/572258868.db2.gz OYLKWRPOLXMHPH-GNHBPRFLSA-N 0 0 516.766 9.707 50 30 KKEARN CCCCCOc1ccc(/C=C2\C[C@H](c3ccccc3)C/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000249946935 572258921 /nfs/dbraw/zinc/25/89/21/572258921.db2.gz ZRYYPSOSGLVFTB-RBJPOHCDSA-N 0 0 522.729 9.438 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC000250825301 572259208 /nfs/dbraw/zinc/25/92/08/572259208.db2.gz NDTYMEWMFVIMBE-AQTFCTACSA-N 0 0 613.789 5.447 50 30 KKEARN O=C1/C(=C/c2ccccc2Br)C[C@@H](c2ccccc2)C/C1=C/c1ccccc1Br ZINC000250807331 572259241 /nfs/dbraw/zinc/25/92/41/572259241.db2.gz IXUPOUZLBBSNJC-PUBUZBAISA-N 0 0 508.253 7.825 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000250796790 572259252 /nfs/dbraw/zinc/25/92/52/572259252.db2.gz BCKTZPLYWGTAPU-APNLASKRSA-N 0 0 512.772 7.661 50 30 KKEARN CC[C@@H]1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000252337710 572260087 /nfs/dbraw/zinc/26/00/87/572260087.db2.gz WAYNACVIGQUKGN-MIHIGZJMSA-N 0 0 514.665 8.701 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000252441272 572260933 /nfs/dbraw/zinc/26/09/33/572260933.db2.gz MTTQTMDNVSINLG-FWEHEUNISA-N 0 0 612.436 5.044 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000252441170 572260946 /nfs/dbraw/zinc/26/09/46/572260946.db2.gz ITPQXIUXRUUBNM-WKAQUBQDSA-N 0 0 612.436 5.044 50 30 KKEARN O=C1c2ccc3c(c2O/C1=C\c1cc(F)c(F)c(F)c1)[C@@H](c1ccccc1Br)CC(=O)O3 ZINC000252496573 572261713 /nfs/dbraw/zinc/26/17/13/572261713.db2.gz PLXLNUNRZGIZMS-NGMPYOPUSA-N 0 0 501.254 5.924 50 30 KKEARN CCCCCCCCNC(=O)[C@@H](C)Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000252549078 572263242 /nfs/dbraw/zinc/26/32/42/572263242.db2.gz QSRQXCRHDWNLLQ-CJFMBICVSA-N 0 0 567.727 5.140 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1ccc(F)cc1 ZINC000252588622 572266392 /nfs/dbraw/zinc/26/63/92/572266392.db2.gz ACZOJDSSONXVNU-GZJKXRRHSA-N 0 0 526.652 7.450 50 30 KKEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000252588525 572266402 /nfs/dbraw/zinc/26/64/02/572266402.db2.gz ACLAJAJYZXPPDG-UHFFFAOYSA-N 0 0 520.681 6.635 50 30 KKEARN Cc1c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000252589095 572266487 /nfs/dbraw/zinc/26/64/87/572266487.db2.gz AGYNVEABFUBIAD-CIAJQKJXSA-N 0 0 509.650 7.684 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000252589339 572266510 /nfs/dbraw/zinc/26/65/10/572266510.db2.gz AJBIDPGWUXFFJB-DRTTXFHGSA-N 0 0 545.664 7.340 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1-c1cccc(Br)c1 ZINC000252592713 572266801 /nfs/dbraw/zinc/26/68/01/572266801.db2.gz BFOQODZTWMDBBL-UHFFFAOYSA-N 0 0 615.325 8.343 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000252593586 572266811 /nfs/dbraw/zinc/26/68/11/572266811.db2.gz BKZOATSNGPEZNG-RSGRQIHDSA-N 0 0 580.507 7.704 50 30 KKEARN CCCCCCOc1ccc(C(CCCCCCCCC(=NO)c2ccc(OCCCCCC)cc2)=NO)cc1 ZINC000252594863 572266861 /nfs/dbraw/zinc/26/68/61/572266861.db2.gz BWAPCYTWDFJIQW-UHFFFAOYSA-N 0 0 552.800 9.782 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000252594369 572266880 /nfs/dbraw/zinc/26/68/80/572266880.db2.gz BSAVBQCSJMZEAN-ULHXHRCFSA-N 0 0 542.151 7.013 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(O)c(OCC)c3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252594633 572266882 /nfs/dbraw/zinc/26/68/82/572266882.db2.gz BUEAKGXNQDLOLY-QBNDNUHPSA-N 0 0 560.628 5.953 50 30 KKEARN O=C(Oc1ccc(C=Nc2ccc3oc(-c4cccc(I)c4)nc3c2)cc1)c1ccccc1Cl ZINC000252596713 572267066 /nfs/dbraw/zinc/26/70/66/572267066.db2.gz CLRXELJNSMUKIG-UHFFFAOYSA-N 0 0 578.793 7.723 50 30 KKEARN CCCN1C(=O)/C(=C\c2cc(OC)c(OCC)cc2Br)SC1=Nc1ccc(OC)cc1 ZINC000252597982 572267167 /nfs/dbraw/zinc/26/71/67/572267167.db2.gz CWWGYBUXWVAMMY-ZKPZWDPRSA-N 0 0 505.434 5.879 50 30 KKEARN Cc1ccccc1OCCOc1ccc(Cl)cc1C=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000252599199 572267271 /nfs/dbraw/zinc/26/72/71/572267271.db2.gz DGUJKWSFMPNLJX-UHFFFAOYSA-N 0 0 521.065 5.543 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1c1ccccc1CC ZINC000252599278 572267278 /nfs/dbraw/zinc/26/72/78/572267278.db2.gz DIBBTWJWQDCQPY-WUYGSQBZSA-N 0 0 537.641 8.097 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(N4Cc5ccccc5C4)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000252600689 572267419 /nfs/dbraw/zinc/26/74/19/572267419.db2.gz DSTJHMIGNCPTDJ-WUYGSQBZSA-N 0 0 509.675 7.152 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000252602477 572267521 /nfs/dbraw/zinc/26/75/21/572267521.db2.gz FIYUVIPDEYPKFP-ZSZBPKCMSA-N 0 0 512.609 6.265 50 30 KKEARN CCOc1ccc(CN=Nc2nc(N=NCc3ccc(OCC)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000252603920 572267645 /nfs/dbraw/zinc/26/76/45/572267645.db2.gz FUPLMNXUFBDODK-UHFFFAOYSA-N 0 0 572.673 7.031 50 30 KKEARN CCOc1cc(C(=O)N=C2SCCN2C(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc(OCC)c1OCC ZINC000252605657 572267759 /nfs/dbraw/zinc/26/77/59/572267759.db2.gz GLIZIVLEZSKMBI-UHFFFAOYSA-N 0 0 574.696 5.464 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cn(Cc4ccccc4F)c4ccc(Br)cc34)C(=O)N2C)cc1 ZINC000252605611 572267782 /nfs/dbraw/zinc/26/77/82/572267782.db2.gz GKPJZEOQIRYDGO-SVNAROOZSA-N 0 0 550.453 6.834 50 30 KKEARN CCCCCOc1ccc(N=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1 ZINC000252607033 572267914 /nfs/dbraw/zinc/26/79/14/572267914.db2.gz GXPZIHQWMRTHSF-UHFFFAOYSA-N 0 0 522.608 7.584 50 30 KKEARN CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N=Cc1c(O)ccc2ccccc21 ZINC000252606662 572267933 /nfs/dbraw/zinc/26/79/33/572267933.db2.gz GUCWSWZENXXPHH-UHFFFAOYSA-N 0 0 528.633 8.416 50 30 KKEARN COc1ccc(C=NN=C2SC(=Nc3ccc(OC)cc3)C(=Nc3ccc(OC)cc3)N2c2ccccc2)cc1 ZINC000252607846 572267953 /nfs/dbraw/zinc/26/79/53/572267953.db2.gz HFKJVTBKDVFKCJ-UHFFFAOYSA-N 0 0 549.656 7.116 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2cc3c(cc2Br)OCO3)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252609344 572268019 /nfs/dbraw/zinc/26/80/19/572268019.db2.gz HRZUZCZWFTVZTL-UHFFFAOYSA-N 0 0 585.463 5.867 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)SC2=Nc2ccccc2)cc1 ZINC000252608579 572268024 /nfs/dbraw/zinc/26/80/24/572268024.db2.gz HLNAFXGNARICQK-SCEGMWQMSA-N 0 0 635.583 8.994 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3cc(O)ccc3Br)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252609510 572268098 /nfs/dbraw/zinc/26/80/98/572268098.db2.gz HTQDMQNHDRYZHC-HSWHWTNLSA-N 0 0 507.453 7.197 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000252608175 572268101 /nfs/dbraw/zinc/26/81/01/572268101.db2.gz HHTHDLHWALVTJV-UHFFFAOYSA-N 0 0 550.063 5.179 50 30 KKEARN Cc1ccc(OCCn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)c(C)c1 ZINC000252608877 572268103 /nfs/dbraw/zinc/26/81/03/572268103.db2.gz HOOIDKRPCXUPRV-UHFFFAOYSA-N 0 0 524.673 5.169 50 30 KKEARN Cc1cc(C)cc(N=C2S/C(=C3/C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000252610538 572268178 /nfs/dbraw/zinc/26/81/78/572268178.db2.gz ICHQISLBUXYGEX-ORCMSOPNSA-N 0 0 502.039 7.013 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(N=Cc4ccc(Cl)cc4Cl)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000252615464 572268565 /nfs/dbraw/zinc/26/85/65/572268565.db2.gz JSPMCMHDTKZPNL-UHFFFAOYSA-N 0 0 582.538 6.882 50 30 KKEARN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c(C)c1 ZINC000252615317 572268568 /nfs/dbraw/zinc/26/85/68/572268568.db2.gz JRCXZSUSJFSBOB-LBURZNFVSA-N 0 0 527.580 6.165 50 30 KKEARN O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)SC(=Nc2ccccc2)N1C1CCCCC1 ZINC000252616427 572268660 /nfs/dbraw/zinc/26/86/60/572268660.db2.gz KAKWPOQFONXHEL-WAFNKUGFSA-N 0 0 553.127 9.009 50 30 KKEARN Cc1ccc(N=C2S/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252615671 572268692 /nfs/dbraw/zinc/26/86/92/572268692.db2.gz JURAWTDBHDVTHP-JIMKRCDISA-N 0 0 529.459 8.135 50 30 KKEARN C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252616981 572268805 /nfs/dbraw/zinc/26/88/05/572268805.db2.gz KJWVBXZHQAYJCP-IGWCTBPUSA-N 0 0 511.672 7.026 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(C)cc3)c(N=C3N=C(c4ccc(C)cc4)C=C3c3ccc(C)cc3)[nH]2)cc1 ZINC000252616784 572268868 /nfs/dbraw/zinc/26/88/68/572268868.db2.gz KFGZYLGWHUAMIC-UHFFFAOYSA-N 0 0 505.665 9.199 50 30 KKEARN O=[N+]([O-])c1ccccc1-c1ccc(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)o1 ZINC000252616895 572268869 /nfs/dbraw/zinc/26/88/69/572268869.db2.gz KHZAPFKLYDGRIF-UHFFFAOYSA-N 0 0 502.510 5.359 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3ccc4sc(C)nc4c3)N(c3ccccc3)C1=O)S2 ZINC000252617676 572269010 /nfs/dbraw/zinc/26/90/10/572269010.db2.gz KYFDKYZHODDYBT-YRYJOBISSA-N 0 0 516.673 6.792 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252617386 572269040 /nfs/dbraw/zinc/26/90/40/572269040.db2.gz KRRNWUYBXKHNLU-YDUKIQQBSA-N 0 0 509.587 7.589 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)ccc1OC(C)=O ZINC000252618156 572269156 /nfs/dbraw/zinc/26/91/56/572269156.db2.gz LEMDFQJSBHQJBH-VJLXJNPLSA-N 0 0 514.647 6.944 50 30 KKEARN 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ZINC000524731456 1069834056 /nfs/dbraw/zinc/83/40/56/1069834056.db2.gz YSHNJWDYQOZVCD-MZSCTZEFSA-N 0 0 565.578 5.744 50 30 KKEARN Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000102942130 1070979827 /nfs/dbraw/zinc/97/98/27/1070979827.db2.gz GUKBSRPXYIZBKX-WCTVFOPTSA-N 0 0 527.627 6.533 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C=C(Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)C[C@@H]1C ZINC000888088727 1071056335 /nfs/dbraw/zinc/05/63/35/1071056335.db2.gz OJLKJYVLORBCQI-LKZCTYKCSA-N 0 0 523.973 5.004 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888089049 1071057961 /nfs/dbraw/zinc/05/79/61/1071057961.db2.gz FDOLKNXDQJCOFQ-YSIWOXGRSA-N 0 0 692.209 6.578 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3nc(-c4ccccn4)n[nH]3)cc2)C[C@@H]1C ZINC000888089820 1071061962 /nfs/dbraw/zinc/06/19/62/1071061962.db2.gz KFFCUMFKMZGPDW-WNNBVUDTSA-N 0 0 557.994 5.123 50 30 KKEARN C#CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)ccc1OC ZINC000888089325 1071059880 /nfs/dbraw/zinc/05/98/80/1071059880.db2.gz VNBIEVQQPFSNIA-HPINIJDYSA-N 0 0 608.043 5.229 50 30 KKEARN CCCCCCCCCCCCCCCCCC[Si](c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000169816576 1071131819 /nfs/dbraw/zinc/13/18/19/1071131819.db2.gz LOGRVQAKFIGTHV-UHFFFAOYSA-N 0 0 566.868 9.836 50 30 KKEARN CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3c(cccc3C(=O)N(CCC(=O)OCC)c3ccccn3)n2C)cc1 ZINC000575399764 1071137738 /nfs/dbraw/zinc/13/77/38/1071137738.db2.gz ICVJGBWLUHMRPV-UHFFFAOYSA-N 0 0 627.746 5.603 50 30 KKEARN COc1ccc(C)cc1N=C1SCC(C)(C)N1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000263627695 1071154570 /nfs/dbraw/zinc/15/45/70/1071154570.db2.gz IVEQVDHBVOLRHX-UHFFFAOYSA-N 0 0 535.691 5.410 50 30 KKEARN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2c(c1)S(=O)(=O)c1cc(/N=C/C=C/c3ccccc3[N+](=O)[O-])ccc1-2 ZINC000110474769 1071157759 /nfs/dbraw/zinc/15/77/59/1071157759.db2.gz NKTAKUSKCIWULH-KNJAUSRMSA-N 0 0 564.579 7.148 50 30 KKEARN CC1C/C(=C\C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C\c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000150541180 1071173343 /nfs/dbraw/zinc/17/33/43/1071173343.db2.gz IOQIPXYTISDBJF-IHYTVUNBSA-N 0 0 704.824 7.582 50 30 KKEARN COc1cc(OC)cc(-c2cc(/C=C\c3ccc(Cl)c(Cl)c3)c(C#N)c3nc4ccccc4n32)c1 ZINC000033557990 1071199300 /nfs/dbraw/zinc/19/93/00/1071199300.db2.gz JKFIOHQLDUKSSZ-CLFYSBASSA-N 0 0 500.385 7.521 50 30 KKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(Br)cc1 ZINC000033907770 1071203365 /nfs/dbraw/zinc/20/33/65/1071203365.db2.gz SAQLNSWYAPSBKZ-ZROIWOOFSA-N 0 0 507.225 7.631 50 30 KKEARN CCCN1C/C(=C\c2cccc(I)c2)C(=O)/C(=C/c2cccc(I)c2)C1 ZINC000059640945 1071230299 /nfs/dbraw/zinc/23/02/99/1071230299.db2.gz DKTXQQWQLLQWDB-XOBNHNQQSA-N 0 0 569.224 5.658 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cc(Br)c(O)c(Br)c2)C[C@H]1C ZINC000604404063 1071268502 /nfs/dbraw/zinc/26/85/02/1071268502.db2.gz AXCBYICCOBUONG-CLTRCRFRSA-N 0 0 587.648 5.507 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000604404112 1071269326 /nfs/dbraw/zinc/26/93/26/1071269326.db2.gz JQFRWMWLOVMLHX-HKBQPEDESA-N 0 0 541.736 7.627 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 ZINC000604405575 1071272725 /nfs/dbraw/zinc/27/27/25/1071272725.db2.gz QXIAXPSPRWIWTN-UHFFFAOYSA-N 0 0 531.737 8.711 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)C[C@H]1C ZINC000604406394 1071273721 /nfs/dbraw/zinc/27/37/21/1071273721.db2.gz WLQLRZOZZRPKJR-MUWSIPGASA-N 0 0 581.408 6.443 50 30 KKEARN C=C(C)COc1ccc([C@@H]2c3c(=O)[nH]n(C(C)C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000824567075 1071282106 /nfs/dbraw/zinc/28/21/06/1071282106.db2.gz IQFPKLGWUCJRJX-XXVJPEFISA-N 0 0 620.102 6.230 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2csc(-c3cccnc3)n2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595859 1071283071 /nfs/dbraw/zinc/28/30/71/1071283071.db2.gz HCSXMTSXDIEWDE-DJMBDIGYSA-N 0 0 720.200 5.858 50 30 KKEARN COc1ccc(CC/N=C(\C)c2c3c(c(O)c(C)c2O)[C@]2(C)C(=Cc4c(c(C)nn4-c4ccccc4)C2=O)O3)cc1 ZINC000824662000 1071284425 /nfs/dbraw/zinc/28/44/25/1071284425.db2.gz XMEHMIFBZRMRAO-RPERFGLASA-N 0 0 549.627 5.848 50 30 KKEARN CC(C)(C)c1cc(Br)cc(/C=N/c2cccc3c(/N=C/c4cc(Br)cc(C(C)(C)C)c4O)cccc23)c1O ZINC000820249418 1071280590 /nfs/dbraw/zinc/28/05/90/1071280590.db2.gz LGUNUESZMDAECP-PKRYOZTKSA-N 0 0 636.428 9.872 50 30 KKEARN COc1ccc2c(c1)[C@H](CCNC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C1=O)C(=O)N2 ZINC000824751045 1071286207 /nfs/dbraw/zinc/28/62/07/1071286207.db2.gz NBOQESPYXLVXRR-QFKTTZQVSA-N 0 0 721.159 5.231 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OCCc5ccc(OC)cc5)c3)CC(=O)O4)C2=O)cc1 ZINC000217951118 1071293702 /nfs/dbraw/zinc/29/37/02/1071293702.db2.gz SDEBCXRUENXZGH-ZOUCTGKASA-N 0 0 548.591 6.383 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OC)c3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)c1OC ZINC000218051501 1071294693 /nfs/dbraw/zinc/29/46/93/1071294693.db2.gz RITLMYZGXMUWKC-ZMIIAFDNSA-N 0 0 620.654 6.326 50 30 biogenic KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000108494686 1071301011 /nfs/dbraw/zinc/30/10/11/1071301011.db2.gz HGMSMNPGKASFRQ-JAVCYFNSSA-N 0 0 542.454 8.593 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C3\c4ccccc4N(Cc4ccccc4)C3=O)c2C(=O)Nc2ccccc2)C1 ZINC000104945331 1071301233 /nfs/dbraw/zinc/30/12/33/1071301233.db2.gz WHKUZFSYBZVSOD-WPVSBMFWSA-N 0 0 547.724 7.819 50 30 KKEARN CN1C/C(=C\C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)C(=O)/C(=C\C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)C1 ZINC000102232603 1071302223 /nfs/dbraw/zinc/30/22/23/1071302223.db2.gz RKPQDJVFNPEMLU-MGEOFLSKSA-N 0 0 615.818 6.281 50 30 KKEARN O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000886005255 1071314774 /nfs/dbraw/zinc/31/47/74/1071314774.db2.gz FUXBCYQCVKTGCT-HFDXGNEISA-N 0 0 501.908 5.068 50 30 KKEARN Cc1cc(C=NN=C2NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(C)cc1C ZINC000886012551 1071315314 /nfs/dbraw/zinc/31/53/14/1071315314.db2.gz HGJKSDWYNOUANB-QHCPKHFHSA-N 0 0 512.651 6.190 50 30 KKEARN Cc1cc(C=NN=C2NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccccc1F ZINC000886014924 1071315343 /nfs/dbraw/zinc/31/53/43/1071315343.db2.gz HEWZFYKWVFREAA-NRFANRHFSA-N 0 0 502.587 5.712 50 30 KKEARN Cc1ccc(NC(=O)CSc2cc(C(=O)/C=C3/N(C)c4ccccc4C3(C)C)c3ccccc3n2)cc1 ZINC000003313731 1071319101 /nfs/dbraw/zinc/31/91/01/1071319101.db2.gz KSUXOVPAMZPGME-MTDXEUNCSA-N 0 0 507.659 6.768 50 30 KKEARN COc1ccc(/C=C2\N=C(SCC(=O)Nc3cccc(C#N)c3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000003334315 1071319307 /nfs/dbraw/zinc/31/93/07/1071319307.db2.gz DYICTFVRFHOBLI-QRVIBDJDSA-N 0 0 533.009 5.344 50 30 KKEARN O=C(/C=C\c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000004552152 1071322178 /nfs/dbraw/zinc/32/21/78/1071322178.db2.gz ALJYKMCZEQCDCE-TWGQIWQCSA-N 0 0 533.334 5.533 50 30 KKEARN N#Cc1ccc(NC(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000103095357 1071334765 /nfs/dbraw/zinc/33/47/65/1071334765.db2.gz VLNPBONXBGNSAQ-GDNBJRDFSA-N 0 0 527.378 5.369 50 30 KKEARN O=C(/C(=C/c1cccc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)c1)C(=O)C(F)(F)F)c1cccs1 ZINC000103452940 1071338264 /nfs/dbraw/zinc/33/82/64/1071338264.db2.gz CUAWVFRONUTUAE-UKVBVZPVSA-N 0 0 542.478 6.605 50 30 KKEARN CCCOc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OCCC)cc3OCCC)C2=O)c(OCCC)c1 ZINC000012569730 1072822866 /nfs/dbraw/zinc/82/28/66/1072822866.db2.gz MZMPLXAETOQSNA-BFNWXZRRSA-N 0 0 521.698 6.823 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000034846867 1072825038 /nfs/dbraw/zinc/82/50/38/1072825038.db2.gz AEOVVXHVJYXUMY-CYYJNZCTSA-N 0 0 515.974 7.449 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945329 1072826479 /nfs/dbraw/zinc/82/64/79/1072826479.db2.gz CPQDPVJJOHREMG-BUVPLSRSSA-N 0 0 518.786 8.058 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](OC(=O)n5cncn5)CC[C@@]43C)[C@]1(C)CC2 ZINC000685945373 1072826926 /nfs/dbraw/zinc/82/69/26/1072826926.db2.gz IMPHZXITLMMEAN-LYLNXFQYSA-N 0 0 579.782 6.641 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCCc1ccccc1OC ZINC000685945382 1072827379 /nfs/dbraw/zinc/82/73/79/1072827379.db2.gz IWMJMXHRNZGALZ-DFIWOENMSA-N 0 0 621.878 8.255 50 30 KKEARN CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)NO)CC[C@]43C)[C@@]2(C)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000685945422 1072827774 /nfs/dbraw/zinc/82/77/74/1072827774.db2.gz NMUSEBIQWBAHHF-QXNXELDTSA-N 0 0 629.835 6.166 50 30 KKEARN O=C1N/C(=N\N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000245264203 1072830308 /nfs/dbraw/zinc/83/03/08/1072830308.db2.gz CAQZOCNXAAMYKV-MUUNZHRXSA-N 0 0 582.701 7.776 50 30 KKEARN CCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(C)c2OS(=O)(=O)c2ccc(Cl)cc2)NC1=O ZINC000245264199 1072830323 /nfs/dbraw/zinc/83/03/23/1072830323.db2.gz BZNDPNCBNAXKON-XMMPIXPASA-N 0 0 564.173 6.868 50 30 KKEARN CCOc1ccc(OCCOc2ccc(/C=C/C(=O)c3ccc4c(c3)NC(=O)CO4)cc2OCC)cc1 ZINC000089991170 1072831683 /nfs/dbraw/zinc/83/16/83/1072831683.db2.gz KTCBEWKUPBLUEJ-LFYBBSHMSA-N 0 0 503.551 5.169 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)CC/C1=C\c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000096022754 1072833667 /nfs/dbraw/zinc/83/36/67/1072833667.db2.gz MYKSZEJXHJKGQR-PKRYOZTKSA-N 0 0 662.882 8.614 50 30 KKEARN CCCCCCC[C@@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(I)cc3)cc2)NC1=O ZINC000252487115 1072834514 /nfs/dbraw/zinc/83/45/14/1072834514.db2.gz ROWDXNDUOUVRSZ-NRFANRHFSA-N 0 0 599.516 5.341 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000097969646 1072836427 /nfs/dbraw/zinc/83/64/27/1072836427.db2.gz XMHUGTWNRKCKEC-XIFFEERXSA-N 0 0 560.823 9.121 50 30 KKEARN CN(C)S(=O)(=O)c1cccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2N=Cc2cccc(F)c2)c1 ZINC000254307440 1072846749 /nfs/dbraw/zinc/84/67/49/1072846749.db2.gz CVNAKAYCSKOQDT-UHFFFAOYSA-N 0 0 556.688 6.388 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=c3sc4ccccc4n3C)=C2N2CCOCC2)cc1 ZINC000254310170 1072847220 /nfs/dbraw/zinc/84/72/20/1072847220.db2.gz LLLZDKIWHIAXBN-BGPRCLPGSA-N 0 0 501.700 5.436 50 30 KKEARN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000254386784 1072850775 /nfs/dbraw/zinc/85/07/75/1072850775.db2.gz MQZVPFILRVNRKF-HOTGVXAUSA-N 0 0 508.497 5.237 50 30 KKEARN CCC(N=Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254398347 1072852598 /nfs/dbraw/zinc/85/25/98/1072852598.db2.gz NTRCMFIFPXUKMK-UHFFFAOYSA-N 0 0 520.514 5.232 50 30 KKEARN FC(F)(F)c1ccc(N2CCOCC2)c(N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000254445494 1072855726 /nfs/dbraw/zinc/85/57/26/1072855726.db2.gz ZQLZXNCCBLCCSL-UHFFFAOYSA-N 0 0 525.574 7.904 50 30 KKEARN COc1ccc(Oc2ccc(C=NN3C(=S)N=NC3Cc3cccc4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000254448670 1072856120 /nfs/dbraw/zinc/85/61/20/1072856120.db2.gz GDXPFZMWUUYJDM-UHFFFAOYSA-N 0 0 511.563 5.902 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N=NC(C)c2ccc3c(c2)Nc2ccccc2S3)c([N+](=O)[O-])c1 ZINC000254451927 1072856492 /nfs/dbraw/zinc/85/64/92/1072856492.db2.gz YFWQOHCKIONUPT-UHFFFAOYSA-N 0 0 511.629 5.670 50 30 KKEARN COc1cc2ccccc2cc1C(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000254480683 1072856817 /nfs/dbraw/zinc/85/68/17/1072856817.db2.gz DSCRHFOQHGPOQR-UHFFFAOYSA-N 0 0 519.342 5.496 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OCc4cccc(C(F)(F)F)c4)c(OC)c3)C(=O)N2CCOC)cc1 ZINC000254487331 1072857940 /nfs/dbraw/zinc/85/79/40/1072857940.db2.gz CZFMHLCRMQTCQV-ZGMUJHOASA-N 0 0 570.633 7.106 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000254491337 1072858544 /nfs/dbraw/zinc/85/85/44/1072858544.db2.gz HZBMCXMOOUICJE-UHFFFAOYSA-N 0 0 544.618 5.756 50 30 KKEARN COc1ccccc1N=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=C1c2ccccc2N(Cc2ccccc2)C1=O ZINC000254523506 1072862139 /nfs/dbraw/zinc/86/21/39/1072862139.db2.gz LHSJRFUVQOSFRB-UHFFFAOYSA-N 0 0 561.623 6.165 50 30 KKEARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2C(=Nc3cc(C)ccc3C)SCC2(C)C)cc1 ZINC000254526176 1072862906 /nfs/dbraw/zinc/86/29/06/1072862906.db2.gz NFMAMBPAKDAFNG-UHFFFAOYSA-N 0 0 537.707 5.792 50 30 KKEARN CCOc1ccc(OCCOc2ccc(/C=C/C(=O)N3C(=Nc4cc(C)ccc4C)SCC3(C)C)cc2OCC)cc1 ZINC000254555400 1072863333 /nfs/dbraw/zinc/86/33/33/1072863333.db2.gz NWEMZMRRRGZMQN-YIIHNZRSSA-N 0 0 588.770 7.614 50 30 KKEARN CCOc1ccc(NS(=O)(=O)c2ccc(N3Cc4ccccc4C3=NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000254612215 1072867339 /nfs/dbraw/zinc/86/73/39/1072867339.db2.gz MWAISMSPTPGBJB-UHFFFAOYSA-N 0 0 625.707 6.002 50 30 KKEARN CCCC(=Nn1c(-c2ccc(-c3ccccc3)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 ZINC000254702127 1072871156 /nfs/dbraw/zinc/87/11/56/1072871156.db2.gz BOPSRWCVYUUFPA-UHFFFAOYSA-N 0 0 583.761 7.966 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=Nc2ccc(OC)cc2)cc1 ZINC000254704522 1072871466 /nfs/dbraw/zinc/87/14/66/1072871466.db2.gz BRDGXXSVEGDSBT-UHFFFAOYSA-N 0 0 586.683 8.385 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3ccc(OC(F)F)cc3)C(=O)N2[C@@H](C)CCc2ccccc2)cc1 ZINC000254741095 1072874518 /nfs/dbraw/zinc/87/45/18/1072874518.db2.gz RGDHBGJIKYYLRO-KVWLSVLBSA-N 0 0 508.590 6.922 50 30 KKEARN COc1ccc(N=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000254758214 1072876927 /nfs/dbraw/zinc/87/69/27/1072876927.db2.gz GFUALCUZRGDQMW-UHFFFAOYSA-N 0 0 560.676 5.490 50 30 KKEARN C(=NNc1nc2ccccc2s1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000254766740 1072878399 /nfs/dbraw/zinc/87/83/99/1072878399.db2.gz QJNLVFSRZGPJAK-RNPORBBMSA-N 0 0 622.732 6.955 50 30 KKEARN C(=NN=c1[nH]c2ccccc2s1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000254766738 1072878487 /nfs/dbraw/zinc/87/84/87/1072878487.db2.gz QJNLVFSRZGPJAK-LOYHVIPDSA-N 0 0 622.732 6.955 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3c(-c4ccccc4)nc4sccn34)=C2N2CCOCC2)cc1 ZINC000254816071 1072880867 /nfs/dbraw/zinc/88/08/67/1072880867.db2.gz AVZLVFUWAAJVCS-PHNARFPKSA-N 0 0 564.759 6.777 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000254825274 1072881818 /nfs/dbraw/zinc/88/18/18/1072881818.db2.gz BUFOJCIZBJZZLE-UHFFFAOYSA-N 0 0 634.499 5.475 50 30 KKEARN CCCCCCOc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=Nc2ccc(OCC)cc2)cc1 ZINC000254849514 1072885099 /nfs/dbraw/zinc/88/50/99/1072885099.db2.gz VLZHCWRTKKKHJL-UHFFFAOYSA-N 0 0 567.677 8.708 50 30 KKEARN COc1ccc(N=C2S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000254875987 1072888349 /nfs/dbraw/zinc/88/83/49/1072888349.db2.gz MSDRXAIYGCYTQH-SSEXGKCCSA-N 0 0 549.696 6.878 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cccc(N=C3C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)c2)cc1 ZINC000254877332 1072888389 /nfs/dbraw/zinc/88/83/89/1072888389.db2.gz GPXVXPDRLPALHB-SSEXGKCCSA-N 0 0 510.615 5.944 50 30 KKEARN Fc1ccc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 ZINC000254898643 1072888761 /nfs/dbraw/zinc/88/87/61/1072888761.db2.gz WIXUKUAHAKMCMC-MHZLTWQESA-N 0 0 563.658 6.917 50 30 KKEARN CC(C)=NOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575451 1072900841 /nfs/dbraw/zinc/90/08/41/1072900841.db2.gz MQBBBFKKMRTFHS-UHFFFAOYSA-N 0 0 519.151 5.935 50 30 KKEARN O=C(N1CCCCC1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576204 1072901140 /nfs/dbraw/zinc/90/11/40/1072901140.db2.gz NAAVGJAQOMZPSW-CBAPKCEASA-N 0 0 563.204 5.872 50 30 KKEARN O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1c1ccc(F)cc1 ZINC000150445938 1072903598 /nfs/dbraw/zinc/90/35/98/1072903598.db2.gz FBNGJCSCUIMSOY-UHFFFAOYSA-N 0 0 630.447 6.977 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cccc(C)c3C)nc(N3CCC(C)CC3)n2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000150481164 1072904913 /nfs/dbraw/zinc/90/49/13/1072904913.db2.gz GFUNSPONBAMDOY-IZYHBKOJSA-N 0 0 650.662 7.642 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000100079443 1072920184 /nfs/dbraw/zinc/92/01/84/1072920184.db2.gz VJNRUQFWKRLMSL-UHFFFAOYSA-N 0 0 529.633 7.525 50 30 KKEARN CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=CC=C(C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000008221218 290682986 /nfs/dbraw/zinc/68/29/86/290682986.db2.gz SJWWTRQNNRNTPU-ABBNZJFMSA-N 0 0 658.920 8.692 50 30 biogenic,in-vitro KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000627222 193857786 /nfs/dbraw/zinc/85/77/86/193857786.db2.gz BCLSTSGIZJSSAG-XMMPIXPASA-N 0 0 510.428 5.805 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000647937 193864504 /nfs/dbraw/zinc/86/45/04/193864504.db2.gz KZLDKIBKTVDFCM-ONOMSOESSA-N 0 0 533.690 6.273 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2F)cc1OC ZINC000000648421 193865352 /nfs/dbraw/zinc/86/53/52/193865352.db2.gz QJNPOUHLRDNJIG-GTYOFVGBSA-N 0 0 541.619 5.990 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650261 193868270 /nfs/dbraw/zinc/86/82/70/193868270.db2.gz XUIZGBAPIGJSPZ-PZGXJGMVSA-N 0 0 545.632 5.338 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000000649216 193866757 /nfs/dbraw/zinc/86/67/57/193866757.db2.gz PDDNTAHRDPMZNX-IVCQMTBJSA-N 0 0 542.426 5.010 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000651912 193869327 /nfs/dbraw/zinc/86/93/27/193869327.db2.gz AUUIYBYETNFGIJ-NGQVCNFZSA-N 0 0 507.586 5.563 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197155 193870497 /nfs/dbraw/zinc/87/04/97/193870497.db2.gz VTHXOXAHYDQKSD-WTYVLRPYSA-N 0 0 505.611 5.416 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4cc(C)cc(CC)c4)c4ccccc34)C2=N)S1 ZINC000059222161 193892166 /nfs/dbraw/zinc/89/21/66/193892166.db2.gz BFBBYYXPOMSRSV-QHOOASBWSA-N 0 0 555.748 7.571 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004067811 291943536 /nfs/dbraw/zinc/94/35/36/291943536.db2.gz WFHOTQAGTMXRSX-FYSMJZIKSA-N 0 0 542.426 5.097 50 30 biogenic,in-vitro KKEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533312 195477513 /nfs/dbraw/zinc/47/75/13/195477513.db2.gz GUYZSCCGONIRKK-BRERZEFASA-N 0 0 578.750 5.523 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000000635402 551506095 /nfs/dbraw/zinc/50/60/95/551506095.db2.gz RHXYNOXOVLTHGL-JOCHJYFZSA-N 0 0 520.607 5.427 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000000638866 551506646 /nfs/dbraw/zinc/50/66/46/551506646.db2.gz FBKLFEBDWKEPJM-WSDLNYQXSA-N 0 0 506.331 5.132 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000000647967 551509088 /nfs/dbraw/zinc/50/90/88/551509088.db2.gz OZZQPRXAVRMNEY-BCHFMIIMSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2Br)cc1OC ZINC000000648025 551509119 /nfs/dbraw/zinc/50/91/19/551509119.db2.gz PEAINFBOUYIZPL-WXTAPIANSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000000648380 551509558 /nfs/dbraw/zinc/50/95/58/551509558.db2.gz LIHMQVYGQWLRBT-KMRXNPHXSA-N 0 0 521.679 5.987 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000000648518 551509974 /nfs/dbraw/zinc/50/99/74/551509974.db2.gz KMQFJGJDSFMVHI-VWLOTQADSA-N 0 0 526.427 5.568 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000648943 551510375 /nfs/dbraw/zinc/51/03/75/551510375.db2.gz JGYWMZDKZHOOJK-CLYVBNDRSA-N 0 0 570.480 5.788 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000648968 551510477 /nfs/dbraw/zinc/51/04/77/551510477.db2.gz WAEHNUKRJZEBLH-JRPXNJEYSA-N 0 0 547.648 5.656 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649197 551510708 /nfs/dbraw/zinc/51/07/08/551510708.db2.gz DBRALEWLKSXVJD-PUAOIOHZSA-N 0 0 572.452 5.018 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000000649343 551510983 /nfs/dbraw/zinc/51/09/83/551510983.db2.gz SUYMSZKXIWLCBM-DEOSSOPVSA-N 0 0 501.501 5.434 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649425 551511232 /nfs/dbraw/zinc/51/12/32/551511232.db2.gz PILXQKFXZCFMMT-VWLOTQADSA-N 0 0 526.427 5.568 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000000649418 551511238 /nfs/dbraw/zinc/51/12/38/551511238.db2.gz DFKQANPMKPDSLF-RUZDIDTESA-N 0 0 513.993 5.844 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649545 551511289 /nfs/dbraw/zinc/51/12/89/551511289.db2.gz RKIAZOCCMCNHML-ADXZGYQBSA-N 0 0 596.518 6.322 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000649979 551511691 /nfs/dbraw/zinc/51/16/91/551511691.db2.gz DAQZOHPYWPPOQG-DJUQAAIZSA-N 0 0 525.601 5.514 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000649985 551511702 /nfs/dbraw/zinc/51/17/02/551511702.db2.gz DAQZOHPYWPPOQG-JHOBJCJYSA-N 0 0 525.601 5.514 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000000650033 551511880 /nfs/dbraw/zinc/51/18/80/551511880.db2.gz JABVDCLSPCPEHU-NYFMKLKXSA-N 0 0 567.682 6.596 50 30 KKEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(C)c(CC)c(C)c1C#N ZINC000000650218 551511910 /nfs/dbraw/zinc/51/19/10/551511910.db2.gz FMMLFGWOWMOPHQ-UHFFFAOYSA-N 0 0 544.471 5.781 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000000650063 551511926 /nfs/dbraw/zinc/51/19/26/551511926.db2.gz KXHDJKXAXSSBFT-DXPJPUQTSA-N 0 0 572.452 5.018 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650257 551512109 /nfs/dbraw/zinc/51/21/09/551512109.db2.gz XUIZGBAPIGJSPZ-MNNSJKJDSA-N 0 0 545.632 5.338 50 30 KKEARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)c1 ZINC000000650840 551512491 /nfs/dbraw/zinc/51/24/91/551512491.db2.gz SPNXGDNATRSLAU-UYAOXDASSA-N 0 0 501.534 5.616 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000651857 551512966 /nfs/dbraw/zinc/51/29/66/551512966.db2.gz NZCWIURWNILULK-MNNSJKJDSA-N 0 0 514.021 6.454 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)c(OC)c1 ZINC000000663812 551516526 /nfs/dbraw/zinc/51/65/26/551516526.db2.gz GKKKXIIETPGJQE-UHFFFAOYSA-N 0 0 573.593 5.350 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccc(Cl)c1 ZINC000000663855 551516557 /nfs/dbraw/zinc/51/65/57/551516557.db2.gz SGFOWDPYCSFQKS-UHFFFAOYSA-N 0 0 535.036 6.968 50 30 KKEARN COC(=O)c1ccc(C)c(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)c2C#N)c1 ZINC000000663845 551516559 /nfs/dbraw/zinc/51/65/59/551516559.db2.gz VNOMUERGDVAGSJ-UHFFFAOYSA-N 0 0 529.496 5.194 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)cc2Cl)cc1Cl ZINC000000665764 551517115 /nfs/dbraw/zinc/51/71/15/551517115.db2.gz XUQXZIRGNXREBN-UHFFFAOYSA-N 0 0 539.459 6.363 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1 ZINC000000665773 551517119 /nfs/dbraw/zinc/51/71/19/551517119.db2.gz ZXJZOZQQAQQYLD-UHFFFAOYSA-N 0 0 505.014 5.709 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000000665743 551517136 /nfs/dbraw/zinc/51/71/36/551517136.db2.gz REDVCCOIXISRDV-UHFFFAOYSA-N 0 0 526.416 6.447 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000000665720 551517188 /nfs/dbraw/zinc/51/71/88/551517188.db2.gz GAUWOKQBBUTHFC-UHFFFAOYSA-N 0 0 521.997 5.803 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(Br)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1 ZINC000000665731 551517192 /nfs/dbraw/zinc/51/71/92/551517192.db2.gz ASDTWWYSSRURCI-UHFFFAOYSA-N 0 0 536.422 5.903 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000000667024 551517973 /nfs/dbraw/zinc/51/79/73/551517973.db2.gz HARPXAFXNFTIHE-UZTOHYMASA-N 0 0 554.481 6.027 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000667031 551517976 /nfs/dbraw/zinc/51/79/76/551517976.db2.gz SWKHBNIKHUSKEA-WVXBCFDCSA-N 0 0 558.074 6.505 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000673598 551520098 /nfs/dbraw/zinc/52/00/98/551520098.db2.gz IPOLLYSFFDMDPJ-VWLOTQADSA-N 0 0 515.528 5.824 50 30 KKEARN C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000673149 551520147 /nfs/dbraw/zinc/52/01/47/551520147.db2.gz SBGRJJUMTGNDIH-UHFFFAOYSA-N 0 0 509.429 5.690 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000000678875 551522680 /nfs/dbraw/zinc/52/26/80/551522680.db2.gz YIKWXTHYJLLVHX-SSOJOUAXSA-N 0 0 526.427 5.391 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000000678738 551522704 /nfs/dbraw/zinc/52/27/04/551522704.db2.gz KOZMYXWYYAGKJH-NGOKVRLYSA-N 0 0 505.611 5.416 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678747 551522720 /nfs/dbraw/zinc/52/27/20/551522720.db2.gz GISNPUPTIGBRPU-ACSYHNTCSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678796 551522726 /nfs/dbraw/zinc/52/27/26/551522726.db2.gz YORZBMDTOACWSG-WRGVRERRSA-N 0 0 547.648 5.568 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Br)c1 ZINC000000678837 551522731 /nfs/dbraw/zinc/52/27/31/551522731.db2.gz CAGHNGXGJJFQLW-BVZFJXPGSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2F)cc1OC ZINC000000679021 551523032 /nfs/dbraw/zinc/52/30/32/551523032.db2.gz CJTQOGZPDZHSPO-VKGTZQKMSA-N 0 0 505.586 5.690 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Br ZINC000000678961 551523096 /nfs/dbraw/zinc/52/30/96/551523096.db2.gz LFDSEDMZGOBEPC-FYSMJZIKSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000679088 551523219 /nfs/dbraw/zinc/52/32/19/551523219.db2.gz CCXNBXWNUQWAJV-LGGPFLRQSA-N 0 0 519.613 6.080 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OC)cc1OC ZINC000000679064 551523254 /nfs/dbraw/zinc/52/32/54/551523254.db2.gz RSPNSLQPABQWON-AFJIDDCJSA-N 0 0 517.622 5.560 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000000682861 551524981 /nfs/dbraw/zinc/52/49/81/551524981.db2.gz NGSBXDCXCIRIMC-HHHXNRCGSA-N 0 0 545.433 6.635 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000000689603 551526979 /nfs/dbraw/zinc/52/69/79/551526979.db2.gz IVDAAGASUPHWJY-XMMPIXPASA-N 0 0 544.570 5.974 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000689785 551527002 /nfs/dbraw/zinc/52/70/02/551527002.db2.gz BCZGPLZVQHPJLZ-ADXZGYQBSA-N 0 0 530.571 5.982 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000000689335 551527033 /nfs/dbraw/zinc/52/70/33/551527033.db2.gz TXKZJMXZBIQFDE-HKBQPEDESA-N 0 0 548.639 6.673 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000690693 551527173 /nfs/dbraw/zinc/52/71/73/551527173.db2.gz RGUSTXFAWRTROG-RXFWQSSRSA-N 0 0 503.524 6.101 50 30 KKEARN Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c1Cc1ccc(Cl)cc1 ZINC000000697997 551528656 /nfs/dbraw/zinc/52/86/56/551528656.db2.gz KVQBNLYKGDYMQN-UHFFFAOYSA-N 0 0 523.040 5.922 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000702740 551529802 /nfs/dbraw/zinc/52/98/02/551529802.db2.gz PLHNTQXRPRUIKY-AREMUKBSSA-N 0 0 544.401 6.400 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000702742 551529814 /nfs/dbraw/zinc/52/98/14/551529814.db2.gz LSHVXYGVMNPRSV-AOYPEHQESA-N 0 0 503.982 5.676 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000000703035 551530209 /nfs/dbraw/zinc/53/02/09/551530209.db2.gz FDOREGMMNLPNNE-AFJIDDCJSA-N 0 0 542.632 5.617 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708077 551532142 /nfs/dbraw/zinc/53/21/42/551532142.db2.gz NKGFUFPEMNDYQE-MYUZEXMDSA-N 0 0 524.013 5.638 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1OC ZINC000000710631 551533041 /nfs/dbraw/zinc/53/30/41/551533041.db2.gz FSFGCZHCPLVEAS-QLXKLKPCSA-N 0 0 505.412 6.446 50 30 KKEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2sc(-c3ccccc3)cc2c1=O ZINC000000710370 551533142 /nfs/dbraw/zinc/53/31/42/551533142.db2.gz XFCVYTIAGLYGMI-UHFFFAOYSA-N 0 0 507.637 5.408 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)OCc2ccccc2)cc1 ZINC000000712329 551533395 /nfs/dbraw/zinc/53/33/95/551533395.db2.gz MEQAUJFSJLGRFL-UHFFFAOYSA-N 0 0 514.618 6.209 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000000717147 551534636 /nfs/dbraw/zinc/53/46/36/551534636.db2.gz JWGCCRBHNDZREE-DWXRJYCRSA-N 0 0 526.942 6.812 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000716693 551534682 /nfs/dbraw/zinc/53/46/82/551534682.db2.gz KWQOLQPLGWSUDU-PRAQEBQASA-N 0 0 514.578 5.617 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000000717689 551534765 /nfs/dbraw/zinc/53/47/65/551534765.db2.gz QWNHNWFLLWBJJZ-ADXZGYQBSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(Br)c2)cc1OC ZINC000000718074 551534976 /nfs/dbraw/zinc/53/49/76/551534976.db2.gz QXFIEMVEGAQGAU-CRYYWNKWSA-N 0 0 523.402 6.585 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000000717740 551535043 /nfs/dbraw/zinc/53/50/43/551535043.db2.gz LJUZQRQBCIVPKN-UPCLLVRISA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccccc2Cl)cc1 ZINC000000718150 551535180 /nfs/dbraw/zinc/53/51/80/551535180.db2.gz VQMQBZHHGLPEHF-UKPGIYTDSA-N 0 0 515.053 7.295 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cccnc3)C2)cc1 ZINC000000718154 551535196 /nfs/dbraw/zinc/53/51/96/551535196.db2.gz MGPZATPNNPHAPT-PVAZPRTOSA-N 0 0 591.664 6.330 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C(F)(F)F)c1 ZINC000000718255 551535223 /nfs/dbraw/zinc/53/52/23/551535223.db2.gz OEDBYRNSMVLIRR-DWXRJYCRSA-N 0 0 526.942 6.812 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1Cl ZINC000000718959 551535743 /nfs/dbraw/zinc/53/57/43/551535743.db2.gz LSACDGVCMKTHFC-UHFFFAOYSA-N 0 0 535.036 6.968 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000000719678 551536092 /nfs/dbraw/zinc/53/60/92/551536092.db2.gz ZDECLTXRBDGWQX-SOKVYYICSA-N 0 0 570.539 6.314 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720347 551536872 /nfs/dbraw/zinc/53/68/72/551536872.db2.gz OVJISNFBOFEAQE-QHCPKHFHSA-N 0 0 536.378 5.336 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720153 551536889 /nfs/dbraw/zinc/53/68/89/551536889.db2.gz DJXXFQVNMAHYHH-QHCPKHFHSA-N 0 0 508.368 5.645 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O ZINC000000723841 551538078 /nfs/dbraw/zinc/53/80/78/551538078.db2.gz FIEUMSCTSYPTNY-UHFFFAOYSA-N 0 0 525.051 6.019 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000000729501 551539441 /nfs/dbraw/zinc/53/94/41/551539441.db2.gz HYGLBOITTUWDHO-JYRCXFKTSA-N 0 0 521.013 6.441 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000000801112 551543382 /nfs/dbraw/zinc/54/33/82/551543382.db2.gz SADVFWXDYIBPGF-XJFCNFDWSA-N 0 0 553.655 5.860 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000801138 551543446 /nfs/dbraw/zinc/54/34/46/551543446.db2.gz GUIXYBMKGOWEGK-JPZYQRIQSA-N 0 0 582.609 5.480 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000822773 551544240 /nfs/dbraw/zinc/54/42/40/551544240.db2.gz CYPVXLXUJIHCOZ-PZGXJGMVSA-N 0 0 501.623 6.028 50 30 KKEARN COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)o1 ZINC000000843762 551547666 /nfs/dbraw/zinc/54/76/66/551547666.db2.gz PWFASBLODPSJDV-UHFFFAOYSA-N 0 0 525.985 6.917 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000000845079 551548045 /nfs/dbraw/zinc/54/80/45/551548045.db2.gz DOWMTURSJLUOBB-GFCCVEGCSA-N 0 0 515.948 6.379 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000000845352 551548907 /nfs/dbraw/zinc/54/89/07/551548907.db2.gz MZXMPOVXRUSPKH-JTQLQIEISA-N 0 0 521.977 6.440 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000000853908 551550200 /nfs/dbraw/zinc/55/02/00/551550200.db2.gz JPJGDYMZWKMZAG-FATZIPQQSA-N 0 0 530.802 5.366 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000000861402 551551501 /nfs/dbraw/zinc/55/15/01/551551501.db2.gz BIWZWPVGLJSJHO-BXKMTCNYSA-N 0 0 512.400 5.001 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000000861401 551551526 /nfs/dbraw/zinc/55/15/26/551551526.db2.gz BIWZWPVGLJSJHO-OSPHWJPCSA-N 0 0 512.400 5.001 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863444 551551869 /nfs/dbraw/zinc/55/18/69/551551869.db2.gz JHSGQGPAPKWLBQ-FYSMJZIKSA-N 0 0 502.394 5.545 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863367 551551894 /nfs/dbraw/zinc/55/18/94/551551894.db2.gz IFDPCQIRWDNVNR-LGGPFLRQSA-N 0 0 546.620 5.850 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863448 551551917 /nfs/dbraw/zinc/55/19/17/551551917.db2.gz AEIZBJYIJQQVEU-LGGPFLRQSA-N 0 0 546.620 5.850 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000000863463 551552014 /nfs/dbraw/zinc/55/20/14/551552014.db2.gz HUOSEOAAZFUXFK-SSOJOUAXSA-N 0 0 530.448 6.324 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000863533 551552391 /nfs/dbraw/zinc/55/23/91/551552391.db2.gz GHKJNHAYEIVGDO-LMKMVOKYSA-N 0 0 516.421 5.935 50 30 KKEARN O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000000868597 551553359 /nfs/dbraw/zinc/55/33/59/551553359.db2.gz KUZHHWYOLKZDSE-LMQTZDNFSA-N 0 0 555.578 5.315 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1C1CCCCC1 ZINC000000949874 551588916 /nfs/dbraw/zinc/58/89/16/551588916.db2.gz BCGQDXSQESNARX-UHFFFAOYSA-N 0 0 502.109 6.252 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000949879 551588924 /nfs/dbraw/zinc/58/89/24/551588924.db2.gz FDDQCGILSFOMCG-UHFFFAOYSA-N 0 0 556.511 5.584 50 30 KKEARN COc1ccccc1[C@@H]1c2c(=O)[nH]c(SCc3ccccc3Cl)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000958605 551589781 /nfs/dbraw/zinc/58/97/81/551589781.db2.gz NJYZNHQRDVGEQS-NRFANRHFSA-N 0 0 508.043 6.337 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c(Br)c3n2)cc1 ZINC000000995779 551594181 /nfs/dbraw/zinc/59/41/81/551594181.db2.gz NYPHIIPLXOLWLP-GFCCVEGCSA-N 0 0 590.425 6.496 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000998518 551595093 /nfs/dbraw/zinc/59/50/93/551595093.db2.gz BHBMABIGFAVFKB-HHHXNRCGSA-N 0 0 519.985 7.061 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000001075083 551604112 /nfs/dbraw/zinc/60/41/12/551604112.db2.gz KNOBFZGFXJONAZ-MRDQGFSESA-N 0 0 555.469 5.067 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000001076958 551604338 /nfs/dbraw/zinc/60/43/38/551604338.db2.gz LMRMTNWBYNPHID-XGCWNURASA-N 0 0 501.539 5.600 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001077318 551604499 /nfs/dbraw/zinc/60/44/99/551604499.db2.gz SAFLHYQXSVLJEQ-DFXYEROKSA-N 0 0 545.632 5.670 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000001077498 551604903 /nfs/dbraw/zinc/60/49/03/551604903.db2.gz DUQYBKAYKUKUEF-ADXZGYQBSA-N 0 0 500.595 6.091 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000001084384 551606203 /nfs/dbraw/zinc/60/62/03/551606203.db2.gz VGISXZFRXPYDRQ-AREMUKBSSA-N 0 0 505.412 6.872 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001082745 551606219 /nfs/dbraw/zinc/60/62/19/551606219.db2.gz AYQMENXVDLFJKG-RKOGDMNLSA-N 0 0 551.437 6.160 50 30 biogenic,in-vitro KKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2cnc3ccccc3n2)nc1 ZINC000001088148 551606610 /nfs/dbraw/zinc/60/66/10/551606610.db2.gz ONYGMHGHIJVWRP-IIMAJNMQSA-N 0 0 501.590 5.334 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)s1 ZINC000001122693 551613308 /nfs/dbraw/zinc/61/33/08/551613308.db2.gz NWBKQIKQKCAXLQ-KEEVHDRGSA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001129799 551615379 /nfs/dbraw/zinc/61/53/79/551615379.db2.gz PETUSRGDYYUVQO-JRPXNJEYSA-N 0 0 551.595 5.808 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001129787 551615392 /nfs/dbraw/zinc/61/53/92/551615392.db2.gz PETUSRGDYYUVQO-IIMAJNMQSA-N 0 0 551.595 5.808 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001129793 551615429 /nfs/dbraw/zinc/61/54/29/551615429.db2.gz PETUSRGDYYUVQO-DFXYEROKSA-N 0 0 551.595 5.808 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000001152227 551619360 /nfs/dbraw/zinc/61/93/60/551619360.db2.gz HVKKHYAFVBLEAO-IQMFZBJNSA-N 0 0 500.364 5.131 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000001168230 551620103 /nfs/dbraw/zinc/62/01/03/551620103.db2.gz VTPVYIFYCAVANL-WTYVLRPYSA-N 0 0 501.424 6.760 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1F ZINC000001191267 551621858 /nfs/dbraw/zinc/62/18/58/551621858.db2.gz HOHXLYVAMZATDO-UHFFFAOYSA-N 0 0 504.598 6.814 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000001202320 551623854 /nfs/dbraw/zinc/62/38/54/551623854.db2.gz UITAWITTWBGPEA-OOWIMERYSA-N 0 0 523.629 5.851 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001213281 551625645 /nfs/dbraw/zinc/62/56/45/551625645.db2.gz UTCUJNYURCINBS-RBJSKKJNSA-N 0 0 501.623 5.592 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000001251408 551632589 /nfs/dbraw/zinc/63/25/89/551632589.db2.gz ZMMCEEQHVPVEIL-GHRAFVERSA-N 0 0 554.687 6.930 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001254332 551632972 /nfs/dbraw/zinc/63/29/72/551632972.db2.gz SNIVXFOXVVZNJO-UZTOHYMASA-N 0 0 523.555 6.589 50 30 KKEARN CCOc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000001261119 551633620 /nfs/dbraw/zinc/63/36/20/551633620.db2.gz JWHPNEHFOAMISW-VKGTZQKMSA-N 0 0 536.550 6.557 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1O ZINC000001264812 551634017 /nfs/dbraw/zinc/63/40/17/551634017.db2.gz VYGWYASXBADRHF-JFLMPSFJSA-N 0 0 577.273 5.622 50 30 KKEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000001283853 551636721 /nfs/dbraw/zinc/63/67/21/551636721.db2.gz XBDDVOMIBMRMRC-QHCPKHFHSA-N 0 0 541.073 5.908 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c[nH]c3ccccc23)[C@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001288015 551636990 /nfs/dbraw/zinc/63/69/90/551636990.db2.gz XFJQFZDJLUIVQA-CVHZQBDDSA-N 0 0 508.456 6.170 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000001301427 551638190 /nfs/dbraw/zinc/63/81/90/551638190.db2.gz ZYWGIEIWAWOAQJ-QXNWPYRLSA-N 0 0 548.664 7.058 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001305798 551638970 /nfs/dbraw/zinc/63/89/70/551638970.db2.gz UQMUARPSQMVOBO-UHFFFAOYSA-N 0 0 528.678 5.544 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001308591 551639651 /nfs/dbraw/zinc/63/96/51/551639651.db2.gz QXIONYISBBJWBJ-XDBZFTIUSA-N 0 0 582.575 6.184 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001411052 551664712 /nfs/dbraw/zinc/66/47/12/551664712.db2.gz VXKXGDIHGBIMAS-HHHXNRCGSA-N 0 0 512.562 5.102 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2Cl)cc1 ZINC000001411032 551664724 /nfs/dbraw/zinc/66/47/24/551664724.db2.gz VOLMEDNLRCGSAA-AREMUKBSSA-N 0 0 500.982 6.041 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413432 551665441 /nfs/dbraw/zinc/66/54/41/551665441.db2.gz ZVZJHMXZIKLGND-SANMLTNESA-N 0 0 561.432 5.856 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001413441 551665835 /nfs/dbraw/zinc/66/58/35/551665835.db2.gz PCBQRDWHZUDGMO-XMMPIXPASA-N 0 0 517.379 5.457 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000001413465 551665884 /nfs/dbraw/zinc/66/58/84/551665884.db2.gz PJOXGDLTUCXJAR-XMMPIXPASA-N 0 0 519.370 5.891 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000001422757 551668796 /nfs/dbraw/zinc/66/87/96/551668796.db2.gz SCAHLAWCZOTXAT-CTUHWIOQSA-N 0 0 539.719 5.964 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000001425562 551669293 /nfs/dbraw/zinc/66/92/93/551669293.db2.gz LTEHNDVSJMKXCI-CTUHWIOQSA-N 0 0 523.651 5.251 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000001431247 551670213 /nfs/dbraw/zinc/67/02/13/551670213.db2.gz PWTDAXFHAJKGCW-PIIWDFAUSA-N 0 0 515.631 5.870 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001431215 551670244 /nfs/dbraw/zinc/67/02/44/551670244.db2.gz IZCWNIKIIAQBDA-IDISGSTGSA-N 0 0 514.603 5.804 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001431226 551670262 /nfs/dbraw/zinc/67/02/62/551670262.db2.gz SQOPMRHBQJJUKC-MNNSJKJDSA-N 0 0 529.658 5.913 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001431232 551670287 /nfs/dbraw/zinc/67/02/87/551670287.db2.gz YTEBPSZIPLMKRH-MMTVBGGISA-N 0 0 529.614 5.590 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1Br ZINC000001434662 551670659 /nfs/dbraw/zinc/67/06/59/551670659.db2.gz QAHWCPRGUUMWLT-VKGTZQKMSA-N 0 0 566.492 6.314 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1Br ZINC000001434660 551670669 /nfs/dbraw/zinc/67/06/69/551670669.db2.gz QAHWCPRGUUMWLT-GDJIYFAZSA-N 0 0 566.492 6.314 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc(Cl)c1O ZINC000001434750 551671014 /nfs/dbraw/zinc/67/10/14/551671014.db2.gz FDLRMEUIOUVSDG-RBSBEOHCSA-N 0 0 535.040 6.831 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cccc(O)c2)cc1 ZINC000001434734 551671039 /nfs/dbraw/zinc/67/10/39/551671039.db2.gz KDNNIPZKTNDNEQ-NFQMXDRXSA-N 0 0 501.604 5.567 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001434728 551671044 /nfs/dbraw/zinc/67/10/44/551671044.db2.gz PJOAFEBZPSBEJN-SXBQZSJRSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc(OC)c1OC ZINC000001437524 551671411 /nfs/dbraw/zinc/67/14/11/551671411.db2.gz SESRSICATWEMRN-QTEAWJPNSA-N 0 0 514.622 6.479 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc(OC)c1OC ZINC000001437526 551671490 /nfs/dbraw/zinc/67/14/90/551671490.db2.gz SESRSICATWEMRN-ADSBAMQRSA-N 0 0 514.622 6.479 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000001438609 551672350 /nfs/dbraw/zinc/67/23/50/551672350.db2.gz ZQUATWQPGUUNKP-PIKZIKFNSA-N 0 0 529.658 5.913 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001439743 551672389 /nfs/dbraw/zinc/67/23/89/551672389.db2.gz HNVAEUKDYVXWSU-LGGPFLRQSA-N 0 0 559.684 5.921 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001451423 551675937 /nfs/dbraw/zinc/67/59/37/551675937.db2.gz RLOXKQHPWLZZQO-AREMUKBSSA-N 0 0 574.655 6.039 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000001451416 551675947 /nfs/dbraw/zinc/67/59/47/551675947.db2.gz RTUGQSZSPYDAJR-DEOSSOPVSA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000001451424 551675981 /nfs/dbraw/zinc/67/59/81/551675981.db2.gz YSVCNPPUYNKYTM-VWLOTQADSA-N 0 0 544.629 6.030 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001453807 551676422 /nfs/dbraw/zinc/67/64/22/551676422.db2.gz KTRGCDSVAHFQKF-YUYWZBKDSA-N 0 0 590.676 6.935 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451970 551676483 /nfs/dbraw/zinc/67/64/83/551676483.db2.gz LZRFEJBBNDASBW-VWLOTQADSA-N 0 0 546.601 5.504 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001456276 551676658 /nfs/dbraw/zinc/67/66/58/551676658.db2.gz ZJKFKMZZGFQGFV-MRDQGFSESA-N 0 0 523.651 5.621 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460738 551677965 /nfs/dbraw/zinc/67/79/65/551677965.db2.gz ISFRBLMCZHDYNQ-KCEHZKJRSA-N 0 0 584.669 5.817 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC[C@H]2CCCO2)cc1OC ZINC000001459839 551678028 /nfs/dbraw/zinc/67/80/28/551678028.db2.gz BUUKWZDNHRKJFA-XHCCPWGMSA-N 0 0 521.683 5.374 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000001460730 551678049 /nfs/dbraw/zinc/67/80/49/551678049.db2.gz TUHWKDDIBPSJSC-WKRVVKTRSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460728 551678057 /nfs/dbraw/zinc/67/80/57/551678057.db2.gz SMSLGUXUJLFQIA-APYJYERMSA-N 0 0 568.670 6.030 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460760 551678233 /nfs/dbraw/zinc/67/82/33/551678233.db2.gz QWHSTXVMUMFHAU-ICACTRECSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2coc3ccccc3c2=O)cc1 ZINC000001460750 551678241 /nfs/dbraw/zinc/67/82/41/551678241.db2.gz CCKPUABLVXWSAB-KTBRYMIGSA-N 0 0 592.648 5.819 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460754 551678246 /nfs/dbraw/zinc/67/82/46/551678246.db2.gz DDWIKRVPFUKKLS-HEIROHQZSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2coc3ccccc3c2=O)cc1 ZINC000001460751 551678249 /nfs/dbraw/zinc/67/82/49/551678249.db2.gz CCKPUABLVXWSAB-GFJKYASSSA-N 0 0 592.648 5.819 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2OC)cc1 ZINC000001460780 551678555 /nfs/dbraw/zinc/67/85/55/551678555.db2.gz ZIUVRWMKOWTJNN-BGOLNKOXSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000001460802 551678580 /nfs/dbraw/zinc/67/85/80/551678580.db2.gz LVSGNFBDCQDLFZ-JPQMRUPTSA-N 0 0 567.686 5.779 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2coc3ccccc3c2=O)cc1OC ZINC000001460817 551678583 /nfs/dbraw/zinc/67/85/83/551678583.db2.gz FIIPHIPVXOLFSN-GHRAFVERSA-N 0 0 576.649 6.119 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460827 551678723 /nfs/dbraw/zinc/67/87/23/551678723.db2.gz QMBCAFAHGQDKKI-BNHRFMORSA-N 0 0 552.671 6.275 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000001460971 551678731 /nfs/dbraw/zinc/67/87/31/551678731.db2.gz GDKQKOOTDWDHKY-JPZYQRIQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460836 551678747 /nfs/dbraw/zinc/67/87/47/551678747.db2.gz REWWWBYYDOTGFX-ROTAYESASA-N 0 0 570.642 5.427 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461071 551679207 /nfs/dbraw/zinc/67/92/07/551679207.db2.gz YUECDQJVSAGNMJ-JIYROHSKSA-N 0 0 568.670 6.117 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000001461091 551679502 /nfs/dbraw/zinc/67/95/02/551679502.db2.gz FFTBUNGMGSGJCN-PRAQEBQASA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000001461095 551679549 /nfs/dbraw/zinc/67/95/49/551679549.db2.gz NADGNSLHBJOUAD-CHJDUVSTSA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001477077 551680893 /nfs/dbraw/zinc/68/08/93/551680893.db2.gz QOCCXORTOXDSBK-LJAQVGFWSA-N 0 0 542.632 5.097 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479909 551681194 /nfs/dbraw/zinc/68/11/94/551681194.db2.gz QWOAAVLAMDNHIC-DEOSSOPVSA-N 0 0 546.601 5.504 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480142 551681509 /nfs/dbraw/zinc/68/15/09/551681509.db2.gz ACKKMNPYNWPJAL-DEOSSOPVSA-N 0 0 532.574 5.114 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479988 551681523 /nfs/dbraw/zinc/68/15/23/551681523.db2.gz SYCKZGKFNVKGBF-XMMPIXPASA-N 0 0 546.601 5.422 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479987 551681624 /nfs/dbraw/zinc/68/16/24/551681624.db2.gz SYCKZGKFNVKGBF-DEOSSOPVSA-N 0 0 546.601 5.422 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001480651 551681820 /nfs/dbraw/zinc/68/18/20/551681820.db2.gz XIEBFLYYRNZLRU-DEOSSOPVSA-N 0 0 528.586 5.491 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480851 551682297 /nfs/dbraw/zinc/68/22/97/551682297.db2.gz QBIDJEZRVNWVCS-XMMPIXPASA-N 0 0 546.601 5.504 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001482272 551682618 /nfs/dbraw/zinc/68/26/18/551682618.db2.gz KQRBFQFXLVSKEA-XMMPIXPASA-N 0 0 530.602 5.804 50 30 KKEARN CCOc1ccc(N2C(=O)C(OC)=C(C(=O)c3ccccc3)[C@@]2(Nc2cccc(C(F)(F)F)c2)C(=O)OC)cc1 ZINC000001758709 551694046 /nfs/dbraw/zinc/69/40/46/551694046.db2.gz CWIHZFICQZFICC-NDEPHWFRSA-N 0 0 554.521 5.216 50 30 KKEARN CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000001770574 551695994 /nfs/dbraw/zinc/69/59/94/551695994.db2.gz DUYKROBEOXEDBE-QUPMIFSKSA-N 0 0 516.841 7.001 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000001772337 551696739 /nfs/dbraw/zinc/69/67/39/551696739.db2.gz DANVOULHGZAWHD-UHFFFAOYSA-N 0 0 524.111 6.559 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@H](c1ccccc1)S[C@@H]2c1ccccc1 ZINC000001789405 551701317 /nfs/dbraw/zinc/70/13/17/551701317.db2.gz PNONWGURJCLFLL-DNQXCXABSA-N 0 0 511.697 6.867 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000001796593 551702915 /nfs/dbraw/zinc/70/29/15/551702915.db2.gz PQOHYOSSHHMYLP-LJAQVGFWSA-N 0 0 570.539 5.116 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000001800407 551703503 /nfs/dbraw/zinc/70/35/03/551703503.db2.gz IPDHKJJAMDVSNG-UHFFFAOYSA-N 0 0 557.075 6.964 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1ccccc1 ZINC000001811291 551706251 /nfs/dbraw/zinc/70/62/51/551706251.db2.gz OMCWGJDHEIXMEC-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN CCOc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000001822315 551708927 /nfs/dbraw/zinc/70/89/27/551708927.db2.gz GPYAWOAEVUANDS-OFHHYUCBSA-N 0 0 512.653 8.124 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)NC(c1ccccc1)c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000001831964 551711693 /nfs/dbraw/zinc/71/16/93/551711693.db2.gz SBCPDMQXDPKRJI-UHFFFAOYSA-N 0 0 561.751 6.852 50 30 KKEARN COc1cccc(CN2C(=O)[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000001860572 551717099 /nfs/dbraw/zinc/71/70/99/551717099.db2.gz GURWYJPSCHHKSI-MUUNZHRXSA-N 0 0 550.618 5.467 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000001864881 551717740 /nfs/dbraw/zinc/71/77/40/551717740.db2.gz RTWCOTOMJPDXRE-YFYZNPQRSA-N 0 0 596.506 8.187 50 30 KKEARN 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C=C(C)Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001876445 551722670 /nfs/dbraw/zinc/72/26/70/551722670.db2.gz AOSPSCWVYDOODG-UHFFFAOYSA-N 0 0 575.778 7.242 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000001882201 551724426 /nfs/dbraw/zinc/72/44/26/551724426.db2.gz BXWAYIOYWLUVCI-LNZWSYKSSA-N 0 0 535.684 7.381 50 30 KKEARN Brc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(Br)c4)cc3)cc2)c1 ZINC000001883099 551724632 /nfs/dbraw/zinc/72/46/32/551724632.db2.gz VCWMABGFKIROEZ-YAGSLNJISA-N 0 0 534.251 8.505 50 30 KKEARN COc1cc(CN2C(=O)[C@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1 ZINC000001890744 551726533 /nfs/dbraw/zinc/72/65/33/551726533.db2.gz RCKVQCOBWJEBPB-LJAQVGFWSA-N 0 0 574.596 5.208 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)n1-c1ccccc1)CCC4)CCC2 ZINC000001895892 551727763 /nfs/dbraw/zinc/72/77/63/551727763.db2.gz ZSPMUFLXCIJIRD-UHFFFAOYSA-N 0 0 504.662 5.089 50 30 KKEARN 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COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Br)cc2)c1C#N ZINC000002072518 551747853 /nfs/dbraw/zinc/74/78/53/551747853.db2.gz VAAUFEMFWZVSQA-UHFFFAOYSA-N 0 0 530.447 6.789 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000002073140 551748112 /nfs/dbraw/zinc/74/81/12/551748112.db2.gz VWOVEIWWJILSNB-UHFFFAOYSA-N 0 0 515.638 7.570 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000002073992 551748514 /nfs/dbraw/zinc/74/85/14/551748514.db2.gz UKQYDJKESNUENW-NGOKVRLYSA-N 0 0 505.611 5.417 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccc(Cl)cc3)n1-c1ccccc1)CCCC2 ZINC000002074016 551748535 /nfs/dbraw/zinc/74/85/35/551748535.db2.gz IYJVJFBYNRWBEJ-UHFFFAOYSA-N 0 0 506.056 6.130 50 30 KKEARN CC(C)N1C(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)OC12OC(C(C)(C)C)=C(C(=O)C(C)(C)C)C(=O)N2C(C)C ZINC000002077754 551750380 /nfs/dbraw/zinc/75/03/80/551750380.db2.gz VVFSZWUHZLWQLO-UHFFFAOYSA-N 0 0 546.749 5.963 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)sc2C1 ZINC000002081665 551751690 /nfs/dbraw/zinc/75/16/90/551751690.db2.gz XHBNNYRABUEIPS-GOSISDBHSA-N 0 0 514.094 8.282 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000002083451 551752921 /nfs/dbraw/zinc/75/29/21/551752921.db2.gz IFLUYLGYCMAMIV-UHFFFAOYSA-N 0 0 599.734 6.489 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000002083444 551752931 /nfs/dbraw/zinc/75/29/31/551752931.db2.gz OTOSCCCLGJAKTN-UHFFFAOYSA-N 0 0 561.607 6.078 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000002084948 551754926 /nfs/dbraw/zinc/75/49/26/551754926.db2.gz VXJMLEZGHHAIFB-BRKSMKGBSA-N 0 0 502.039 7.013 50 30 KKEARN CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000002084942 551754927 /nfs/dbraw/zinc/75/49/27/551754927.db2.gz DQGILTHASUJGTL-PLUIPBISSA-N 0 0 535.507 7.890 50 30 KKEARN C=CCc1cccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2OCc2ccccc2)c1O ZINC000002085858 551755712 /nfs/dbraw/zinc/75/57/12/551755712.db2.gz VIFOJSFDKUFOPL-LJAQVGFWSA-N 0 0 584.470 6.374 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002087776 551757314 /nfs/dbraw/zinc/75/73/14/551757314.db2.gz VGNWCROYEMQSQR-UHFFFAOYSA-N 0 0 565.742 6.077 50 30 KKEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000002093679 551759961 /nfs/dbraw/zinc/75/99/61/551759961.db2.gz QYIOCGJADOUJLE-UHFFFAOYSA-N 0 0 551.974 5.109 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3/c4cc(C)ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000002094445 551760473 /nfs/dbraw/zinc/76/04/73/551760473.db2.gz OLLPEKCCZCDMGL-PRPQHQTQSA-N 0 0 569.639 5.504 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Oc3nc(SCCCC)nnc3-c3ccccc3N2C(C)=O)cc1OCC ZINC000002094672 551760656 /nfs/dbraw/zinc/76/06/56/551760656.db2.gz HTSDKVRXUFGLLD-AREMUKBSSA-N 0 0 585.524 6.601 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000002100620 551762271 /nfs/dbraw/zinc/76/22/71/551762271.db2.gz NEGXNCGHTQPBSP-RUZDIDTESA-N 0 0 558.553 6.360 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002105865 551763564 /nfs/dbraw/zinc/76/35/64/551763564.db2.gz VAKGZOPRLWUQQB-AREMUKBSSA-N 0 0 588.926 6.857 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000002105976 551763721 /nfs/dbraw/zinc/76/37/21/551763721.db2.gz ZMMBVPJGNLIJHD-SANMLTNESA-N 0 0 510.030 6.095 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1 ZINC000002106104 551763955 /nfs/dbraw/zinc/76/39/55/551763955.db2.gz PHMNXYQNYZNWDC-KRWDZBQOSA-N 0 0 519.621 7.060 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2scc(-c3ccco3)c2c1=O ZINC000002106456 551764075 /nfs/dbraw/zinc/76/40/75/551764075.db2.gz LYTMJADSTVXXND-UHFFFAOYSA-N 0 0 569.730 6.142 50 30 KKEARN C=CCn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002106605 551764404 /nfs/dbraw/zinc/76/44/04/551764404.db2.gz QAOXKKJJMRSFHW-OXJNMPFZSA-N 0 0 542.126 5.736 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002106717 551764480 /nfs/dbraw/zinc/76/44/80/551764480.db2.gz LPAQFSOXTNRGTO-MRXNPFEDSA-N 0 0 571.790 6.007 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c(C#N)c1-c1ccccc1 ZINC000002108104 551765140 /nfs/dbraw/zinc/76/51/40/551765140.db2.gz WZQJVWJZTKHNQD-UHFFFAOYSA-N 0 0 501.655 8.261 50 30 KKEARN CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108113 551765163 /nfs/dbraw/zinc/76/51/63/551765163.db2.gz PLUHTJKUYFVISI-FQEVSTJZSA-N 0 0 529.709 9.193 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)c(C#N)c1-c1ccccc1 ZINC000002108289 551765421 /nfs/dbraw/zinc/76/54/21/551765421.db2.gz KFONVPUONVHKAX-UHFFFAOYSA-N 0 0 517.654 8.098 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(Cl)cc4Cl)c3C#N)c3ccccc3n2)c1 ZINC000002108376 551765716 /nfs/dbraw/zinc/76/57/16/551765716.db2.gz QPJAOHWWEGZGSA-UHFFFAOYSA-N 0 0 586.544 9.548 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002108433 551765805 /nfs/dbraw/zinc/76/58/05/551765805.db2.gz WVVZFWLOQZMFHZ-RUZDIDTESA-N 0 0 529.555 6.070 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002108428 551765814 /nfs/dbraw/zinc/76/58/14/551765814.db2.gz JWEZIWWBHCXQCX-AREMUKBSSA-N 0 0 543.582 6.460 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000002108679 551766193 /nfs/dbraw/zinc/76/61/93/551766193.db2.gz NAAMGPQBKPTQHD-HSZRJFAPSA-N 0 0 529.992 5.557 50 30 KKEARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)F)c4)c3n2)cc1 ZINC000002108725 551766225 /nfs/dbraw/zinc/76/62/25/551766225.db2.gz RLNQEXLPVWDSLT-UHFFFAOYSA-N 0 0 590.427 6.477 50 30 KKEARN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002110142 551766932 /nfs/dbraw/zinc/76/69/32/551766932.db2.gz LWBCMFDNOMKSLN-UHFFFAOYSA-N 0 0 592.418 6.807 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)cc(OCC)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002113699 551768718 /nfs/dbraw/zinc/76/87/18/551768718.db2.gz NKWHNKNILKVLQQ-DEOSSOPVSA-N 0 0 571.453 5.347 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c(OCC)c(OC)c1)N(C(=O)CC)c1ccccc1-2 ZINC000002114392 551769018 /nfs/dbraw/zinc/76/90/18/551769018.db2.gz WOZCVMSXJSCZGZ-XMMPIXPASA-N 0 0 557.470 5.821 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1cccs1 ZINC000002139207 551774375 /nfs/dbraw/zinc/77/43/75/551774375.db2.gz YEDBFYWFGLSISY-FBRKSOCZSA-N 0 0 563.660 5.129 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Cl)cc(Cl)c2OC)C1=O ZINC000002142921 551775312 /nfs/dbraw/zinc/77/53/12/551775312.db2.gz IOUUABCZKIYQFG-XDHOZWIPSA-N 0 0 534.461 6.161 50 30 KKEARN N#CC(c1ccccc1)(c1ccccc1)C1(C(C#N)(c2ccccc2)c2ccccc2)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000002145225 551776031 /nfs/dbraw/zinc/77/60/31/551776031.db2.gz SGBKFRBNEAYBFA-UUWRZZSWSA-N 0 0 564.710 7.239 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151424 551778357 /nfs/dbraw/zinc/77/83/57/551778357.db2.gz IEPQTHMLDBUDKU-SANMLTNESA-N 0 0 543.461 6.430 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccc(C)c(Cl)c3)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000002151123 551778375 /nfs/dbraw/zinc/77/83/75/551778375.db2.gz HHCIONUDGATRSZ-NDEPHWFRSA-N 0 0 525.092 7.565 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151339 551778417 /nfs/dbraw/zinc/77/84/17/551778417.db2.gz BZYMYFFDJKCDLO-RUZDIDTESA-N 0 0 513.435 6.422 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151501 551778535 /nfs/dbraw/zinc/77/85/35/551778535.db2.gz BBQSYFGYQABMLG-MHZLTWQESA-N 0 0 573.487 6.439 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151460 551778559 /nfs/dbraw/zinc/77/85/59/551778559.db2.gz OTBYEGHZHOESTI-MUUNZHRXSA-N 0 0 522.645 6.312 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151975 551778805 /nfs/dbraw/zinc/77/88/05/551778805.db2.gz WPDMDFPSSZSVOL-MHZLTWQESA-N 0 0 592.614 6.704 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3cccc(Br)c3)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152090 551778982 /nfs/dbraw/zinc/77/89/82/551778982.db2.gz GCFGKKOKZKXNDO-HHHXNRCGSA-N 0 0 585.498 6.786 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1c1cccc(Br)c1 ZINC000002152081 551778995 /nfs/dbraw/zinc/77/89/95/551778995.db2.gz JVLFKDYVIKVQJH-DEOSSOPVSA-N 0 0 578.304 6.876 50 30 KKEARN CSc1sc(-c2ccnc(SCCS(=O)(=O)c3ccccc3)n2)c(-c2ccccc2)c1C#N ZINC000002154174 551779352 /nfs/dbraw/zinc/77/93/52/551779352.db2.gz YKXAWDDUWJBDKV-UHFFFAOYSA-N 0 0 509.703 6.032 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(Br)cc2)nsc1SCC(=O)c1ccc(Br)cc1 ZINC000002163353 551781415 /nfs/dbraw/zinc/78/14/15/551781415.db2.gz GADCHCRRULADMF-UHFFFAOYSA-N 0 0 568.337 6.490 50 30 KKEARN CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1 ZINC000002171870 551782535 /nfs/dbraw/zinc/78/25/35/551782535.db2.gz JVNFMUVUGKGXAZ-WXGDAXOSSA-N 0 0 508.687 8.267 50 30 KKEARN Fc1ccc(/C=N/c2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1Oc1ccccc1 ZINC000002173264 551782546 /nfs/dbraw/zinc/78/25/46/551782546.db2.gz CAOADUHWVXTZOV-ZCTHSVRISA-N 0 0 512.382 7.984 50 30 KKEARN CCc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cc(Br)ccc3O)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002177812 551783738 /nfs/dbraw/zinc/78/37/38/551783738.db2.gz DLSTXIBXVJWWPA-UHFFFAOYSA-N 0 0 548.521 7.607 50 30 KKEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1 ZINC000002178029 551784296 /nfs/dbraw/zinc/78/42/96/551784296.db2.gz NLMNWIKIGWOPRO-UHFFFAOYSA-N 0 0 503.554 6.292 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000002183955 551786101 /nfs/dbraw/zinc/78/61/01/551786101.db2.gz AULTZEFZAVPABU-CXABMRDKSA-N 0 0 574.706 5.332 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000002185684 551786787 /nfs/dbraw/zinc/78/67/87/551786787.db2.gz KBCFUUIYAJMKDO-SONOPUAISA-N 0 0 594.502 6.424 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc3ccccc32)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002185614 551786793 /nfs/dbraw/zinc/78/67/93/551786793.db2.gz HFHMYRFRZFFCDD-RCRUUEGKSA-N 0 0 512.049 7.341 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc3ccccc32)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002185616 551786794 /nfs/dbraw/zinc/78/67/94/551786794.db2.gz HFHMYRFRZFFCDD-CHJDUVSTSA-N 0 0 512.049 7.341 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000002185701 551786917 /nfs/dbraw/zinc/78/69/17/551786917.db2.gz RWNUFVKNXWQDJH-DFBJGRDBSA-N 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Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C/c4ccc(Br)cc4)cc3s2)c(C)c1 ZINC000003095141 552287168 /nfs/dbraw/zinc/28/71/68/552287168.db2.gz RWDZDIVXLFFCSA-BFWPAWLWSA-N 0 0 538.536 7.854 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000003097188 552287407 /nfs/dbraw/zinc/28/74/07/552287407.db2.gz GXZMROYQTIMZLN-UHFFFAOYSA-N 0 0 528.058 8.331 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1 ZINC000003097192 552287439 /nfs/dbraw/zinc/28/74/39/552287439.db2.gz MFCQTMWUGQTBKK-IPPBACCNSA-N 0 0 528.530 8.209 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098527 552287938 /nfs/dbraw/zinc/28/79/38/552287938.db2.gz XLNXCJZJONTJBK-GDJIYFAZSA-N 0 0 564.476 6.415 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000003104294 552288699 /nfs/dbraw/zinc/28/86/99/552288699.db2.gz KIZCCWUTDPEUTI-UHFFFAOYSA-N 0 0 520.836 6.688 50 30 KKEARN 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KKEARN CCCCOc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4c(F)cccc4Cl)cc3s2)cc1 ZINC000003666126 552409003 /nfs/dbraw/zinc/40/90/03/552409003.db2.gz QZGJEGLWIYAVAT-WKULSOCRSA-N 0 0 528.074 7.749 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C ZINC000003770948 552416264 /nfs/dbraw/zinc/41/62/64/552416264.db2.gz OTQILAZNYHDURK-RNWIMVQKSA-N 0 0 513.638 7.469 50 30 KKEARN C=C(C)Cn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000003771699 552416938 /nfs/dbraw/zinc/41/69/38/552416938.db2.gz AVJVVWSNMRLXRV-SANMLTNESA-N 0 0 575.778 8.090 50 30 KKEARN Cc1cc(CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1 ZINC000003924338 552422602 /nfs/dbraw/zinc/42/26/02/552422602.db2.gz JJHRUUKMPWUYIB-HVOSOHGQSA-N 0 0 557.735 5.905 50 30 in-vivo KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000003979820 552424441 /nfs/dbraw/zinc/42/44/41/552424441.db2.gz WJPPKXJNCVILBN-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOCCOCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000004015244 552426513 /nfs/dbraw/zinc/42/65/13/552426513.db2.gz GBOGNXKJCQTTSY-IENBMRAWSA-N 0 0 598.612 6.495 50 30 KKEARN CCN(CC)c1nc(N=NCc2cc(Br)cc(Br)c2OC)nc(Nc2cc(C)ccc2C)n1 ZINC000004017862 552428878 /nfs/dbraw/zinc/42/88/78/552428878.db2.gz YGCLIMLYAJQDDC-LGJNPRDNSA-N 0 0 577.325 6.058 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3c(c2)S(=O)(=O)c2cc(/N=C/c4ccc(OC(=O)c5ccc(F)cc5)cc4)ccc2-3)cc1)c1ccc(F)cc1 ZINC000004018604 552429780 /nfs/dbraw/zinc/42/97/80/552429780.db2.gz UMHDLVQPZOQHRU-ADHDEERNSA-N 0 0 698.703 8.718 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1 ZINC000004044887 552430535 /nfs/dbraw/zinc/43/05/35/552430535.db2.gz MZWGTDARIBYOMD-HKBQPEDESA-N 0 0 649.956 8.995 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1CN=Nc1nc(NCc2ccco2)nc(Nc2ccc(OC)cc2)n1 ZINC000004044872 552430569 /nfs/dbraw/zinc/43/05/69/552430569.db2.gz OBDXKENLFRDYFA-IPPBACCNSA-N 0 0 629.313 6.365 50 30 KKEARN Fc1ccc(Nc2nc(N=NCc3cn(Cc4ccc(Cl)cc4)c4ccccc34)nc(N3CCCCC3)n2)cc1 ZINC000004044975 552430609 /nfs/dbraw/zinc/43/06/09/552430609.db2.gz JSNXRPBDQAFYJL-DPNNOFEESA-N 0 0 555.061 6.847 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000004046063 552430890 /nfs/dbraw/zinc/43/08/90/552430890.db2.gz LFGLALNIFBTZBB-JGCGQSQUSA-N 0 0 545.595 7.730 50 30 KKEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc(Br)cc1 ZINC000004047766 552431431 /nfs/dbraw/zinc/43/14/31/552431431.db2.gz YWSUSALIVBZKDP-YSURURNPSA-N 0 0 536.180 5.548 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000004047169 552431433 /nfs/dbraw/zinc/43/14/33/552431433.db2.gz HJCDAFWYLHCSGR-RBBQXQBVSA-N 0 0 502.614 7.254 50 30 KKEARN COc1ccc(Br)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000004048134 552431599 /nfs/dbraw/zinc/43/15/99/552431599.db2.gz GJVIAGAUPRGYFR-AKJBCIBTSA-N 0 0 509.831 7.091 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004048231 552431613 /nfs/dbraw/zinc/43/16/13/552431613.db2.gz AUUWJWBPKMUJBH-HEIROHQZSA-N 0 0 507.033 7.899 50 30 KKEARN COc1ccc(Br)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004048132 552431620 /nfs/dbraw/zinc/43/16/20/552431620.db2.gz GJVIAGAUPRGYFR-YHAMSUFESA-N 0 0 509.831 7.091 50 30 KKEARN CNc1nc(N=NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1 ZINC000004064577 552431863 /nfs/dbraw/zinc/43/18/63/552431863.db2.gz JXBBRTQTQFVQAM-VFLNYLIXSA-N 0 0 573.282 6.751 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000004064398 552431937 /nfs/dbraw/zinc/43/19/37/552431937.db2.gz ZWDJBEVMVWMRJZ-SOKVYYICSA-N 0 0 505.412 6.446 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000004067211 552432627 /nfs/dbraw/zinc/43/26/27/552432627.db2.gz RAMCUYJHJZKSFT-DEOSSOPVSA-N 0 0 526.427 5.307 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067340 552432633 /nfs/dbraw/zinc/43/26/33/552432633.db2.gz ZFCRXQZAVCZOCI-HSZRJFAPSA-N 0 0 532.475 6.033 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067248 552432674 /nfs/dbraw/zinc/43/26/74/552432674.db2.gz LQJYTRZVKSKKGJ-RUZDIDTESA-N 0 0 554.481 5.943 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067570 552432993 /nfs/dbraw/zinc/43/29/93/552432993.db2.gz RSJRVPDBZHQCFT-WTYVLRPYSA-N 0 0 580.519 6.791 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004067923 552433176 /nfs/dbraw/zinc/43/31/76/552433176.db2.gz KMYVNIRAPYPYIF-XFZFQEMNSA-N 0 0 508.058 6.832 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000004067942 552433178 /nfs/dbraw/zinc/43/31/78/552433178.db2.gz AABDQTZCKRRKBI-KMRXNPHXSA-N 0 0 524.057 6.308 50 30 KKEARN O=C1C[C@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004080478 552433288 /nfs/dbraw/zinc/43/32/88/552433288.db2.gz MPBMMLRCOQIGOS-NHRFMIRVSA-N 0 0 516.597 6.974 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004077846 552433351 /nfs/dbraw/zinc/43/33/51/552433351.db2.gz USFZCJNMTIVBHL-DXPJPUQTSA-N 0 0 539.857 7.186 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068294 552433397 /nfs/dbraw/zinc/43/33/97/552433397.db2.gz ZUBNLMZFJLOBGU-CCLHPLFOSA-N 0 0 542.097 6.102 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Oc3ccccc3)c2)cc1OC ZINC000004081689 552433608 /nfs/dbraw/zinc/43/36/08/552433608.db2.gz IWMJWWNRHGYHOW-FLASPHMUSA-N 0 0 518.613 7.476 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000004082361 552433832 /nfs/dbraw/zinc/43/38/32/552433832.db2.gz GIVPXDGYYQXAEC-PBUKZNKTSA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004082344 552433859 /nfs/dbraw/zinc/43/38/59/552433859.db2.gz BSHFYTWAZOXKIQ-XKWLHOGNSA-N 0 0 562.666 7.271 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000004083645 552434174 /nfs/dbraw/zinc/43/41/74/552434174.db2.gz ALCGKBUQGAOIMO-MYUZEXMDSA-N 0 0 510.512 6.582 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004089382 552434673 /nfs/dbraw/zinc/43/46/73/552434673.db2.gz ZCWRXLVLCGOWTD-GROPNIIDSA-N 0 0 514.720 6.750 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)c(C)c1 ZINC000004091121 552435204 /nfs/dbraw/zinc/43/52/04/552435204.db2.gz MINYBRXPCUFNIQ-NPGLLJSBSA-N 0 0 506.096 7.174 50 30 KKEARN CCC(C)(C)c1ccc(OCCCC/N=C2/S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)c(C(C)(C)CC)c1 ZINC000004091159 552435396 /nfs/dbraw/zinc/43/53/96/552435396.db2.gz MGJKLPSXHWGOSG-DTJHSLTHSA-N 0 0 690.419 10.460 50 30 KKEARN N=C(NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004091626 552435707 /nfs/dbraw/zinc/43/57/07/552435707.db2.gz OQSIIXUTGDYVET-UHFFFAOYSA-N 0 0 528.179 6.780 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)S/C2=N\c2ccccc2)cc1 ZINC000004108778 552437401 /nfs/dbraw/zinc/43/74/01/552437401.db2.gz HKWPUTCUTOMIPC-NWNLVCTKSA-N 0 0 514.050 7.252 50 30 KKEARN CCC(C)(C)c1ccc(OCCCC/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2C2CCCCC2)c(C(C)(C)CC)c1 ZINC000004109236 552437695 /nfs/dbraw/zinc/43/76/95/552437695.db2.gz MJQDFJBHHXMCMS-ATLUGDRZSA-N 0 0 663.994 9.905 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000004111809 552438196 /nfs/dbraw/zinc/43/81/96/552438196.db2.gz QNVFHGUPXPJLHQ-DWACAAAGSA-N 0 0 503.595 5.324 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1OC ZINC000004112883 552438422 /nfs/dbraw/zinc/43/84/22/552438422.db2.gz XVILIZUBPRVBOF-YNCULORESA-N 0 0 533.665 6.196 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCN(C(=O)CC)CC3)cc2)c1O ZINC000004121781 552439411 /nfs/dbraw/zinc/43/94/11/552439411.db2.gz BQKHMAFDDULXRC-AFUMVMLFSA-N 0 0 539.268 5.125 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)C2=C(CCCC2=O)N1 ZINC000004391406 552458462 /nfs/dbraw/zinc/45/84/62/552458462.db2.gz XXMAWGCNAXTKSW-RUZDIDTESA-N 0 0 583.280 6.473 50 30 KKEARN CS(=O)(=O)C1=C(O/C(=N/C2CCCCC2)NC2CCCCC2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000004447529 552461307 /nfs/dbraw/zinc/46/13/07/552461307.db2.gz VWTMHRWKWQUPRU-SANMLTNESA-N 0 0 535.710 5.658 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)cc1)OCO2 ZINC000004469339 552461650 /nfs/dbraw/zinc/46/16/50/552461650.db2.gz CZMAVSZIMFXCTH-HZUVFDMRSA-N 0 0 538.472 6.129 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004531501 552463367 /nfs/dbraw/zinc/46/33/67/552463367.db2.gz XNUIOMJMFRIAHR-WXNYECDESA-N 0 0 529.636 6.418 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004531496 552463421 /nfs/dbraw/zinc/46/34/21/552463421.db2.gz CPICIMAOYNHTNT-RSORRPJOSA-N 0 0 667.416 9.031 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000004531500 552463431 /nfs/dbraw/zinc/46/34/31/552463431.db2.gz XNUIOMJMFRIAHR-RSORRPJOSA-N 0 0 529.636 6.418 50 30 KKEARN N#C[C@@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000004546736 552465706 /nfs/dbraw/zinc/46/57/06/552465706.db2.gz HDORPSOLFSLMLB-KYJUHHDHSA-N 0 0 504.427 8.419 50 30 KKEARN N#C[C@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000004546754 552465766 /nfs/dbraw/zinc/46/57/66/552465766.db2.gz HDORPSOLFSLMLB-XZWHSSHBSA-N 0 0 504.427 8.419 50 30 KKEARN O=C1/C(=C/c2cccc(Br)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(Br)c1 ZINC000004547601 552465893 /nfs/dbraw/zinc/46/58/93/552465893.db2.gz ZMOQKKYNUHULNB-FWSOMWAYSA-N 0 0 523.268 6.764 50 30 KKEARN O=C1/C(=C/c2ccc(Br)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(Br)cc1 ZINC000004547557 552465959 /nfs/dbraw/zinc/46/59/59/552465959.db2.gz NWBVSURDMLDHAY-HOFJZWJUSA-N 0 0 523.268 6.764 50 30 KKEARN CCOC(=O)c1cc2c(cc1Cl)N(CC)CC(=CC=Cc1n(CC)c3cc(Cl)c(C#N)cc3[n+]1CC)N2CCCS(=O)(=O)[O-] ZINC000004558568 552467420 /nfs/dbraw/zinc/46/74/20/552467420.db2.gz KWLMHMQSPVUPCC-UHFFFAOYSA-O 0 0 661.632 6.009 50 30 KKEARN O=C(/C=C\c1c2ccccc2cc2ccccc21)c1ccc(C(=O)/C=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000004583855 552469269 /nfs/dbraw/zinc/46/92/69/552469269.db2.gz VZFIUAFFXORRFQ-SXAUZNKPSA-N 0 0 538.646 10.092 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000004635174 552469497 /nfs/dbraw/zinc/46/94/97/552469497.db2.gz YBODJWJYMPOZDY-DEOSSOPVSA-N 0 0 570.270 7.058 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004635709 552469509 /nfs/dbraw/zinc/46/95/09/552469509.db2.gz SVUXVEYGUKAAEH-AFMDSPMNSA-N 0 0 504.964 6.619 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004637304 552469839 /nfs/dbraw/zinc/46/98/39/552469839.db2.gz JUSDOPZAJKQOQS-PIIWDFAUSA-N 0 0 500.545 5.974 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000004636706 552469880 /nfs/dbraw/zinc/46/98/80/552469880.db2.gz BUOBHSWCFBNMNK-NRFANRHFSA-N 0 0 505.334 6.075 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000004636072 552469882 /nfs/dbraw/zinc/46/98/82/552469882.db2.gz MHQPYUJMTMQVDE-XHCCPWGMSA-N 0 0 514.528 5.694 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000004637003 552469900 /nfs/dbraw/zinc/46/99/00/552469900.db2.gz XSXXEPJOUHVKAU-ONOMSOESSA-N 0 0 513.588 6.031 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000004638893 552469999 /nfs/dbraw/zinc/46/99/99/552469999.db2.gz SVZAMDFYFCELQJ-MHZLTWQESA-N 0 0 513.594 5.867 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=CN[C@@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004641141 552470026 /nfs/dbraw/zinc/47/00/26/552470026.db2.gz BIRIHEBCKOWNSO-DQEYMECFSA-N 0 0 517.994 6.575 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000004649984 552471214 /nfs/dbraw/zinc/47/12/14/552471214.db2.gz UXHWWQAFAIWGKL-NDEPHWFRSA-N 0 0 542.035 6.093 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004667321 552471423 /nfs/dbraw/zinc/47/14/23/552471423.db2.gz HFFIVKRSILHFDQ-CRQXQDGGSA-N 0 0 546.579 6.151 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788091 552482638 /nfs/dbraw/zinc/48/26/38/552482638.db2.gz MLURZKWFYWVRKR-GZGVDWRWSA-N 0 0 595.740 6.559 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788076 552482713 /nfs/dbraw/zinc/48/27/13/552482713.db2.gz MLURZKWFYWVRKR-XDCSYDRFSA-N 0 0 595.740 6.559 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793744 552485631 /nfs/dbraw/zinc/48/56/31/552485631.db2.gz FFWHPRQGTBZSDE-NRFANRHFSA-N 0 0 518.595 5.592 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005355465 552498576 /nfs/dbraw/zinc/49/85/76/552498576.db2.gz UKDHYFXGXGGTPC-HSZRJFAPSA-N 0 0 534.634 5.817 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355707 552498977 /nfs/dbraw/zinc/49/89/77/552498977.db2.gz FMIDGHKECXYUNX-VWLOTQADSA-N 0 0 554.624 6.512 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357081 552499229 /nfs/dbraw/zinc/49/92/29/552499229.db2.gz LOLVDACRJBULKH-VWLOTQADSA-N 0 0 560.672 6.408 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)oc(-c2ccc(OC)cc2)c4-c2ccc(OC)cc2)cc1 ZINC000005910136 552511419 /nfs/dbraw/zinc/51/14/19/552511419.db2.gz FTPUTSGFZFDSDS-KMUKQRDJSA-N 0 0 549.587 6.171 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000005917841 552511420 /nfs/dbraw/zinc/51/14/20/552511420.db2.gz RIGRLGROSULFMB-FQEVSTJZSA-N 0 0 512.462 6.570 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000005919230 552512326 /nfs/dbraw/zinc/51/23/26/552512326.db2.gz BXTXINXLYAHZEE-QFIPXVFZSA-N 0 0 536.606 5.127 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000005928456 552513030 /nfs/dbraw/zinc/51/30/30/552513030.db2.gz IPAYMHJCVHENJW-DCFHFQCYSA-N 0 0 529.731 6.818 50 30 KKEARN CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005944526 552514718 /nfs/dbraw/zinc/51/47/18/552514718.db2.gz RKNZGXAWAASLPJ-RGJYROARSA-N 0 0 620.878 9.841 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006089866 552532852 /nfs/dbraw/zinc/53/28/52/552532852.db2.gz PRAITIVWENASLU-UHFFFAOYSA-N 0 0 514.050 7.379 50 30 KKEARN Cc1cc(C)nc(N=C(Nc2cc(Cl)ccc2C(=O)c2ccccc2)NS(=O)(=O)c2ccc(F)cc2)n1 ZINC000006115903 552534883 /nfs/dbraw/zinc/53/48/83/552534883.db2.gz GCDYUTBLUMDEKC-UHFFFAOYSA-N 0 0 538.004 5.386 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000006136413 552541700 /nfs/dbraw/zinc/54/17/00/552541700.db2.gz NBJLSZRBMPEEGL-NDZAJKAJSA-N 0 0 554.611 5.547 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@@H]2c1cccc(Br)c1 ZINC000006143579 552545208 /nfs/dbraw/zinc/54/52/08/552545208.db2.gz SVQFFAQERGYPBJ-HXUWFJFHSA-N 0 0 540.458 6.164 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000006144725 552547315 /nfs/dbraw/zinc/54/73/15/552547315.db2.gz SRBKVGNQTMJSET-IBBHUPRXSA-N 0 0 589.443 7.897 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OCc3ccccc3)c2)cc1 ZINC000006156981 552552693 /nfs/dbraw/zinc/55/26/93/552552693.db2.gz SSSAJGIRACWMAL-HPMVVLTCSA-N 0 0 502.614 7.254 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000006177198 552560055 /nfs/dbraw/zinc/56/00/55/552560055.db2.gz QZCKVXJEFFNSMP-FQEVSTJZSA-N 0 0 550.083 8.222 50 30 KKEARN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000006194236 552566001 /nfs/dbraw/zinc/56/60/01/552566001.db2.gz FHGPSSGMQHSKLL-LQKURTRISA-N 0 0 567.452 7.817 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000006196517 552568725 /nfs/dbraw/zinc/56/87/25/552568725.db2.gz ODCLKEVXVSAWGQ-NGOKVRLYSA-N 0 0 521.610 5.036 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197160 552569336 /nfs/dbraw/zinc/56/93/36/552569336.db2.gz MYLKHQOBMRBPEZ-KCWXNJEJSA-N 0 0 519.638 5.663 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000006197174 552569356 /nfs/dbraw/zinc/56/93/56/552569356.db2.gz DWDQIMUPALQBTA-PIIWDFAUSA-N 0 0 506.042 6.586 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(CC)cc1 ZINC000006197641 552569592 /nfs/dbraw/zinc/56/95/92/552569592.db2.gz VHNLWPYJYFKFAC-IADCTJSHSA-N 0 0 535.706 5.924 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2)cc1 ZINC000006245724 552574171 /nfs/dbraw/zinc/57/41/71/552574171.db2.gz CUVGJOCBYYCQPS-UHFFFAOYSA-N 0 0 558.191 8.835 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cc(Cl)ccc3C)c2C#N)cc1OC ZINC000006245775 552574323 /nfs/dbraw/zinc/57/43/23/552574323.db2.gz ZZPSEFYKWQQPIY-UHFFFAOYSA-N 0 0 544.076 7.306 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2C#N)cc1OC ZINC000006245884 552574327 /nfs/dbraw/zinc/57/43/27/552574327.db2.gz YQUROZWPVYNKJQ-UHFFFAOYSA-N 0 0 587.701 8.136 50 30 KKEARN COC(=O)C1=C(C(=O)OC)SC(=C2c3cc(C)ccc3NC(C)(C)/C2=N\c2ccc(OC)cc2)S1 ZINC000006281405 552577365 /nfs/dbraw/zinc/57/73/65/552577365.db2.gz SOEUJBGKLXXKLL-QYQHSDTDSA-N 0 0 510.637 5.687 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(F)cc4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000006289632 552578879 /nfs/dbraw/zinc/57/88/79/552578879.db2.gz JKFZVNAGYLWBEU-KCEHZKJRSA-N 0 0 553.033 7.702 50 30 KKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2cccs2)nc1SCCS(=O)(=O)c1nc2ccccc2s1 ZINC000006304055 552580652 /nfs/dbraw/zinc/58/06/52/552580652.db2.gz WTGCCDCAZSZRBZ-UHFFFAOYSA-N 0 0 537.688 6.664 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(C)c2)cc1OC ZINC000006442966 552585334 /nfs/dbraw/zinc/58/53/34/552585334.db2.gz DBDUBILUJKEQGK-PZGXJGMVSA-N 0 0 501.623 5.860 50 30 KKEARN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000006443275 552585576 /nfs/dbraw/zinc/58/55/76/552585576.db2.gz JDVGHKGSNWKRFZ-UHFFFAOYSA-N 0 0 505.687 7.932 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2C)cc1OC ZINC000006444580 552586977 /nfs/dbraw/zinc/58/69/77/552586977.db2.gz SGXOIXXTZKTVFB-SMSORMJASA-N 0 0 515.650 6.250 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 ZINC000006460379 552590296 /nfs/dbraw/zinc/59/02/96/552590296.db2.gz HATHOCPLMFWNTF-VOCPSOEZSA-N 0 0 552.324 5.382 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000006472030 552591784 /nfs/dbraw/zinc/59/17/84/552591784.db2.gz WEKPXPWMSHVEGM-WDXZXSAHSA-N 0 0 550.124 7.460 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C(=O)OC)cc3)S2)cc1 ZINC000006472023 552591803 /nfs/dbraw/zinc/59/18/03/552591803.db2.gz PNNCLGIMTBDOTF-GDHFJQHYSA-N 0 0 511.644 5.413 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000006472058 552591843 /nfs/dbraw/zinc/59/18/43/552591843.db2.gz VMMDIMFXSMLPDX-OSMYGOMNSA-N 0 0 559.732 6.857 50 30 KKEARN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]12 ZINC000006632105 552972237 /nfs/dbraw/zinc/97/22/37/552972237.db2.gz OKUSKPOPDDISCJ-MEJBZONZSA-N 0 0 546.692 6.604 50 30 KKEARN CC[C@]12C(=O)[C@](CC)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]12 ZINC000006632116 552972275 /nfs/dbraw/zinc/97/22/75/552972275.db2.gz OKUSKPOPDDISCJ-IFYYNRDRSA-N 0 0 546.692 6.604 50 30 KKEARN O=C1O[C@]2(c3ccccc3)C(=C(c3ccccc3)N(c3ccccc3)C(=O)C2(c2ccccc2)c2ccccc2)C1=O ZINC000008384146 552988870 /nfs/dbraw/zinc/98/88/70/552988870.db2.gz NFUCCIYYAJNIOR-DIPNUNPCSA-N 0 0 547.610 6.452 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000008395957 552994463 /nfs/dbraw/zinc/99/44/63/552994463.db2.gz UUZXFWTYLIERMI-NDEPHWFRSA-N 0 0 515.451 6.835 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N\c1ccc(N2CCCCC2)cc1 ZINC000008396147 552994820 /nfs/dbraw/zinc/99/48/20/552994820.db2.gz HWFRBCCOKXECLU-IJNUXEFVSA-N 0 0 540.179 8.167 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCC)Nc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000008396124 552994904 /nfs/dbraw/zinc/99/49/04/552994904.db2.gz DIADREFGWHLGHW-QHCPKHFHSA-N 0 0 511.644 5.095 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000008396250 552995080 /nfs/dbraw/zinc/99/50/80/552995080.db2.gz YYTLHPIKICOEKR-JCMHNJIXSA-N 0 0 507.011 5.609 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1Br ZINC000008396227 552995087 /nfs/dbraw/zinc/99/50/87/552995087.db2.gz HCTWCDSLXSHFJA-AQTBWJFISA-N 0 0 593.293 5.638 50 30 KKEARN CCCN(CCC)c1ccc(/C=C2\S/C(=N\c3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000008396495 552995484 /nfs/dbraw/zinc/99/54/84/552995484.db2.gz LMBFBUFSKPPRCX-WFQJSBOJSA-N 0 0 511.735 8.246 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000008397309 552996410 /nfs/dbraw/zinc/99/64/10/552996410.db2.gz OOTPGGWGGFGWFC-SAEPALGJSA-N 0 0 661.594 8.007 50 30 KKEARN Cc1ccc(/N=C(\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000008397463 552996611 /nfs/dbraw/zinc/99/66/11/552996611.db2.gz HRVGVXLFDXRQKC-LAWMERGMSA-N 0 0 532.728 9.029 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)c(Cl)c1 ZINC000008397523 552996864 /nfs/dbraw/zinc/99/68/64/552996864.db2.gz WUDFVVMIMIYDQH-FDAWAROLSA-N 0 0 548.478 6.937 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1CCCC ZINC000008397618 552997343 /nfs/dbraw/zinc/99/73/43/552997343.db2.gz VNAINFBKCSMRDE-XSFASMNZSA-N 0 0 571.941 10.391 50 30 KKEARN CCCCCCCCCC/C=C/CCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000008397690 552997366 /nfs/dbraw/zinc/99/73/66/552997366.db2.gz PZHJQLHKUROTRN-LCJITAHGSA-N 0 0 708.558 10.989 50 30 KKEARN COc1ccc(/C=C2\SC(N/N=C3\C[C@@H]4CC[C@@]3(C)C4(C)C)=NC2=O)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000008397900 552997851 /nfs/dbraw/zinc/99/78/51/552997851.db2.gz DTBWFIZYEJOMEF-DTRTXRHZSA-N 0 0 592.976 7.997 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2C(N)=O)C1 ZINC000008398441 552999189 /nfs/dbraw/zinc/99/91/89/552999189.db2.gz OTQIDRGYVWWEHH-MRVPVSSYSA-N 0 0 574.456 6.225 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008398966 553000062 /nfs/dbraw/zinc/00/00/62/553000062.db2.gz IUMUMPGNKFQTDX-HHHXNRCGSA-N 0 0 536.459 7.851 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008398923 553000096 /nfs/dbraw/zinc/00/00/96/553000096.db2.gz KDFSJBXMDUSNAH-UDNBHOFDSA-N 0 0 539.632 7.084 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\c3ccc(OC)cc3)N\2c2ccc(OC)cc2)cc1 ZINC000008399114 553000300 /nfs/dbraw/zinc/00/03/00/553000300.db2.gz PWSXBWQWSIBOOI-QESWMPHASA-N 0 0 552.656 7.422 50 30 KKEARN Cc1ccc(NC(=N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(=N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)Nc2ccc(C)cc2)cc1 ZINC000008399394 553001151 /nfs/dbraw/zinc/00/11/51/553001151.db2.gz BXDOCGKLOGOSEV-JNBMXARQSA-N 0 0 542.856 9.164 50 30 KKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]2C(=O)c1ccc(Br)cc1 ZINC000008399968 553002969 /nfs/dbraw/zinc/00/29/69/553002969.db2.gz XBLDIYUUSRBTRJ-WJOKGBTCSA-N 0 0 692.632 7.496 50 30 KKEARN CCOc1ccc(C2=C(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000008400161 553003774 /nfs/dbraw/zinc/00/37/74/553003774.db2.gz HWYZKLULJQDWHD-AYRKRNRISA-N 0 0 555.678 7.530 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000008400436 553004680 /nfs/dbraw/zinc/00/46/80/553004680.db2.gz FMQOZTAZIUUOHL-HYVCQZIRSA-N 0 0 505.571 5.094 50 30 KKEARN C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008400561 553004984 /nfs/dbraw/zinc/00/49/84/553004984.db2.gz NDBLHEAHVXHPMW-FJXAFNGESA-N 0 0 507.615 6.035 50 30 KKEARN CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1OC ZINC000008400555 553004995 /nfs/dbraw/zinc/00/49/95/553004995.db2.gz LJYBEPQALDWCQP-BWVVECPISA-N 0 0 634.552 6.728 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000008400658 553005230 /nfs/dbraw/zinc/00/52/30/553005230.db2.gz LKHCVPDTDJKSJV-JTGJOCGUSA-N 0 0 553.478 6.287 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000008400731 553005402 /nfs/dbraw/zinc/00/54/02/553005402.db2.gz HGKLHFUISWZUJE-DIBXZPPDSA-N 0 0 555.696 6.733 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2cc(Cl)cc(Cl)c2OC)C1=O ZINC000008400733 553005429 /nfs/dbraw/zinc/00/54/29/553005429.db2.gz IOUUABCZKIYQFG-UNOMPAQXSA-N 0 0 534.461 6.161 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1 ZINC000008405410 553006946 /nfs/dbraw/zinc/00/69/46/553006946.db2.gz MVDFQNUBNHVQJI-KWRNATMASA-N 0 0 517.028 6.856 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000008407028 553007711 /nfs/dbraw/zinc/00/77/11/553007711.db2.gz IWNGAEUFKHVUFV-YTTGMZPUSA-N 0 0 637.401 9.806 50 30 KKEARN Cc1ccccc1OCCOc1ccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1 ZINC000008407637 553008767 /nfs/dbraw/zinc/00/87/67/553008767.db2.gz XODHAIIBOAAXKK-UQRQXUALSA-N 0 0 514.674 5.669 50 30 KKEARN Cc1ccccc1OCCOc1ccccc1C=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000008407657 553008792 /nfs/dbraw/zinc/00/87/92/553008792.db2.gz XURINYHFWNSBLI-UQRQXUALSA-N 0 0 514.674 5.669 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000008408155 553009487 /nfs/dbraw/zinc/00/94/87/553009487.db2.gz NGXRRBNVLDBJBN-YPHKZZGKSA-N 0 0 556.687 8.232 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(OC(=O)c2ccc(Cl)cc2)c1 ZINC000008410578 553009702 /nfs/dbraw/zinc/00/97/02/553009702.db2.gz NIRATTREQJUUBW-RUZDIDTESA-N 0 0 509.989 6.497 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c2C#N)cc(OC)c1OC ZINC000008412929 553010038 /nfs/dbraw/zinc/01/00/38/553010038.db2.gz GYBIDOXJYTUCTP-UHFFFAOYSA-N 0 0 617.752 8.235 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413287 553010083 /nfs/dbraw/zinc/01/00/83/553010083.db2.gz STNJGVRDLHVXPY-JOCHJYFZSA-N 0 0 556.913 6.955 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000008413452 553010140 /nfs/dbraw/zinc/01/01/40/553010140.db2.gz LDMYPUOAPDOVQS-LJAQVGFWSA-N 0 0 523.633 5.912 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413218 553010143 /nfs/dbraw/zinc/01/01/43/553010143.db2.gz HLYIOLBXWMWQFF-OAQYLSRUSA-N 0 0 500.824 5.740 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413565 553010366 /nfs/dbraw/zinc/01/03/66/553010366.db2.gz GOKRAMHFHPNPJA-NRFANRHFSA-N 0 0 500.824 5.740 50 30 KKEARN CCSc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2C#N)s1 ZINC000008414307 553010389 /nfs/dbraw/zinc/01/03/89/553010389.db2.gz QGCGFDLJPVNUMT-UHFFFAOYSA-N 0 0 511.576 5.342 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413569 553010396 /nfs/dbraw/zinc/01/03/96/553010396.db2.gz GOKRAMHFHPNPJA-OAQYLSRUSA-N 0 0 500.824 5.740 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008414781 553010509 /nfs/dbraw/zinc/01/05/09/553010509.db2.gz QNBXJYSFSLIFHW-XMMPIXPASA-N 0 0 514.544 5.965 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000008414791 553010613 /nfs/dbraw/zinc/01/06/13/553010613.db2.gz RZWHHYHSMJHGIB-QHCPKHFHSA-N 0 0 520.935 5.983 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008415051 553010890 /nfs/dbraw/zinc/01/08/90/553010890.db2.gz KQDAYJBMTQNFQB-CLYVBNDRSA-N 0 0 571.426 8.013 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008415026 553010907 /nfs/dbraw/zinc/01/09/07/553010907.db2.gz ANXCEWXGZGILPA-SOKVYYICSA-N 0 0 539.409 7.272 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008415142 553010919 /nfs/dbraw/zinc/01/09/19/553010919.db2.gz WTXJDVFNORIDNB-QHCPKHFHSA-N 0 0 502.964 6.910 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008416016 553011546 /nfs/dbraw/zinc/01/15/46/553011546.db2.gz FSEKYVOGXCJFNB-SDUSCBPUSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008416009 553011587 /nfs/dbraw/zinc/01/15/87/553011587.db2.gz FSEKYVOGXCJFNB-GPUOULLFSA-N 0 0 524.013 5.063 50 30 KKEARN CC[C@@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000008416673 553012251 /nfs/dbraw/zinc/01/22/51/553012251.db2.gz HYOQGNNTDRWLMX-KCWXNJEJSA-N 0 0 537.685 7.053 50 30 KKEARN CC[C@@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000008416678 553012264 /nfs/dbraw/zinc/01/22/64/553012264.db2.gz HYOQGNNTDRWLMX-ONOMSOESSA-N 0 0 537.685 7.053 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2C#N)c1OC ZINC000008416909 553012525 /nfs/dbraw/zinc/01/25/25/553012525.db2.gz MOIPUVIZVWXQSS-UHFFFAOYSA-N 0 0 628.779 8.620 50 30 KKEARN c1c(-c2cccc3ccccc32)[nH]c(/N=C2/N=C(c3cccc4ccccc43)C=C2c2ccccc2)c1-c1ccccc1 ZINC000008417364 553013003 /nfs/dbraw/zinc/01/30/03/553013003.db2.gz BFINTJHPVNLUHJ-WDHDNBHHSA-N 0 0 549.677 10.272 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000008424464 553013722 /nfs/dbraw/zinc/01/37/22/553013722.db2.gz IVTACEYAUFNDHX-WWFXOLRUSA-N 0 0 698.433 6.050 50 30 KKEARN CCOc1ccc2nc(S[C@H](Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c3ccc(Cl)cc3)sc2c1 ZINC000008426070 553017452 /nfs/dbraw/zinc/01/74/52/553017452.db2.gz XDFWKVYKQUSGKD-QYBDOPJKSA-N 0 0 568.233 9.336 50 30 KKEARN CCCCCCCCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 ZINC000008426379 553018092 /nfs/dbraw/zinc/01/80/92/553018092.db2.gz BNEBBTHARUXVOS-UHFFFAOYSA-N 0 0 554.845 8.134 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008426311 553018150 /nfs/dbraw/zinc/01/81/50/553018150.db2.gz LMYZYUUPRHAROB-FNRVZINGSA-N 0 0 656.661 9.058 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c(Cl)cccc3Cl)c2C#N)cc1 ZINC000008426581 553018901 /nfs/dbraw/zinc/01/89/01/553018901.db2.gz CBCIYNPPPBFOFN-UHFFFAOYSA-N 0 0 520.441 7.333 50 30 KKEARN COc1cc(/C=N/c2ccc(/N=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008427065 553019392 /nfs/dbraw/zinc/01/93/92/553019392.db2.gz SWGIGXYTLCDDOX-CQFWSYKGSA-N 0 0 708.596 8.422 50 30 KKEARN O=C(Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008427047 553019416 /nfs/dbraw/zinc/01/94/16/553019416.db2.gz JZQQNLAPSIYAAZ-UHFFFAOYSA-N 0 0 625.267 6.487 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008427315 553019822 /nfs/dbraw/zinc/01/98/22/553019822.db2.gz LXZXHMCNMUUBHI-VYOWOUGHSA-N 0 0 528.483 7.180 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1I ZINC000008427340 553019854 /nfs/dbraw/zinc/01/98/54/553019854.db2.gz LUEUQNCDVDLZHG-SDHSZQHLSA-N 0 0 561.810 6.229 50 30 KKEARN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000008427448 553019889 /nfs/dbraw/zinc/01/98/89/553019889.db2.gz UMVKWBGIWVAUBX-AFUMVMLFSA-N 0 0 561.282 5.585 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc(Br)cc5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000008430187 553021077 /nfs/dbraw/zinc/02/10/77/553021077.db2.gz CQDWCEUNSPCRRV-HNNXBMFYSA-N 0 0 602.480 7.514 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000008430237 553021349 /nfs/dbraw/zinc/02/13/49/553021349.db2.gz AKCFXRRKXSYBFF-SOKVYYICSA-N 0 0 517.412 7.388 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008430401 553021541 /nfs/dbraw/zinc/02/15/41/553021541.db2.gz ZEUSCDACFHHCSM-QTEAWJPNSA-N 0 0 530.621 6.099 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)c1 ZINC000008430569 553021715 /nfs/dbraw/zinc/02/17/15/553021715.db2.gz QYLWHHKLGKVTFH-RKOGDMNLSA-N 0 0 519.395 6.166 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc(OC)c1OC ZINC000008430593 553021753 /nfs/dbraw/zinc/02/17/53/553021753.db2.gz UPGIOCQSHQIWEA-JMQGSBJISA-N 0 0 502.636 6.414 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)C[C@@H]1C 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ZINC000008445092 553053133 /nfs/dbraw/zinc/05/31/33/553053133.db2.gz IZHPNAAMOQKYMH-YHZWMNSLSA-N 0 0 565.758 8.022 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000008445131 553053413 /nfs/dbraw/zinc/05/34/13/553053413.db2.gz PLUWBBVOAUSTMD-JPZYQRIQSA-N 0 0 544.051 7.729 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000008445130 553053443 /nfs/dbraw/zinc/05/34/43/553053443.db2.gz PLUWBBVOAUSTMD-UVDDSOTQSA-N 0 0 544.051 7.729 50 30 KKEARN CO[C@@]12C=C[C@@H](CC1)C1=C2C(=O)c2c(OC(=O)c3ccccc3)ccc(OC(=O)c3ccccc3)c2C1=O ZINC000008445517 553054463 /nfs/dbraw/zinc/05/44/63/553054463.db2.gz QILOZYVFJUKCDA-DRKIFQHWSA-N 0 0 506.510 5.166 50 30 KKEARN Clc1ccccc1COc1cccc(NN=Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000008445686 553054674 /nfs/dbraw/zinc/05/46/74/553054674.db2.gz VNXDVASDZZUAFV-ZCTHSVRISA-N 0 0 522.012 7.037 50 30 KKEARN CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C(=O)NCC45C[C@@H]6C[C@H](C4)CC(c4ccc(C)cc4)(C6)C5)cc3)cc2)cc1 ZINC000008445670 553054696 /nfs/dbraw/zinc/05/46/96/553054696.db2.gz OVSDLVRPUKWGGM-MRKNYJEESA-N 0 0 596.771 8.606 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008445774 553054911 /nfs/dbraw/zinc/05/49/11/553054911.db2.gz OBRAQACQTRWUEF-UHFFFAOYSA-N 0 0 512.078 7.851 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000008445858 553055142 /nfs/dbraw/zinc/05/51/42/553055142.db2.gz KSEQYICOJNSXQX-UHFFFAOYSA-N 0 0 500.023 7.070 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2c(C)cc(C)cc2C)c1C#N ZINC000008446060 553055329 /nfs/dbraw/zinc/05/53/29/553055329.db2.gz OIPZRNZXTOIHII-UHFFFAOYSA-N 0 0 507.659 7.260 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@H]1CCCC[C@@H]1[S@@](=O)Cc1ccccc1 ZINC000008448620 553056262 /nfs/dbraw/zinc/05/62/62/553056262.db2.gz LWFZMPQZNNSCAO-FJKJGAQPSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449344 553057029 /nfs/dbraw/zinc/05/70/29/553057029.db2.gz ZDAYPYLBUQYHSO-PEELMAGKSA-N 0 0 543.748 7.513 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1Br ZINC000008450345 553058006 /nfs/dbraw/zinc/05/80/06/553058006.db2.gz DRKGLZVVLXKDQS-MUUNZHRXSA-N 0 0 687.816 7.454 50 30 KKEARN COc1ccc2nc(NC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008450323 553058009 /nfs/dbraw/zinc/05/80/09/553058009.db2.gz SFCSVQJQXPAANP-XMMPIXPASA-N 0 0 533.650 5.565 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 ZINC000008450285 553058029 /nfs/dbraw/zinc/05/80/29/553058029.db2.gz YIVKNYGSDRLGHB-QHZFHHJPSA-N 0 0 640.689 5.896 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008450288 553058032 /nfs/dbraw/zinc/05/80/32/553058032.db2.gz JTLSSSUGFQDQCN-QYBDOPJKSA-N 0 0 515.411 5.239 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000008450608 553058803 /nfs/dbraw/zinc/05/88/03/553058803.db2.gz WGZKKMMYVXQDAH-OBXVJYLJSA-N 0 0 527.694 7.008 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008450848 553059438 /nfs/dbraw/zinc/05/94/38/553059438.db2.gz AABSDELTGRHGBY-GOXGLGGOSA-N 0 0 529.596 7.118 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)cc(C(F)(F)F)c1C#N)CCC2 ZINC000008451106 553060080 /nfs/dbraw/zinc/06/00/80/553060080.db2.gz BAKWPVXNCLDINA-UHFFFAOYSA-N 0 0 531.581 6.097 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)Nc3ccc(SC)cc3)n2)cc1 ZINC000008451080 553060102 /nfs/dbraw/zinc/06/01/02/553060102.db2.gz HZZMKQBBSZDZMB-UHFFFAOYSA-N 0 0 503.674 6.810 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c2C#N)cc1 ZINC000008451136 553060383 /nfs/dbraw/zinc/06/03/83/553060383.db2.gz CRMOTEIYEPWKMC-UHFFFAOYSA-N 0 0 528.684 6.510 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1OC ZINC000008451157 553060390 /nfs/dbraw/zinc/06/03/90/553060390.db2.gz KCUJRRBLYUYECI-UHFFFAOYSA-N 0 0 544.580 5.809 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452370 553063730 /nfs/dbraw/zinc/06/37/30/553063730.db2.gz FOTCLXPLHYCDGM-ACQOKJFWSA-N 0 0 516.619 5.993 50 30 KKEARN C=CCN1C(=O)S/C(=C/c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000008452411 553063758 /nfs/dbraw/zinc/06/37/58/553063758.db2.gz PUKCOELLAPQVKC-GIJQJNRQSA-N 0 0 628.229 5.569 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3OC)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452860 553064948 /nfs/dbraw/zinc/06/49/48/553064948.db2.gz RJFLZAUWYOAVFQ-OFTKFCIUSA-N 0 0 560.628 5.866 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\C(=O)Nc4ccc(CC)cc43)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452889 553065277 /nfs/dbraw/zinc/06/52/77/553065277.db2.gz ASHQDPDMYFOODQ-PRPQHQTQSA-N 0 0 569.639 5.733 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=N)S1 ZINC000008452988 553065485 /nfs/dbraw/zinc/06/54/85/553065485.db2.gz MRKSKASFYJGIHH-OHSQDCCFSA-N 0 0 557.489 7.147 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)OC5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008453679 553066695 /nfs/dbraw/zinc/06/66/95/553066695.db2.gz JOVGVYUYUCQRFW-LWULPYQPSA-N 0 0 528.887 10.887 50 30 KKEARN O=C1Nc2ccc(Br)cc2C1=NN=c1cc(-c2ccccc2)c2cc(Br)ccc2[nH]1 ZINC000008453997 553067124 /nfs/dbraw/zinc/06/71/24/553067124.db2.gz VPPXLKLWSIMDAT-UHFFFAOYSA-N 0 0 522.200 6.195 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000008454632 553069388 /nfs/dbraw/zinc/06/93/88/553069388.db2.gz RBVUIWVCLSYSBF-GJQIITCKSA-N 0 0 544.642 7.589 50 30 KKEARN Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3N2)cc1 ZINC000008454742 553069523 /nfs/dbraw/zinc/06/95/23/553069523.db2.gz HVTDCGLLCOKPJA-VQTJNVASSA-N 0 0 610.477 7.027 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1ccc(F)cc1 ZINC000008454702 553069530 /nfs/dbraw/zinc/06/95/30/553069530.db2.gz ACZOJDSSONXVNU-FKHNUNNCSA-N 0 0 526.652 7.450 50 30 KKEARN Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3N2)cc1 ZINC000008454744 553069539 /nfs/dbraw/zinc/06/95/39/553069539.db2.gz HVTDCGLLCOKPJA-PMACEKPBSA-N 0 0 610.477 7.027 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455739 553073387 /nfs/dbraw/zinc/07/33/87/553073387.db2.gz ONDJKFDKJMMEOH-HFJWLAOPSA-N 0 0 510.943 7.111 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008455747 553073435 /nfs/dbraw/zinc/07/34/35/553073435.db2.gz YACALRSCCDEZAJ-UKJJDJLKSA-N 0 0 519.044 7.863 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000008455859 553073966 /nfs/dbraw/zinc/07/39/66/553073966.db2.gz OODAWVXUHZKNGA-NVXWUHKLSA-N 0 0 584.849 7.024 50 30 KKEARN Cc1cc(C)n(-c2nc(N=NCc3ccccc3OCc3ccccc3)nc(Nc3ccc(Cl)cc3)n2)n1 ZINC000008456369 553074722 /nfs/dbraw/zinc/07/47/22/553074722.db2.gz XNVRAVXKZWWXOG-OCSSWDANSA-N 0 0 525.016 6.096 50 30 KKEARN CC(=O)Nc1cccc(NC(=S)CSc2nc(-c3ccc(Cl)cc3)cc(-c3cccs3)c2C#N)c1 ZINC000008456626 553074739 /nfs/dbraw/zinc/07/47/39/553074739.db2.gz GZOBJRPJHCNZQF-UHFFFAOYSA-N 0 0 535.119 7.492 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000008461801 553075204 /nfs/dbraw/zinc/07/52/04/553075204.db2.gz UOYUOHIJLPVFAO-UHFFFAOYSA-N 0 0 605.175 6.998 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOc1ccc(Br)cc1 ZINC000008492280 553075859 /nfs/dbraw/zinc/07/58/59/553075859.db2.gz MMRYHYBRCOGQPY-NJZRLIGZSA-N 0 0 595.542 5.742 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000008492388 553075871 /nfs/dbraw/zinc/07/58/71/553075871.db2.gz BBVIIZXIQCYEPT-NDZAJKAJSA-N 0 0 629.581 5.360 50 30 KKEARN Cc1ccc(C(C)C)c(OCCOc2ccccc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000008492746 553076057 /nfs/dbraw/zinc/07/60/57/553076057.db2.gz PPSPYOUNDIQSTG-NJZRLIGZSA-N 0 0 529.689 5.408 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CCC)SC4=NC3=O)cc2)c(OC)c1 ZINC000008495221 553077070 /nfs/dbraw/zinc/07/70/70/553077070.db2.gz FNWTVEJFYWRVLC-UKHUTJJTSA-N 0 0 504.612 5.301 50 30 KKEARN O=C(NCc1ccccc1Cl)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008576313 553078406 /nfs/dbraw/zinc/07/84/06/553078406.db2.gz ZOFSREGMKSVXOO-UHFFFAOYSA-N 0 0 592.045 5.725 50 30 KKEARN Cc1cc(CSC(=N)Nc2ccccc2Cl)c(C)cc1CSC(=N)Nc1ccccc1Cl ZINC000008648196 553106782 /nfs/dbraw/zinc/10/67/82/553106782.db2.gz SXTJIEDNNTWXMP-UHFFFAOYSA-N 0 0 503.524 7.369 50 30 KKEARN O=C(CC(=CC(=C1Cc2ccccc2C1=O)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000008648637 553107010 /nfs/dbraw/zinc/10/70/10/553107010.db2.gz GEVJJKDLPKVMKP-HIFZXLITSA-N 0 0 519.438 7.998 50 30 KKEARN Cc1cc(C)c(C#N)c(S[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000008648803 553107325 /nfs/dbraw/zinc/10/73/25/553107325.db2.gz XRGOTEIHUGVTBC-HXUWFJFHSA-N 0 0 509.475 7.080 50 30 KKEARN COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1C/C=N/OCc1cccc(Cl)c1Cl ZINC000008681064 553112323 /nfs/dbraw/zinc/11/23/23/553112323.db2.gz PZFMXSLDXSLQEY-OOEWDAAOSA-N 0 0 557.308 5.749 50 30 KKEARN COc1ccc2[nH]cc(CCNC(c3ccc(C)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695160 553121167 /nfs/dbraw/zinc/12/11/67/553121167.db2.gz QBZRVORDWOISNZ-HIELXXDYSA-N 0 0 570.649 6.333 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000008695520 553121852 /nfs/dbraw/zinc/12/18/52/553121852.db2.gz QGGYZTAPXSNYQM-RDRPBHBLSA-N 0 0 500.006 5.894 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(C)=O ZINC000008695584 553122204 /nfs/dbraw/zinc/12/22/04/553122204.db2.gz BWKVHCZHZKCQPZ-INZDWPOASA-N 0 0 540.660 6.802 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695600 553122475 /nfs/dbraw/zinc/12/24/75/553122475.db2.gz FBDPOSQCOIOTCW-AFMDSPMNSA-N 0 0 510.943 7.111 50 30 KKEARN Cc1c(N2C(=S)N=C(N[C@@H](c3ccc(Cl)cc3)c3cccc(Cl)c3)C23CCCCC3)c(=O)n(-c2ccccc2)n1C ZINC000008712223 553126201 /nfs/dbraw/zinc/12/62/01/553126201.db2.gz AJNBCWAEPNLYQT-MHZLTWQESA-N 0 0 604.607 7.377 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008738668 553130948 /nfs/dbraw/zinc/13/09/48/553130948.db2.gz ZAXFZEJSQQUCBL-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)c2cc(C(=O)/C=C/c4ccc(OC)cc4)ccc2n3C)cc1 ZINC000008740013 553131581 /nfs/dbraw/zinc/13/15/81/553131581.db2.gz HWDROYVWHKGIOZ-GCBPPVMSSA-N 0 0 501.582 7.141 50 30 biogenic KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008740600 553132130 /nfs/dbraw/zinc/13/21/30/553132130.db2.gz RIMNAEXJUSJPHX-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008740612 553132194 /nfs/dbraw/zinc/13/21/94/553132194.db2.gz YFORXSNOEFIIDQ-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008743354 553133536 /nfs/dbraw/zinc/13/35/36/553133536.db2.gz IDGOCQGLQQYRSG-QHCPKHFHSA-N 0 0 500.576 5.659 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccccc2C)cc1 ZINC000008754535 553135885 /nfs/dbraw/zinc/13/58/85/553135885.db2.gz LXHLBLZMOQTVQM-QHCPKHFHSA-N 0 0 512.631 5.309 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000008769657 553140612 /nfs/dbraw/zinc/14/06/12/553140612.db2.gz JRCPWHCQNCWTHH-OOAXWGSJSA-N 0 0 523.683 6.548 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008770840 553141234 /nfs/dbraw/zinc/14/12/34/553141234.db2.gz UQKVHFJORMZJAU-GDLZYMKVSA-N 0 0 522.645 6.685 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008775464 553142302 /nfs/dbraw/zinc/14/23/02/553142302.db2.gz VAMFYWOANXSMAH-HHHXNRCGSA-N 0 0 512.562 5.015 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000008775571 553142403 /nfs/dbraw/zinc/14/24/03/553142403.db2.gz HRXWHOWQWBBGOL-AREMUKBSSA-N 0 0 561.432 5.769 50 30 KKEARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008775967 553142579 /nfs/dbraw/zinc/14/25/79/553142579.db2.gz PKMDQELUIHNCIJ-HHHXNRCGSA-N 0 0 536.459 7.851 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc21 ZINC000008783618 553144991 /nfs/dbraw/zinc/14/49/91/553144991.db2.gz SKFHSYILDIWCJV-JGCGQSQUSA-N 0 0 504.630 7.649 50 30 biogenic,in-vitro KKEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C(C)C)cc3)N2C1=O ZINC000008791060 553146774 /nfs/dbraw/zinc/14/67/74/553146774.db2.gz PDWOXRMQCPCZML-YTMVLYRLSA-N 0 0 518.617 5.690 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000008817463 553152586 /nfs/dbraw/zinc/15/25/86/553152586.db2.gz FYPDESGCYYHYTM-SANMLTNESA-N 0 0 501.424 6.906 50 30 KKEARN COc1ccc(N/N=C(/Sc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)C(C)=O)cc1 ZINC000008818331 553153386 /nfs/dbraw/zinc/15/33/86/553153386.db2.gz CKUVRYBMTYSHRD-BYNJWEBRSA-N 0 0 512.422 6.356 50 30 KKEARN COc1ccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008836122 553162926 /nfs/dbraw/zinc/16/29/26/553162926.db2.gz YDVCNYMQQODAKU-SANMLTNESA-N 0 0 505.622 5.021 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845736 553165771 /nfs/dbraw/zinc/16/57/71/553165771.db2.gz FVGXIPKEBQJGLU-VOIUYBSRSA-N 0 0 519.623 5.522 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000008846356 553166087 /nfs/dbraw/zinc/16/60/87/553166087.db2.gz KOSGRGSZYAPMSN-UDNBHOFDSA-N 0 0 526.746 8.527 50 30 KKEARN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000008846340 553166132 /nfs/dbraw/zinc/16/61/32/553166132.db2.gz UOUMMBULCORECE-WHLCRQNOSA-N 0 0 503.429 7.304 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000008846376 553166222 /nfs/dbraw/zinc/16/62/22/553166222.db2.gz COAKUYHRDDZAQI-PUBOWXGGSA-N 0 0 508.761 5.751 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846430 553166290 /nfs/dbraw/zinc/16/62/90/553166290.db2.gz ZIZNRDRXYNZBRS-QFIPXVFZSA-N 0 0 512.787 6.202 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2F)cc1OC ZINC000008857537 553168330 /nfs/dbraw/zinc/16/83/30/553168330.db2.gz JWVOWUVGLKVKNB-OQRWROFFSA-N 0 0 523.402 6.585 50 30 KKEARN C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000008867253 553170561 /nfs/dbraw/zinc/17/05/61/553170561.db2.gz QUBRFFFEEKHCAF-UHFFFAOYSA-N 0 0 505.430 7.098 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc(C)cc1 ZINC000008872035 553171960 /nfs/dbraw/zinc/17/19/60/553171960.db2.gz YRCPBNIWCPBHCD-NJZRLIGZSA-N 0 0 543.672 5.225 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3cc(Br)ccc3OCc3ccccc3)nc(N3CCC(C)CC3)n2)c1C ZINC000008872133 553172491 /nfs/dbraw/zinc/17/24/91/553172491.db2.gz AOLXQTOWWLBAJS-HNSNBQBZSA-N 0 0 600.565 7.256 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1Br ZINC000008872291 553172905 /nfs/dbraw/zinc/17/29/05/553172905.db2.gz BIYPWYSJERAERZ-NDZAJKAJSA-N 0 0 594.514 5.289 50 30 KKEARN O=[N+]([O-])c1ccc(COc2cccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)c2)cc1 ZINC000008872317 553173051 /nfs/dbraw/zinc/17/30/51/553173051.db2.gz JLDFVCZPEZHMTP-VUTHCHCSSA-N 0 0 524.585 5.539 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000008872321 553173160 /nfs/dbraw/zinc/17/31/60/553173160.db2.gz LMDCYGDVIZMZBM-UZWMFBFFSA-N 0 0 663.520 6.274 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1cccc(C)c1 ZINC000008872493 553173523 /nfs/dbraw/zinc/17/35/23/553173523.db2.gz KULGEXNCEQGRJJ-AJBULDERSA-N 0 0 566.106 5.336 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872779 553174073 /nfs/dbraw/zinc/17/40/73/553174073.db2.gz RXEISWNEIFCVRR-NTFVMDSBSA-N 0 0 510.489 6.112 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3OC)nc(Nc3ccccc3)n2)cc1 ZINC000008872851 553174261 /nfs/dbraw/zinc/17/42/61/553174261.db2.gz RIYKQROWXRUEDQ-CVKSISIWSA-N 0 0 520.391 5.585 50 30 KKEARN Cc1ccc(C)c(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(N3CCOCC3)[nH]2)c1 ZINC000008872969 553174567 /nfs/dbraw/zinc/17/45/67/553174567.db2.gz DEGWDNMZRNWKNY-MBTHVWNTSA-N 0 0 548.991 5.336 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000008873010 553174658 /nfs/dbraw/zinc/17/46/58/553174658.db2.gz PUFIAAXMGXIFNE-VBNCLUCLSA-N 0 0 548.655 7.611 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000008875107 553175071 /nfs/dbraw/zinc/17/50/71/553175071.db2.gz BMECEDSOTWNEGY-UHFFFAOYSA-N 0 0 512.027 5.459 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008894948 553178122 /nfs/dbraw/zinc/17/81/22/553178122.db2.gz LOZVBPMQPZIROO-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008895099 553178243 /nfs/dbraw/zinc/17/82/43/553178243.db2.gz JNDGNYPSUAOIFY-NRFANRHFSA-N 0 0 506.580 5.118 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008904074 553183237 /nfs/dbraw/zinc/18/32/37/553183237.db2.gz HUJFKUPOBCZULD-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008904765 553183716 /nfs/dbraw/zinc/18/37/16/553183716.db2.gz OALPKFYTQWTLTG-QHCPKHFHSA-N 0 0 502.548 5.105 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000008916001 553186570 /nfs/dbraw/zinc/18/65/70/553186570.db2.gz LYOGQKSCOUHTRR-DIBXZPPDSA-N 0 0 517.672 6.283 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCOc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000008916014 553186586 /nfs/dbraw/zinc/18/65/86/553186586.db2.gz CMHXWXWXNFQBFD-XSFVSMFZSA-N 0 0 510.464 6.237 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1F)[C@H]2c1c(Cl)cccc1Cl ZINC000008920552 553189268 /nfs/dbraw/zinc/18/92/68/553189268.db2.gz OLLKSNDWLKJDJR-SANMLTNESA-N 0 0 509.408 7.589 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008921010 553189509 /nfs/dbraw/zinc/18/95/09/553189509.db2.gz ZRCHZUMPFRWHOT-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934716 553192914 /nfs/dbraw/zinc/19/29/14/553192914.db2.gz SVOJUVUWXSLSNZ-HSZRJFAPSA-N 0 0 504.995 6.304 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973648 553195264 /nfs/dbraw/zinc/19/52/64/553195264.db2.gz NDVSPDWYBRXREQ-XMMPIXPASA-N 0 0 502.567 6.316 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000008974743 553195724 /nfs/dbraw/zinc/19/57/24/553195724.db2.gz FCNYOEBCQTUPDS-SSEXGKCCSA-N 0 0 518.613 6.665 50 30 KKEARN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980295 553196075 /nfs/dbraw/zinc/19/60/75/553196075.db2.gz MOYPWADRCMOXPD-JOCHJYFZSA-N 0 0 525.575 5.562 50 30 KKEARN CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980286 553196106 /nfs/dbraw/zinc/19/61/06/553196106.db2.gz OTZFBGZBEBPXKP-QFIPXVFZSA-N 0 0 525.575 5.706 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000008986380 553196627 /nfs/dbraw/zinc/19/66/27/553196627.db2.gz ZHLQNWLXSHCYOT-YTTGMZPUSA-N 0 0 514.625 7.932 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009007676 553198335 /nfs/dbraw/zinc/19/83/35/553198335.db2.gz KFIIWIHHXHTYFE-JOCHJYFZSA-N 0 0 504.564 5.615 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000009008503 553198820 /nfs/dbraw/zinc/19/88/20/553198820.db2.gz VAZDHWAZPIYUOX-JIVLHQBOSA-N 0 0 512.028 6.666 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1ccccc1Cl ZINC000009011986 553199862 /nfs/dbraw/zinc/19/98/62/553199862.db2.gz JRDSMGABDMROBV-JPQMRUPTSA-N 0 0 513.081 8.129 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccc(N(C)C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009012083 553199900 /nfs/dbraw/zinc/19/99/00/553199900.db2.gz IIRKMMZYTRXHPA-XMMPIXPASA-N 0 0 525.609 5.042 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000009013442 553200153 /nfs/dbraw/zinc/20/01/53/553200153.db2.gz RDIUVFFENQIASV-GDLZYMKVSA-N 0 0 523.032 7.310 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009015303 553200388 /nfs/dbraw/zinc/20/03/88/553200388.db2.gz DUMVRSVDMMBZJO-RUZDIDTESA-N 0 0 512.587 5.721 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2cccc(C)c2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000009031519 553201578 /nfs/dbraw/zinc/20/15/78/553201578.db2.gz PTJYTCCVSYRKNH-BNEICHJSSA-N 0 0 508.441 6.080 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009034209 553202108 /nfs/dbraw/zinc/20/21/08/553202108.db2.gz DCMFSNKEJDFFFC-PMERELPUSA-N 0 0 524.734 7.546 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000009041326 553202228 /nfs/dbraw/zinc/20/22/28/553202228.db2.gz DZAGCZWOVSFLMW-XTEPFMGCSA-N 0 0 517.423 6.821 50 30 KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000009065019 553205702 /nfs/dbraw/zinc/20/57/02/553205702.db2.gz QFERJZLSDHAEIA-MUUNZHRXSA-N 0 0 512.606 6.169 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009069227 553206862 /nfs/dbraw/zinc/20/68/62/553206862.db2.gz GQAVLZHHPKCLJN-XMMPIXPASA-N 0 0 519.022 6.865 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)c1 ZINC000009075826 553207480 /nfs/dbraw/zinc/20/74/80/553207480.db2.gz IGXGDVULNMGDAL-IOYDYCAWSA-N 0 0 507.587 5.394 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009123741 553212547 /nfs/dbraw/zinc/21/25/47/553212547.db2.gz TXLLBMNJJKSNRJ-XMMPIXPASA-N 0 0 519.022 6.748 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124401 553212811 /nfs/dbraw/zinc/21/28/11/553212811.db2.gz NCJOJARWCHXDDD-SHACYNPGSA-N 0 0 516.550 5.550 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccccc1Br)OCCCO4 ZINC000009128845 553213085 /nfs/dbraw/zinc/21/30/85/553213085.db2.gz RCUVUAYLJHBZQO-FQEVSTJZSA-N 0 0 506.440 6.250 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(-c4ccc(C(C)=O)cc4)o3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000009129430 553213228 /nfs/dbraw/zinc/21/32/28/553213228.db2.gz DTWYOYDTOIFULE-DEOSSOPVSA-N 0 0 523.629 6.806 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4cccc(Cl)c4Cl)NC3=O)c2C)cc1 ZINC000009144472 553213652 /nfs/dbraw/zinc/21/36/52/553213652.db2.gz XSDMZZQRVFIBFO-BKUYFWCQSA-N 0 0 514.434 6.469 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009158247 553215091 /nfs/dbraw/zinc/21/50/91/553215091.db2.gz SZHPCYPHLAWEPB-JCOAXYOVSA-N 0 0 512.606 6.023 50 30 KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000009159318 553215294 /nfs/dbraw/zinc/21/52/94/553215294.db2.gz NAFNERMWKTVNCQ-MUXKCCDJSA-N 0 0 503.510 6.551 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000009159246 553215296 /nfs/dbraw/zinc/21/52/96/553215296.db2.gz YKQYAVQWZGQRBN-RUZDIDTESA-N 0 0 501.583 5.105 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009185705 553217445 /nfs/dbraw/zinc/21/74/45/553217445.db2.gz IRWSKKDAZGPEEN-XJFCNFDWSA-N 0 0 505.017 7.554 50 30 KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Br)c2)C3=O)cc(OC)c1OC ZINC000009192155 553218834 /nfs/dbraw/zinc/21/88/34/553218834.db2.gz YYFLFBGESMTNCT-JMIUGGIZSA-N 0 0 511.324 5.310 50 30 KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)c(Cl)c2)C3=O)cc(OC)c1OC ZINC000009216487 553221755 /nfs/dbraw/zinc/22/17/55/553221755.db2.gz JTDPNIZFPKWTEH-UKWGHVSLSA-N 0 0 501.318 5.855 50 30 KKEARN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000009232877 553224037 /nfs/dbraw/zinc/22/40/37/553224037.db2.gz FYVBCJFJPVFYGO-OVVQPSECSA-N 0 0 515.700 7.415 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000009242399 553226235 /nfs/dbraw/zinc/22/62/35/553226235.db2.gz DPMNCOOJGPQREK-DEOSSOPVSA-N 0 0 514.559 5.249 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000009242425 553226295 /nfs/dbraw/zinc/22/62/95/553226295.db2.gz PKCOIICXXGNWAD-XMMPIXPASA-N 0 0 502.567 6.179 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NCc1ccco1 ZINC000009264344 553229099 /nfs/dbraw/zinc/22/90/99/553229099.db2.gz YRAUWFPXWWNXML-SONOPUAISA-N 0 0 509.562 6.165 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009271423 553231004 /nfs/dbraw/zinc/23/10/04/553231004.db2.gz YZCDFJZAQPWIHS-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000009271592 553231023 /nfs/dbraw/zinc/23/10/23/553231023.db2.gz HBEGLPPVCPUDJL-HSZRJFAPSA-N 0 0 514.559 5.265 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009271513 553231059 /nfs/dbraw/zinc/23/10/59/553231059.db2.gz HCYBKTWHDVAOAH-JOCHJYFZSA-N 0 0 520.607 5.461 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000009271430 553231063 /nfs/dbraw/zinc/23/10/63/553231063.db2.gz OAFLIYGXGYAEJQ-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009271637 553231261 /nfs/dbraw/zinc/23/12/61/553231261.db2.gz YVEHLONBVLWPLV-MHZLTWQESA-N 0 0 526.658 7.218 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000009272201 553231452 /nfs/dbraw/zinc/23/14/52/553231452.db2.gz APCVVIVNXRSBNB-QHCPKHFHSA-N 0 0 516.432 5.407 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000009272466 553231803 /nfs/dbraw/zinc/23/18/03/553231803.db2.gz OSDBUDBDSFLOIH-DEOSSOPVSA-N 0 0 506.942 5.099 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000009272985 553232065 /nfs/dbraw/zinc/23/20/65/553232065.db2.gz CTLOJJBRZIUMOG-VWLOTQADSA-N 0 0 525.432 6.510 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009282086 553233837 /nfs/dbraw/zinc/23/38/37/553233837.db2.gz OIFJOOXAMXGJLT-ZZEVNCIZSA-N 0 0 513.561 5.455 50 30 KKEARN COc1ccc(CCN2C(=O)/C(=C\c3nc(C#N)c(Nc4ccc(C)cc4)o3)SC2=S)cc1OC ZINC000009282732 553234046 /nfs/dbraw/zinc/23/40/46/553234046.db2.gz MAHNFWOOIBMVSP-FYJGNVAPSA-N 0 0 506.609 5.059 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000009292956 553235243 /nfs/dbraw/zinc/23/52/43/553235243.db2.gz IEMPKXQZUACFQY-IIMAJNMQSA-N 0 0 517.581 6.581 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009302179 553236407 /nfs/dbraw/zinc/23/64/07/553236407.db2.gz JIHDXVZDWZGFEJ-JOCHJYFZSA-N 0 0 504.608 5.843 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009308712 553237690 /nfs/dbraw/zinc/23/76/90/553237690.db2.gz FFLWWJSHRIQDMK-MRDQGFSESA-N 0 0 510.615 6.273 50 30 KKEARN Clc1ccc(Cn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)cc1 ZINC000009309967 553238550 /nfs/dbraw/zinc/23/85/50/553238550.db2.gz UXINDXIYFFMYNS-ZCTHSVRISA-N 0 0 529.092 5.955 50 30 KKEARN CCOC(=O)COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1OCC ZINC000009310752 553239087 /nfs/dbraw/zinc/23/90/87/553239087.db2.gz GDDXSCHDGOXQDD-RDRPBHBLSA-N 0 0 527.585 5.145 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000009311028 553239340 /nfs/dbraw/zinc/23/93/40/553239340.db2.gz IGZNVXIRJAPKFK-AREMUKBSSA-N 0 0 524.488 8.386 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 ZINC000009311583 553239717 /nfs/dbraw/zinc/23/97/17/553239717.db2.gz XFKDFZDYZFFQOX-KMCQGPATSA-N 0 0 505.571 5.094 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009312765 553240408 /nfs/dbraw/zinc/24/04/08/553240408.db2.gz AQOXLHRCYZOJFB-AFJIDDCJSA-N 0 0 527.617 5.976 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009313028 553240905 /nfs/dbraw/zinc/24/09/05/553240905.db2.gz AIPFDMSNWIOQEH-LGGPFLRQSA-N 0 0 511.618 6.213 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009328939 553242025 /nfs/dbraw/zinc/24/20/25/553242025.db2.gz JZNUDIFDXWEWKV-XMMPIXPASA-N 0 0 502.567 6.179 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009328397 553242044 /nfs/dbraw/zinc/24/20/44/553242044.db2.gz ONHMBDJMPCJCBB-IQMFZBJNSA-N 0 0 512.393 5.182 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009328951 553242302 /nfs/dbraw/zinc/24/23/02/553242302.db2.gz AJWUGSWPBSUULJ-GDJIYFAZSA-N 0 0 531.605 5.959 50 30 KKEARN N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000009329737 553242395 /nfs/dbraw/zinc/24/23/95/553242395.db2.gz HBBRVXZGTBLMBO-UHFFFAOYSA-N 0 0 500.609 5.523 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009349925 553245036 /nfs/dbraw/zinc/24/50/36/553245036.db2.gz WYTOLSQVLLPQPV-VKGTZQKMSA-N 0 0 526.589 5.147 50 30 KKEARN COCc1cc(C)nc(N=NCc2cccc3ccc(OCc4ccc(Br)cc4)cc32)c1C#N ZINC000009353368 553245619 /nfs/dbraw/zinc/24/56/19/553245619.db2.gz OENVSPRKXGLAEK-MNDYBZJGSA-N 0 0 515.411 6.349 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009357861 553247220 /nfs/dbraw/zinc/24/72/20/553247220.db2.gz WCSFUJRSXGWBGX-LYZGTLIUSA-N 0 0 529.637 5.444 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009358594 553247655 /nfs/dbraw/zinc/24/76/55/553247655.db2.gz ZWHQDMBADODNIQ-HSZRJFAPSA-N 0 0 516.432 5.551 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000009370749 553250188 /nfs/dbraw/zinc/25/01/88/553250188.db2.gz UIKHFVHWNWDKCK-RUZDIDTESA-N 0 0 501.539 5.256 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009373945 553250692 /nfs/dbraw/zinc/25/06/92/553250692.db2.gz AQOXLHRCYZOJFB-WRONEBCDSA-N 0 0 527.617 5.976 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009374445 553250746 /nfs/dbraw/zinc/25/07/46/553250746.db2.gz XZWSMVATWMCPHE-SANMLTNESA-N 0 0 502.567 5.055 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000009379671 553251280 /nfs/dbraw/zinc/25/12/80/553251280.db2.gz UMUZPNQAAAKFHD-JOCHJYFZSA-N 0 0 518.591 5.203 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009379672 553251314 /nfs/dbraw/zinc/25/13/14/553251314.db2.gz UMUZPNQAAAKFHD-QFIPXVFZSA-N 0 0 518.591 5.203 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009379894 553251538 /nfs/dbraw/zinc/25/15/38/553251538.db2.gz YXEOTLIUFVWIBF-MUUNZHRXSA-N 0 0 530.621 5.611 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009379895 553251600 /nfs/dbraw/zinc/25/16/00/553251600.db2.gz YXEOTLIUFVWIBF-NDEPHWFRSA-N 0 0 530.621 5.611 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000009380598 553251911 /nfs/dbraw/zinc/25/19/11/553251911.db2.gz TVQCSHQLOLJACK-AREMUKBSSA-N 0 0 502.567 5.062 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1 ZINC000009380599 553251935 /nfs/dbraw/zinc/25/19/35/553251935.db2.gz TVQCSHQLOLJACK-SANMLTNESA-N 0 0 502.567 5.062 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009412442 553257550 /nfs/dbraw/zinc/25/75/50/553257550.db2.gz GBNOKNXWHVKBOG-OWJWWREXSA-N 0 0 517.006 6.364 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009424346 553258724 /nfs/dbraw/zinc/25/87/24/553258724.db2.gz ZDTSWUAWXDCQMQ-CHJDUVSTSA-N 0 0 509.606 6.813 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000009424598 553258857 /nfs/dbraw/zinc/25/88/57/553258857.db2.gz GZBPLOVFWVSVIA-XMMPIXPASA-N 0 0 520.379 5.041 50 30 KKEARN COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009425330 553259525 /nfs/dbraw/zinc/25/95/25/553259525.db2.gz WFJRKHQRRAXNDP-MHZLTWQESA-N 0 0 511.647 6.487 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009427533 553259827 /nfs/dbraw/zinc/25/98/27/553259827.db2.gz COLFFLHIHXVIMJ-MNNSJKJDSA-N 0 0 510.565 5.923 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009427385 553259884 /nfs/dbraw/zinc/25/98/84/553259884.db2.gz IQNFUEKLUZXRPT-HHHXNRCGSA-N 0 0 526.658 7.136 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000009434888 553263992 /nfs/dbraw/zinc/26/39/92/553263992.db2.gz YVBQQIOZDOUOJG-WBBHLRKXSA-N 0 0 515.569 6.805 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009457943 553266563 /nfs/dbraw/zinc/26/65/63/553266563.db2.gz CKKRNRARBDYHMZ-NDEPHWFRSA-N 0 0 529.589 5.424 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000009460797 553266944 /nfs/dbraw/zinc/26/69/44/553266944.db2.gz ZEMQXHJTSPXASY-LMKMVOKYSA-N 0 0 512.587 5.801 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009461111 553267328 /nfs/dbraw/zinc/26/73/28/553267328.db2.gz SZJGYRIMRWOKSB-PMERELPUSA-N 0 0 518.613 6.310 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009461538 553267804 /nfs/dbraw/zinc/26/78/04/553267804.db2.gz XPBBZNQUAROTBB-UHFFFAOYSA-N 0 0 514.618 6.730 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC ZINC000009462977 553268736 /nfs/dbraw/zinc/26/87/36/553268736.db2.gz OEKRHKGWHAHTAI-KOEQRZSOSA-N 0 0 519.022 5.305 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000009463306 553268887 /nfs/dbraw/zinc/26/88/87/553268887.db2.gz UFQSCUHBUJPFST-AREMUKBSSA-N 0 0 525.630 6.079 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463528 553269179 /nfs/dbraw/zinc/26/91/79/553269179.db2.gz OIIYWLPSTBOIBJ-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009471164 553269736 /nfs/dbraw/zinc/26/97/36/553269736.db2.gz WWCFLFGELILSNY-MMTVBGGISA-N 0 0 512.606 5.608 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccncc1 ZINC000009471427 553269930 /nfs/dbraw/zinc/26/99/30/553269930.db2.gz SQSIWWYVUHKRLQ-OGVWKLGRSA-N 0 0 521.705 7.860 50 30 KKEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000009488053 553273116 /nfs/dbraw/zinc/27/31/16/553273116.db2.gz ZJVSAODXPJYDIV-QHCPKHFHSA-N 0 0 500.963 6.371 50 30 KKEARN CCOc1c(Br)cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009497383 553274763 /nfs/dbraw/zinc/27/47/63/553274763.db2.gz GLXFVJYSZSBWDX-HSZRJFAPSA-N 0 0 531.491 5.473 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009504688 553275610 /nfs/dbraw/zinc/27/56/10/553275610.db2.gz SSGBEVMPKMVMTQ-GDLZYMKVSA-N 0 0 516.041 6.604 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009507077 553275735 /nfs/dbraw/zinc/27/57/35/553275735.db2.gz BFXXGAHJPHISAQ-LJAQVGFWSA-N 0 0 527.617 5.754 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009508058 553276005 /nfs/dbraw/zinc/27/60/05/553276005.db2.gz HXBGASXQYLUKRE-MHZLTWQESA-N 0 0 513.977 6.599 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)Nc4cccc(Cl)c4)nnc3c2CO1 ZINC000009510525 553276196 /nfs/dbraw/zinc/27/61/96/553276196.db2.gz ITYIWFVZPKEPSX-UHFFFAOYSA-N 0 0 519.030 5.580 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000009510938 553276366 /nfs/dbraw/zinc/27/63/66/553276366.db2.gz PXFLDFFHZYJPMO-ZOYWYXQUSA-N 0 0 502.589 7.349 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000009510941 553276374 /nfs/dbraw/zinc/27/63/74/553276374.db2.gz NFCXIDHYKKJBGH-SHACYNPGSA-N 0 0 514.559 5.117 50 30 KKEARN CCCCc1c/c(=N\OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000009531287 553277728 /nfs/dbraw/zinc/27/77/28/553277728.db2.gz HILUBMRDZDCMTO-IENMMRBYSA-N 0 0 526.674 6.466 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000009553342 553278382 /nfs/dbraw/zinc/27/83/82/553278382.db2.gz FEKWHYGUYGLAEW-QNLPTKCRSA-N 0 0 518.588 7.049 50 30 KKEARN COc1cc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000009553729 553278768 /nfs/dbraw/zinc/27/87/68/553278768.db2.gz FALBLUPVZYAUAF-FMFFXOCNSA-N 0 0 508.021 7.839 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000009554016 553278945 /nfs/dbraw/zinc/27/89/45/553278945.db2.gz MTNBBLALQPBGQW-DWACAAAGSA-N 0 0 507.074 6.499 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009556633 553279053 /nfs/dbraw/zinc/27/90/53/553279053.db2.gz BIDRPQOHMWAMNA-QFIPXVFZSA-N 0 0 514.603 5.948 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(F)c2)cc1OC ZINC000009598259 553284137 /nfs/dbraw/zinc/28/41/37/553284137.db2.gz XZKJPCMGDFFRMT-YKGWIAGDSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)cc2)cc1OC ZINC000009598250 553284143 /nfs/dbraw/zinc/28/41/43/553284143.db2.gz VDTQLSNGNXLDAL-WBBHLRKXSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2)cc1 ZINC000009598254 553284158 /nfs/dbraw/zinc/28/41/58/553284158.db2.gz NIZXVDULRSLZRA-YKGWIAGDSA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000009598287 553284305 /nfs/dbraw/zinc/28/43/05/553284305.db2.gz UBTLGXDPHRRRRM-XJFCNFDWSA-N 0 0 522.645 6.321 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000009601037 553286441 /nfs/dbraw/zinc/28/64/41/553286441.db2.gz GQLQRRCRASNKLL-GOOPYHEFSA-N 0 0 507.633 8.486 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000009614547 553290068 /nfs/dbraw/zinc/29/00/68/553290068.db2.gz IWQAWTPXQOOYKZ-MYLCPLCOSA-N 0 0 518.451 6.288 50 30 KKEARN CC(C)c1nc(N=NCc2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)cc(N(C)C)n1 ZINC000009635908 553291923 /nfs/dbraw/zinc/29/19/23/553291923.db2.gz XRTVLYHTVHKYEZ-QNKGDIEWSA-N 0 0 524.713 7.193 50 30 KKEARN COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000009635921 553292125 /nfs/dbraw/zinc/29/21/25/553292125.db2.gz UCZITECQZOFINN-GPNASLBKSA-N 0 0 516.597 6.611 50 30 KKEARN CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=N/NC(=S)NCc2ccccc2)c1 ZINC000009659319 553293034 /nfs/dbraw/zinc/29/30/34/553293034.db2.gz ZFVYODGQPDUWEQ-RDRPBHBLSA-N 0 0 526.500 5.776 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000009720713 553300772 /nfs/dbraw/zinc/30/07/72/553300772.db2.gz INYVRIUTAXZTLF-XGMHSBOJSA-N 0 0 509.027 6.178 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000009720403 553300787 /nfs/dbraw/zinc/30/07/87/553300787.db2.gz ZUQSHKMTXZJWIX-JPZYQRIQSA-N 0 0 523.007 7.694 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000009720986 553300895 /nfs/dbraw/zinc/30/08/95/553300895.db2.gz ZUQSHKMTXZJWIX-UGDMGKLASA-N 0 0 523.007 7.694 50 30 KKEARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000009720942 553300914 /nfs/dbraw/zinc/30/09/14/553300914.db2.gz FQWZQVCWTVKJFI-ZXQIJLNISA-N 0 0 509.077 7.950 50 30 KKEARN CCCOc1c(Br)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OCC ZINC000009731357 553302687 /nfs/dbraw/zinc/30/26/87/553302687.db2.gz KYTOMXPHFARBBQ-UHFFFAOYSA-N 0 0 502.449 6.070 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000009779767 553307359 /nfs/dbraw/zinc/30/73/59/553307359.db2.gz MWSRYWLQURSAFT-XIFFEERXSA-N 0 0 521.632 8.266 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000009805260 553308299 /nfs/dbraw/zinc/30/82/99/553308299.db2.gz CWRDDYDBLJWQQK-FZYZMVIOSA-N 0 0 530.621 6.099 50 30 KKEARN COc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1 ZINC000009846873 553312031 /nfs/dbraw/zinc/31/20/31/553312031.db2.gz KTGQXDVWCPCCTL-UHFFFAOYSA-N 0 0 520.014 5.857 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000009846896 553312075 /nfs/dbraw/zinc/31/20/75/553312075.db2.gz HZLOJGLLAITUIO-VWLOTQADSA-N 0 0 505.574 5.998 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000009861119 553313929 /nfs/dbraw/zinc/31/39/29/553313929.db2.gz OPCNTCMRCWQIHS-HXUWFJFHSA-N 0 0 517.221 5.213 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cc3ccc(C)cc3)o1)C[C@](C#N)(c1ccccc1)CC2 ZINC000009860892 553313932 /nfs/dbraw/zinc/31/39/32/553313932.db2.gz PMXCZZKQXLORJL-WJOKGBTCSA-N 0 0 524.642 6.620 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009861102 553313947 /nfs/dbraw/zinc/31/39/47/553313947.db2.gz CEKNSTJDYAZFON-QHCPKHFHSA-N 0 0 526.431 5.104 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3ccc(N(C)C)cc3)c2C(=O)Nc2ccc(OC)cc2)C1 ZINC000009907630 553316003 /nfs/dbraw/zinc/31/60/03/553316003.db2.gz OKZLRNBUHNMKMQ-LQKURTRISA-N 0 0 506.628 5.340 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000009907684 553316009 /nfs/dbraw/zinc/31/60/09/553316009.db2.gz QEQVMWYOJGCGLP-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)c(OC)c3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000009907686 553316033 /nfs/dbraw/zinc/31/60/33/553316033.db2.gz AAHLZXYRXAJAAG-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000009934349 553317863 /nfs/dbraw/zinc/31/78/63/553317863.db2.gz LRZCVOJQSGBSRK-RBBQXQBVSA-N 0 0 524.661 7.185 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn32)cc1OC ZINC000009942480 553319683 /nfs/dbraw/zinc/31/96/83/553319683.db2.gz HCYCAVZBYKIMII-NDEPHWFRSA-N 0 0 524.646 6.277 50 30 KKEARN COc1ccccc1C(=O)Oc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 ZINC000009971187 553322560 /nfs/dbraw/zinc/32/25/60/553322560.db2.gz PDPUBFLYHAFHQV-GKPLWNPISA-N 0 0 510.546 5.349 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009984801 553323565 /nfs/dbraw/zinc/32/35/65/553323565.db2.gz NLHVFWBISXKVCH-IBVKSMDESA-N 0 0 515.704 6.482 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCC(C)C)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000009985929 553323627 /nfs/dbraw/zinc/32/36/27/553323627.db2.gz RODLAKIJPNZOFY-DWXRJYCRSA-N 0 0 503.620 5.724 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCC(C)C)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000009985924 553323632 /nfs/dbraw/zinc/32/36/32/553323632.db2.gz RODLAKIJPNZOFY-HFJWLAOPSA-N 0 0 503.620 5.724 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009983953 553323650 /nfs/dbraw/zinc/32/36/50/553323650.db2.gz DJEOUOJQARWCCR-UQBPGWFLSA-N 0 0 501.677 6.174 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994301 553324702 /nfs/dbraw/zinc/32/47/02/553324702.db2.gz UCQATHMPIFSABC-MUUNZHRXSA-N 0 0 534.697 5.382 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013581 553326087 /nfs/dbraw/zinc/32/60/87/553326087.db2.gz NSOKTZRQSJAWKR-PPHZAIPVSA-N 0 0 504.964 6.619 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000010013551 553326107 /nfs/dbraw/zinc/32/61/07/553326107.db2.gz UQSYHAASEFULNB-WINIVTDRSA-N 0 0 504.964 6.619 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000010013636 553326159 /nfs/dbraw/zinc/32/61/59/553326159.db2.gz RCRXMDKEEATDLY-PIIWDFAUSA-N 0 0 512.581 5.843 50 30 KKEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000011617323 553339829 /nfs/dbraw/zinc/33/98/29/553339829.db2.gz GWSSUWQUPIZZEB-UHFFFAOYSA-N 0 0 515.620 5.034 50 30 KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)cc3OC)C4=O)c2c1 ZINC000011869206 553348254 /nfs/dbraw/zinc/34/82/54/553348254.db2.gz HDKDWFDBGGIONG-ZRGSRPPYSA-N 0 0 500.503 5.993 50 30 biogenic KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000011869080 553348301 /nfs/dbraw/zinc/34/83/01/553348301.db2.gz TZLSCLQMKUVQMS-MWLSYYOVSA-N 0 0 554.957 7.948 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012193695 553353872 /nfs/dbraw/zinc/35/38/72/553353872.db2.gz KMGPLSBCHWXAED-IXCJQBJRSA-N 0 0 517.467 7.554 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000012193689 553353881 /nfs/dbraw/zinc/35/38/81/553353881.db2.gz KMGPLSBCHWXAED-IAPPQJPRSA-N 0 0 517.467 7.554 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349637 553358839 /nfs/dbraw/zinc/35/88/39/553358839.db2.gz XNYXCXQGJBHJIX-UGDMGKLASA-N 0 0 523.654 7.303 50 30 KKEARN COc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCc1ccccc1 ZINC000012346825 553358858 /nfs/dbraw/zinc/35/88/58/553358858.db2.gz TXTNDKPSVUPXTG-HHHXNRCGSA-N 0 0 521.617 5.954 50 30 KKEARN C/C(=N/Oc1cccc(O/N=C(/C)c2ccc(Oc3ccccc3)cc2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000012350243 553359076 /nfs/dbraw/zinc/35/90/76/553359076.db2.gz NCLJFGTYRSGZMO-UKJDBFPPSA-N 0 0 529.596 8.272 50 30 KKEARN C/C(=N/N(C)c1ncc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000012350182 553359123 /nfs/dbraw/zinc/35/91/23/553359123.db2.gz ACTPXPGTXXMDKH-DBFSUHOCSA-N 0 0 561.369 6.150 50 30 KKEARN CC(NC1CCCCC1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccco1)(C(F)(F)F)C(F)(F)F ZINC000012362226 553359449 /nfs/dbraw/zinc/35/94/49/553359449.db2.gz RAOPINUPOWBJEU-DMKVLWIMSA-N 0 0 517.470 5.921 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000012384012 553362176 /nfs/dbraw/zinc/36/21/76/553362176.db2.gz BLRKVQDPTTZNAQ-AWEZNQCLSA-N 0 0 520.442 5.001 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000012384013 553362221 /nfs/dbraw/zinc/36/22/21/553362221.db2.gz BLRKVQDPTTZNAQ-CQSZACIVSA-N 0 0 520.442 5.001 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000012402695 553362801 /nfs/dbraw/zinc/36/28/01/553362801.db2.gz ROXODKDINPOFMP-LJAQVGFWSA-N 0 0 526.599 6.006 50 30 KKEARN CCOC(=O)C(C(=O)c1ccc(OC)cc1)=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 ZINC000012412146 553363730 /nfs/dbraw/zinc/36/37/30/553363730.db2.gz WQCVLIBSPMFLNO-SJCQXOIGSA-N 0 0 504.586 5.660 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000012413033 553364265 /nfs/dbraw/zinc/36/42/65/553364265.db2.gz NUIKJYLRGYAXQU-BERHBOFZSA-N 0 0 519.594 5.606 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@H]2c1cccc(Cl)c1 ZINC000012413048 553364276 /nfs/dbraw/zinc/36/42/76/553364276.db2.gz HEEVFTSCLNCCOL-WOVHNISZSA-N 0 0 506.023 6.112 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@H]1c1ccccc1OC)CCCC2 ZINC000012416448 553365043 /nfs/dbraw/zinc/36/50/43/553365043.db2.gz OZVKCROEGHCFHF-QHCPKHFHSA-N 0 0 506.624 5.029 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000012416363 553365092 /nfs/dbraw/zinc/36/50/92/553365092.db2.gz SUJSHHAROWEXNE-WGDIFIGCSA-N 0 0 518.610 5.905 50 30 KKEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2)sc2c1CCCC2 ZINC000012416433 553365100 /nfs/dbraw/zinc/36/51/00/553365100.db2.gz BTNYRNIEBUQBIE-JOCHJYFZSA-N 0 0 511.043 5.674 50 30 KKEARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000012468627 553367978 /nfs/dbraw/zinc/36/79/78/553367978.db2.gz ZKPKHULUBMSMCO-UVVVPPGDSA-N 0 0 522.454 5.931 50 30 KKEARN N#CCCN(C(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21)c1ccccc1 ZINC000012565542 553396600 /nfs/dbraw/zinc/39/66/00/553396600.db2.gz JHQXKIHDUCQHJW-UHFFFAOYSA-N 0 0 501.489 5.607 50 30 KKEARN C=CCN(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)C1(C(=O)Nc2ccccc2)CCCC1 ZINC000012618392 553403158 /nfs/dbraw/zinc/40/31/58/553403158.db2.gz RXXKTIMGHCWMHH-UHFFFAOYSA-N 0 0 509.606 5.182 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000012652389 553409988 /nfs/dbraw/zinc/40/99/88/553409988.db2.gz CPOJYNXPCLRADE-JPZYQRIQSA-N 0 0 504.586 6.811 50 30 KKEARN N#Cc1cc(C(=O)c2ccc(Br)cc2)[nH]c1Sc1ccccc1C(=O)NCc1ccco1 ZINC000012788673 553420811 /nfs/dbraw/zinc/42/08/11/553420811.db2.gz TZELPRZRYMZABA-UHFFFAOYSA-N 0 0 506.381 5.554 50 30 KKEARN COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2N1 ZINC000012845620 553421724 /nfs/dbraw/zinc/42/17/24/553421724.db2.gz PPCZDQMMNHULRJ-YLJYHZDGSA-N 0 0 501.534 5.616 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3cc(OC)c4c(c3)OCCO4)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000012888371 553426327 /nfs/dbraw/zinc/42/63/27/553426327.db2.gz DSQCWXIZUYXLAM-FQEVSTJZSA-N 0 0 503.595 5.123 50 30 biogenic KKEARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)c1 ZINC000012951633 553428766 /nfs/dbraw/zinc/42/87/66/553428766.db2.gz WKYCIGQDLLFJKZ-UHFFFAOYSA-N 0 0 573.593 5.350 50 30 KKEARN Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=C/C(=O)/C=C/c1cc(C(=O)c2ccc(Cl)cc2Cl)cn1C ZINC000012955820 553429561 /nfs/dbraw/zinc/42/95/61/553429561.db2.gz LDCVXRWCOVTFQY-KQQUZDAGSA-N 0 0 586.302 7.735 50 30 KKEARN O=C1C(=NNc2c(Cl)cc(Cl)cc2Cl)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000012956702 553429757 /nfs/dbraw/zinc/42/97/57/553429757.db2.gz QODVKOBTJNIATE-NDZAJKAJSA-N 0 0 533.164 7.682 50 30 KKEARN O=[N+]([O-])c1cc(/C(=N\OCc2ccc(Cl)cc2Cl)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)ccc1Cl ZINC000012958733 553430311 /nfs/dbraw/zinc/43/03/11/553430311.db2.gz YBAGEQMJQZKMAS-AASZASGBSA-N 0 0 519.768 7.008 50 30 KKEARN O=C(NC=NOCc1ccc(Cl)cc1Cl)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961405 553430984 /nfs/dbraw/zinc/43/09/84/553430984.db2.gz ZVWISFJUNCMPAR-NRFANRHFSA-N 0 0 567.782 7.017 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000013076141 553445103 /nfs/dbraw/zinc/44/51/03/553445103.db2.gz ZZFHNSUQYQFSEJ-INIZCTEOSA-N 0 0 503.930 5.231 50 30 KKEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1 ZINC000013098610 553447306 /nfs/dbraw/zinc/44/73/06/553447306.db2.gz CRDGUJSICKREOV-UHFFFAOYSA-N 0 0 510.591 6.085 50 30 KKEARN Cc1cccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3F)nnc2-c2c[nH]c3ccccc32)c1 ZINC000013098739 553447324 /nfs/dbraw/zinc/44/73/24/553447324.db2.gz HMTAVJDBDCUOAQ-UHFFFAOYSA-N 0 0 510.598 5.902 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1Cl ZINC000013138221 553453578 /nfs/dbraw/zinc/45/35/78/553453578.db2.gz VBRFYLBWYGKUIK-UHFFFAOYSA-N 0 0 521.422 5.644 50 30 KKEARN CC(=O)c1ccc(N=C2S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000013286137 553457800 /nfs/dbraw/zinc/45/78/00/553457800.db2.gz VXEMKNVFGXUFQW-CNPBBGJZSA-N 0 0 506.052 7.030 50 30 KKEARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000013286254 553457812 /nfs/dbraw/zinc/45/78/12/553457812.db2.gz MIFPEJSYZFFFLQ-HQAJQCFLSA-N 0 0 508.647 5.760 50 30 KKEARN O=C(/C=C/c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1)c1ccc(Br)cc1 ZINC000013512052 553467782 /nfs/dbraw/zinc/46/77/82/553467782.db2.gz IRJQRRSJIHPRGN-SBKXAGKASA-N 0 0 507.431 7.701 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1 ZINC000013512922 553467920 /nfs/dbraw/zinc/46/79/20/553467920.db2.gz XWPRLBBBQXODGJ-XVNONNMFSA-N 0 0 514.632 5.602 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000013551272 553470424 /nfs/dbraw/zinc/47/04/24/553470424.db2.gz OOUPVPAJAIXGKK-OAQYLSRUSA-N 0 0 506.580 5.037 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552531 553470913 /nfs/dbraw/zinc/47/09/13/553470913.db2.gz YKVPOMIZWSEFAO-JOCHJYFZSA-N 0 0 506.605 5.720 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000013571307 553473868 /nfs/dbraw/zinc/47/38/68/553473868.db2.gz BOUKOHSAJXXNNW-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000013573829 553474503 /nfs/dbraw/zinc/47/45/03/553474503.db2.gz NMBHXCHIVAKGKU-UHFFFAOYSA-N 0 0 505.477 7.178 50 30 KKEARN Nc1c2ccc(-c3ccc(Cl)cc3)nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000013574612 553474667 /nfs/dbraw/zinc/47/46/67/553474667.db2.gz ZSQCWFWCEJAZNR-SDNWHVSQSA-N 0 0 516.047 7.409 50 30 KKEARN O=C(C=Cc1ccco1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000013575166 553474885 /nfs/dbraw/zinc/47/48/85/553474885.db2.gz WCEOPJQLXBGLOU-WYMLVPIESA-N 0 0 519.553 5.892 50 30 KKEARN COc1cc(OC)c(OC)c(-c2cc(-c3ccccc3)nc(Sc3ncccc3[N+](=O)[O-])c2C#N)c1 ZINC000013575944 553475084 /nfs/dbraw/zinc/47/50/84/553475084.db2.gz QPPDYIPXCZSQRA-UHFFFAOYSA-N 0 0 500.536 5.767 50 30 KKEARN N#CC(C#N)C[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1 ZINC000013598852 553477431 /nfs/dbraw/zinc/47/74/31/553477431.db2.gz YTSQGXDHOXDDRS-FRXPANAUSA-N 0 0 505.618 5.154 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Cl)cc3)n1C1CCCCC1)-c1ccccc1CC21CCCCC1 ZINC000013764830 553488990 /nfs/dbraw/zinc/48/89/90/553488990.db2.gz GDRIMQGOAKZKAS-UZWMFBFFSA-N 0 0 501.074 7.273 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H](CC)CCCC)C2=O)cc1 ZINC000013809690 553491997 /nfs/dbraw/zinc/49/19/97/553491997.db2.gz PLSJSVJGPWFSMX-CSYCHJTNSA-N 0 0 531.747 7.522 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000013893214 553494430 /nfs/dbraw/zinc/49/44/30/553494430.db2.gz GPJHBWFOIFMUSH-DFXYEROKSA-N 0 0 524.617 7.110 50 30 KKEARN CCOc1cc(C=NNc2ccccc2)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000013914205 553495463 /nfs/dbraw/zinc/49/54/63/553495463.db2.gz VFRRXBNUPIGUFL-MFKUBSTISA-N 0 0 515.351 5.153 50 30 KKEARN C/C(=N\OCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1)c1cccs1 ZINC000013940188 553496162 /nfs/dbraw/zinc/49/61/62/553496162.db2.gz UZWQIIZASCLXAG-PPOKSSTKSA-N 0 0 522.674 7.640 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000013942363 553496669 /nfs/dbraw/zinc/49/66/69/553496669.db2.gz KWRJFZPKIVANFI-ITYLOYPMSA-N 0 0 522.091 6.928 50 30 KKEARN COc1ccc(-c2oc(/N=C/N(Cc3ccccc3)Cc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000013943244 553497028 /nfs/dbraw/zinc/49/70/28/553497028.db2.gz UHUIDGIFFQVYJW-XBQJKBNESA-N 0 0 527.624 7.865 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2Cl)SC1=S ZINC000013943471 553497063 /nfs/dbraw/zinc/49/70/63/553497063.db2.gz DQNGZWABURYNQU-UYRXBGFRSA-N 0 0 510.862 5.948 50 30 KKEARN C=CCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000014358133 553512815 /nfs/dbraw/zinc/51/28/15/553512815.db2.gz AZOJJFQOHTXWDY-UHFFFAOYSA-N 0 0 507.704 5.315 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3c(-c4ccc(Cl)cc4Cl)nc4ccccn43)o2)c1 ZINC000014920351 553521269 /nfs/dbraw/zinc/52/12/69/553521269.db2.gz VHVDUZLKKYNENU-XODNFHPESA-N 0 0 511.752 7.880 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000014944117 553521760 /nfs/dbraw/zinc/52/17/60/553521760.db2.gz WWWRZGSZZCSVQG-JVAFGIKQSA-N 0 0 519.594 5.606 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000014944737 553521912 /nfs/dbraw/zinc/52/19/12/553521912.db2.gz NUIKJYLRGYAXQU-VHSZZVNMSA-N 0 0 519.594 5.606 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000015134672 553528236 /nfs/dbraw/zinc/52/82/36/553528236.db2.gz IDVPFEBRTVSPHK-BRJPVCAASA-N 0 0 510.391 8.234 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1OC ZINC000015304369 553530983 /nfs/dbraw/zinc/53/09/83/553530983.db2.gz MVMJZIUPTJWKTH-NJDIQBRYSA-N 0 0 515.404 5.087 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000016035105 553551783 /nfs/dbraw/zinc/55/17/83/553551783.db2.gz VAZDHWAZPIYUOX-MWGIVGCISA-N 0 0 512.028 6.666 50 30 KKEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc5ccccc5c4)cc3)S2)cc1 ZINC000016157799 553555586 /nfs/dbraw/zinc/55/55/86/553555586.db2.gz TZYMUWPWBAIERL-XYGWBWBKSA-N 0 0 516.600 5.508 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] ZINC000016294261 553559620 /nfs/dbraw/zinc/55/96/20/553559620.db2.gz JQWOXANMODTRAS-YRTUYQHASA-N 0 0 520.557 5.126 50 30 KKEARN Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccc(Br)cc2)n1-c1ccc(Br)cc1 ZINC000016310399 553559742 /nfs/dbraw/zinc/55/97/42/553559742.db2.gz FVVBQUOPPFHIBP-LGJNPRDNSA-N 0 0 514.221 5.635 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000016381935 553561534 /nfs/dbraw/zinc/56/15/34/553561534.db2.gz SDZGAGAGEDDPFT-UHFFFAOYSA-N 0 0 501.494 5.734 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000016487147 553566017 /nfs/dbraw/zinc/56/60/17/553566017.db2.gz RFOLUKLUUATSQX-PMERELPUSA-N 0 0 500.708 6.673 50 30 KKEARN CC[C@@H](C)Oc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000016610408 553569389 /nfs/dbraw/zinc/56/93/89/553569389.db2.gz KCZNMSPPSVPATF-STROWHEOSA-N 0 0 500.064 5.978 50 30 KKEARN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 ZINC000016648374 553570825 /nfs/dbraw/zinc/57/08/25/553570825.db2.gz DTCJYJKACIJQQR-UHFFFAOYSA-N 0 0 507.638 5.945 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)cc1C ZINC000016713679 553575170 /nfs/dbraw/zinc/57/51/70/553575170.db2.gz XWYCTOVCWNDDPA-BWAHOGKJSA-N 0 0 519.692 6.040 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OC)cc3)n2)cc1 ZINC000016728933 553575320 /nfs/dbraw/zinc/57/53/20/553575320.db2.gz KSJKBPXBGCXHNS-UHFFFAOYSA-N 0 0 515.557 6.557 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCC)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000016729075 553575555 /nfs/dbraw/zinc/57/55/55/553575555.db2.gz CNYQIRKUTUFWSN-UHFFFAOYSA-N 0 0 501.530 6.167 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016729921 553576039 /nfs/dbraw/zinc/57/60/39/553576039.db2.gz PTZZGIKQEHVYOC-MUUNZHRXSA-N 0 0 533.621 6.425 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016729957 553576066 /nfs/dbraw/zinc/57/60/66/553576066.db2.gz XAUZFFSNTAZRKB-LJAQVGFWSA-N 0 0 528.649 6.608 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016729944 553576141 /nfs/dbraw/zinc/57/61/41/553576141.db2.gz CSGVPFXMNVKXPH-YTMVLYRLSA-N 0 0 527.617 6.415 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016729988 553576343 /nfs/dbraw/zinc/57/63/43/553576343.db2.gz TXUZIRZGSAPCSH-MHZLTWQESA-N 0 0 503.595 6.416 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000016730009 553576352 /nfs/dbraw/zinc/57/63/52/553576352.db2.gz JFCVCUSWCNPTDR-HHHXNRCGSA-N 0 0 503.595 6.416 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731248 553577081 /nfs/dbraw/zinc/57/70/81/553577081.db2.gz CPHJGLUPRZFWHY-MUUNZHRXSA-N 0 0 524.548 5.587 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)ccc1OCCC(C)C ZINC000016735876 553578824 /nfs/dbraw/zinc/57/88/24/553578824.db2.gz PZOLFNOPIDDWFN-UHFFFAOYSA-N 0 0 513.585 7.103 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000016736511 553579064 /nfs/dbraw/zinc/57/90/64/553579064.db2.gz ZIXOVIOHAYCLJK-SANMLTNESA-N 0 0 527.646 6.516 50 30 KKEARN CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccc(C)cc2)cc1OCC ZINC000016741714 553580059 /nfs/dbraw/zinc/58/00/59/553580059.db2.gz CUXBFMPILOLJLE-VWLOTQADSA-N 0 0 525.667 5.541 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016750135 553580655 /nfs/dbraw/zinc/58/06/55/553580655.db2.gz RUCRDBMCIASIPX-HHHXNRCGSA-N 0 0 514.578 5.200 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccncc1 ZINC000016788620 553582105 /nfs/dbraw/zinc/58/21/05/553582105.db2.gz ADQGPLIVOFGRQM-UHFFFAOYSA-N 0 0 512.664 6.232 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000016807376 553583518 /nfs/dbraw/zinc/58/35/18/553583518.db2.gz DXRZUGNFOFOZCH-SANMLTNESA-N 0 0 527.646 6.660 50 30 KKEARN COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000017028031 553586944 /nfs/dbraw/zinc/58/69/44/553586944.db2.gz XEDUAZAMCOWNNS-GDLZYMKVSA-N 0 0 501.026 6.734 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000017028937 553587004 /nfs/dbraw/zinc/58/70/04/553587004.db2.gz VECBMELOEXSNLQ-ACSYHNTCSA-N 0 0 513.550 5.533 50 30 KKEARN O=C(/C=C/c1cc2c(cc1Br)OCO2)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000017042491 553587179 /nfs/dbraw/zinc/58/71/79/553587179.db2.gz KALMFZYZYYSXCK-RMKNXTFCSA-N 0 0 508.755 6.236 50 30 KKEARN CC(C)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113625 553588257 /nfs/dbraw/zinc/58/82/57/553588257.db2.gz RQEJXHCOOKBMRW-JOCHJYFZSA-N 0 0 502.596 6.071 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3ccccc3)C[C@H]4C(F)(F)F)sc2C1 ZINC000017130912 553588445 /nfs/dbraw/zinc/58/84/45/553588445.db2.gz XLYNOCUQHCNVHY-PUECVXPYSA-N 0 0 519.980 6.507 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242328 553590933 /nfs/dbraw/zinc/59/09/33/553590933.db2.gz YLVVPIASAKMSIF-NRFANRHFSA-N 0 0 518.595 5.592 50 30 KKEARN CC(C)=NOC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575462 553591185 /nfs/dbraw/zinc/59/11/85/553591185.db2.gz KAYBKEWGKUMREV-IYSWYEEDSA-N 0 0 551.149 5.798 50 30 KKEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(NC(=O)c4ccco4)cc3)S2(=O)=O)cc1 ZINC000020132753 553591980 /nfs/dbraw/zinc/59/19/80/553591980.db2.gz ZGMUYVPAKBTWDK-YZSQISJMSA-N 0 0 513.575 5.327 50 30 KKEARN CCCCCCCCCCCCCCCCNc1c2cc(Br)ccc2nc2c1C(=O)CC(C)(C)C2 ZINC000068589092 553592068 /nfs/dbraw/zinc/59/20/68/553592068.db2.gz DGZJFZBNOFGIHH-UHFFFAOYSA-N 0 0 543.634 10.046 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000020149733 553594524 /nfs/dbraw/zinc/59/45/24/553594524.db2.gz KYNXMUCTYHCXFX-KQKQTWRPSA-N 0 0 510.030 6.148 50 30 biogenic,in-vitro KKEARN CCCCCCCCCCCCCCCC(=O)N1CC[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)C12CCCC2 ZINC000070665217 553595838 /nfs/dbraw/zinc/59/58/38/553595838.db2.gz KNCDANLTTDIHTD-LHEWISCISA-N 0 0 570.862 9.498 50 30 biogenic KKEARN O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000017527558 553597120 /nfs/dbraw/zinc/59/71/20/553597120.db2.gz HIMHYBPSRGZFFG-UHFFFAOYSA-N 0 0 552.428 5.904 50 30 KKEARN CCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070665849 553597211 /nfs/dbraw/zinc/59/72/11/553597211.db2.gz BVMVRPVYRJQROP-RRUZXMLMSA-N 0 0 556.872 9.095 50 30 biogenic KKEARN C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000017729782 553599256 /nfs/dbraw/zinc/59/92/56/553599256.db2.gz URPIZUBLFQVPTE-UHFFFAOYSA-N 0 0 501.460 6.983 50 30 KKEARN CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000070669965 553599720 /nfs/dbraw/zinc/59/97/20/553599720.db2.gz AXSCNRMAPANNID-QBROEMLDSA-N 0 0 508.740 7.169 50 30 biogenic KKEARN C/C(=N\N=C1c2ccccc2-c2ccccc21)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000020157584 553600371 /nfs/dbraw/zinc/60/03/71/553600371.db2.gz YLPJCCBCBHOOIM-HBHSWBPBSA-N 0 0 507.409 6.700 50 30 KKEARN COc1ccc(/C=N/c2ccc(-c3ccc(/N=C\c4ccc(OC)cc4OC)c(C)c3)cc2C)c(OC)c1 ZINC000018042746 553601962 /nfs/dbraw/zinc/60/19/62/553601962.db2.gz NXQQRTXATGWEHN-SMVCDFMASA-N 0 0 508.618 7.506 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccsc2)cc1OC ZINC000018081088 553603363 /nfs/dbraw/zinc/60/33/63/553603363.db2.gz NAILFDFOMGCLEV-RBTNQOKQSA-N 0 0 514.647 6.074 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000070673527 553603682 /nfs/dbraw/zinc/60/36/82/553603682.db2.gz MHFJRRFBLLMGGM-KRZZXNESSA-N 0 0 602.731 8.096 50 30 KKEARN C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Br)ccc1O ZINC000070680410 553604341 /nfs/dbraw/zinc/60/43/41/553604341.db2.gz IAIZGBXRIOZYIU-QVDLXFCQSA-N 0 0 544.530 6.011 50 30 biogenic KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000018101436 553604399 /nfs/dbraw/zinc/60/43/99/553604399.db2.gz VMMHRLAQOLUHGZ-UDNBHOFDSA-N 0 0 524.661 6.922 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000018105960 553604477 /nfs/dbraw/zinc/60/44/77/553604477.db2.gz KFWHLJAZLWQBRL-IJAHGLKVSA-N 0 0 528.652 7.576 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000018107271 553604481 /nfs/dbraw/zinc/60/44/81/553604481.db2.gz GBLGNSPSWHIAMN-QNLPTKCRSA-N 0 0 509.650 6.462 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(F)cc1 ZINC000018116534 553605090 /nfs/dbraw/zinc/60/50/90/553605090.db2.gz WJOUFJCMEFCKJO-UVZMICEWSA-N 0 0 513.657 7.121 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000018120780 553605435 /nfs/dbraw/zinc/60/54/35/553605435.db2.gz ATYGMMWVHMLBQD-PMERELPUSA-N 0 0 537.660 6.220 50 30 KKEARN CCCCCCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000070687125 553606204 /nfs/dbraw/zinc/60/62/04/553606204.db2.gz OBGKIAMSDPWRLM-PMERELPUSA-N 0 0 516.642 5.507 50 30 biogenic KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000018154614 553606336 /nfs/dbraw/zinc/60/63/36/553606336.db2.gz CZJPLLGGDUWVIZ-DCFHFQCYSA-N 0 0 517.551 6.409 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070687836 553607606 /nfs/dbraw/zinc/60/76/06/553607606.db2.gz PKAPKLCGHVIAEA-HVYVSMCVSA-N 0 0 598.869 6.889 50 30 biogenic KKEARN O=C(Nc1cccc(C(F)(F)F)c1)N1C(=O)C(=NNc2ccccc2)c2cc(Br)ccc21 ZINC000018192670 553608344 /nfs/dbraw/zinc/60/83/44/553608344.db2.gz HSQYKIMUMVLDKM-CEUNXORHSA-N 0 0 503.278 5.863 50 30 KKEARN CC[C@H]1CCc2c(sc(/N=C/c3ccc(OC)c(OCc4ccc(C)cc4)c3)c2C(=O)NC2CC2)C1 ZINC000018196211 553608645 /nfs/dbraw/zinc/60/86/45/553608645.db2.gz HIBKBFZZDKIXCS-DGAZYVLHSA-N 0 0 502.680 6.802 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000018198001 553608905 /nfs/dbraw/zinc/60/89/05/553608905.db2.gz BMLMCVQEOBMESK-PZGXJGMVSA-N 0 0 508.578 5.290 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000018200294 553609985 /nfs/dbraw/zinc/60/99/85/553609985.db2.gz QFHGQZMFDSGCSI-OPAMFIHVSA-N 0 0 507.468 5.615 50 30 KKEARN CC(C)(C)c1cc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(C(C)(C)C)c1O ZINC000018200773 553610160 /nfs/dbraw/zinc/61/01/60/553610160.db2.gz NVPHQYIHRYXKSO-SPLOXXLWSA-N 0 0 519.667 5.384 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccs3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000018211813 553610756 /nfs/dbraw/zinc/61/07/56/553610756.db2.gz CUNFJWUEJQHHNU-PQHDRGKASA-N 0 0 509.653 5.706 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000018244246 553611073 /nfs/dbraw/zinc/61/10/73/553611073.db2.gz CIQGUNRERSRGKF-SANMLTNESA-N 0 0 521.608 7.719 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018250756 553611591 /nfs/dbraw/zinc/61/15/91/553611591.db2.gz QPJFBALCNWJORW-UVDDSOTQSA-N 0 0 527.596 7.215 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C(=C/c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697800 553613351 /nfs/dbraw/zinc/61/33/51/553613351.db2.gz SLEOSPFLNGKQLW-XMAJNESQSA-N 0 0 592.908 11.469 50 30 biogenic KKEARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697719 553613377 /nfs/dbraw/zinc/61/33/77/553613377.db2.gz OSBLCQUEJHTRHA-KQDKTYLCSA-N 0 0 549.708 5.111 50 30 biogenic KKEARN CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CCC)C[C@@]21C ZINC000070697862 553613399 /nfs/dbraw/zinc/61/33/99/553613399.db2.gz QKTADHMUJJPNMQ-RHAPJLOSSA-N 0 0 602.740 5.949 50 30 biogenic KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000019706973 553615325 /nfs/dbraw/zinc/61/53/25/553615325.db2.gz FEJUFSNFABGSRS-UHFFFAOYSA-N 0 0 513.569 5.372 50 30 KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070699133 553615554 /nfs/dbraw/zinc/61/55/54/553615554.db2.gz SDHVZZNSELMHOH-UQHCFJPNSA-N 0 0 575.750 5.455 50 30 biogenic KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019798579 553617163 /nfs/dbraw/zinc/61/71/63/553617163.db2.gz FBXRCVPFHWSREI-MYUZEXMDSA-N 0 0 505.998 5.916 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019805200 553617772 /nfs/dbraw/zinc/61/77/72/553617772.db2.gz IWOBKQLCOYLACN-PZGXJGMVSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019806069 553617775 /nfs/dbraw/zinc/61/77/75/553617775.db2.gz CIMUJSITVYCXNO-QABMSTFYSA-N 0 0 509.602 5.809 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000019804632 553617781 /nfs/dbraw/zinc/61/77/81/553617781.db2.gz MACYDBKOMWIUJE-DEOSSOPVSA-N 0 0 516.391 5.770 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000019830907 553622668 /nfs/dbraw/zinc/62/26/68/553622668.db2.gz AKAYTSNDHHNYMC-DOUBQNQPSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000019832345 553622915 /nfs/dbraw/zinc/62/29/15/553622915.db2.gz VNMRREGCGJJBHU-CLOONOSVSA-N 0 0 510.428 5.771 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019848615 553623598 /nfs/dbraw/zinc/62/35/98/553623598.db2.gz FNOWZTMNFWPNII-SSOJOUAXSA-N 0 0 512.002 5.291 50 30 biogenic,in-vitro KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019848617 553623677 /nfs/dbraw/zinc/62/36/77/553623677.db2.gz FNOWZTMNFWPNII-CRICUBBOSA-N 0 0 512.002 5.291 50 30 biogenic,in-vitro KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019848737 553623838 /nfs/dbraw/zinc/62/38/38/553623838.db2.gz XLUZFRMFDZZCMI-PWUYWRBVSA-N 0 0 508.574 5.742 50 30 KKEARN C=CCNC(=O)C(=O)c1c(-c2ccccc2)c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3ccn12 ZINC000070704842 553623855 /nfs/dbraw/zinc/62/38/55/553623855.db2.gz IARIJDRANICNBI-UHFFFAOYSA-N 0 0 550.611 5.946 50 30 biogenic KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000019848854 553623897 /nfs/dbraw/zinc/62/38/97/553623897.db2.gz HFIQWQANEHIAQI-YIGJPRQDSA-N 0 0 517.569 5.851 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019858222 553628851 /nfs/dbraw/zinc/62/88/51/553628851.db2.gz HMGRBYFAVRKIJP-SXSPYAJSSA-N 0 0 511.615 5.381 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000019889759 553629787 /nfs/dbraw/zinc/62/97/87/553629787.db2.gz HLYIOLBXWMWQFF-NRFANRHFSA-N 0 0 500.824 5.740 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1 ZINC000019892271 553630594 /nfs/dbraw/zinc/63/05/94/553630594.db2.gz ZQXNOIAHHQONPH-HRFSGMKKSA-N 0 0 525.642 5.501 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000019892561 553631142 /nfs/dbraw/zinc/63/11/42/553631142.db2.gz NNWPIPOCMLOGSV-ZTOMLWHTSA-N 0 0 535.637 5.044 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019892639 553631384 /nfs/dbraw/zinc/63/13/84/553631384.db2.gz XKHBEVUNBSZZQV-NFQMXDRXSA-N 0 0 525.642 5.501 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000019899437 553632554 /nfs/dbraw/zinc/63/25/54/553632554.db2.gz JHRDYEZITUIHKY-DNQXCXABSA-N 0 0 505.614 6.192 50 30 KKEARN Oc1ccc(Br)cc1C(C[C@@H](NNc1ccccc1)c1ccc(Cl)cc1)=NNc1ccccc1 ZINC000071382550 553635419 /nfs/dbraw/zinc/63/54/19/553635419.db2.gz DRGGNGHZTGEFMB-OOCQWHAFSA-N 0 0 535.873 7.372 50 30 KKEARN C(#CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000071782908 553637107 /nfs/dbraw/zinc/63/71/07/553637107.db2.gz CWJXVKPVAALECT-UHFFFAOYSA-N 0 0 510.680 9.059 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020324268 553638251 /nfs/dbraw/zinc/63/82/51/553638251.db2.gz ZWACNLIJRQNJHX-YIGJPRQDSA-N 0 0 512.400 5.126 50 30 KKEARN CCOC(=O)C1=C(C)NC(Cl)=C(/C=N/OCc2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000020405651 553645703 /nfs/dbraw/zinc/64/57/03/553645703.db2.gz ORTICHOWUNXXMC-XHDTVTNOSA-N 0 0 514.236 6.824 50 30 KKEARN COc1c2c(cc3c1[C@H](C#CCOc1cc4c(cc1C(C)(C)C)oc1c4CCCC1)N(C)CC3)OCO2 ZINC000020410578 553646011 /nfs/dbraw/zinc/64/60/11/553646011.db2.gz DWNLKPNALZNWCU-QHCPKHFHSA-N 0 0 501.623 5.958 50 30 biogenic KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1nc(SC23CC4CC(CC(C4)C2)C3)ns1 ZINC000020436616 553648596 /nfs/dbraw/zinc/64/85/96/553648596.db2.gz OHLBNTNDQJHYLR-UHFFFAOYSA-N 0 0 504.706 6.874 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000077293274 553660198 /nfs/dbraw/zinc/66/01/98/553660198.db2.gz QWSRVJGBAIRGMP-UHFFFAOYSA-N 0 0 585.741 9.086 50 30 in-vitro KKEARN O=C(Nc1ccccc1C(F)(F)F)c1ccsc1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020494853 553667283 /nfs/dbraw/zinc/66/72/83/553667283.db2.gz ORGPGKKZQAAVNO-XKJRVUDJSA-N 0 0 509.336 8.337 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000020568758 553673906 /nfs/dbraw/zinc/67/39/06/553673906.db2.gz VDFYVKCSGKVSBI-MUUNZHRXSA-N 0 0 512.572 5.964 50 30 KKEARN CCCc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)CC)C4)c3ccccc3n2)cc1 ZINC000020568588 553673927 /nfs/dbraw/zinc/67/39/27/553673927.db2.gz IHDJWGRGQZHRRE-HSZRJFAPSA-N 0 0 521.730 8.581 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000020568840 553674327 /nfs/dbraw/zinc/67/43/27/553674327.db2.gz PHSLRZRIHKCIII-OSOCVKALSA-N 0 0 507.652 5.619 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccccc1 ZINC000020070015 553675998 /nfs/dbraw/zinc/67/59/98/553675998.db2.gz ADHSEAIYCMRJHP-MUUNZHRXSA-N 0 0 506.524 5.236 50 30 KKEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(OC)c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1OC ZINC000085877285 553688925 /nfs/dbraw/zinc/68/89/25/553688925.db2.gz NRGHZVKJJRQISM-OAQYLSRUSA-N 0 0 528.557 5.882 50 30 biogenic KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(C)c1C)C[C@](C)(c1cccnc1)O2 ZINC000020685943 553688992 /nfs/dbraw/zinc/68/89/92/553688992.db2.gz BTAVHLQCOSKRHW-LLJYRHCUSA-N 0 0 518.639 5.029 50 30 KKEARN O=C(Nc1ccc(I)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095100592 553698954 /nfs/dbraw/zinc/69/89/54/553698954.db2.gz MFVQKEUHAKKDSB-UHFFFAOYSA-N 0 0 665.081 7.239 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1OC ZINC000020850020 553699570 /nfs/dbraw/zinc/69/95/70/553699570.db2.gz YSNWMXFCXPCILO-HSZRJFAPSA-N 0 0 521.599 5.154 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn32)cc1OC ZINC000020850023 553699610 /nfs/dbraw/zinc/69/96/10/553699610.db2.gz YSNWMXFCXPCILO-QHCPKHFHSA-N 0 0 521.599 5.154 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c(C)c1 ZINC000020850677 553699923 /nfs/dbraw/zinc/69/99/23/553699923.db2.gz XTBLDZYGRKYATD-QHCPKHFHSA-N 0 0 523.500 6.608 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000095346202 553700972 /nfs/dbraw/zinc/70/09/72/553700972.db2.gz UQKSHNWUUXECPW-RUZDIDTESA-N 0 0 522.045 5.901 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccco5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471793 553701334 /nfs/dbraw/zinc/70/13/34/553701334.db2.gz MPAPPMPDRHHDIF-HAIDSIHCSA-N 0 0 518.782 8.732 50 30 KKEARN N#Cc1c(OCC(F)(F)F)ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OCC(F)(F)F ZINC000095660899 553706794 /nfs/dbraw/zinc/70/67/94/553706794.db2.gz VBWDDTXHZDETHX-UHFFFAOYSA-N 0 0 554.287 6.730 50 30 KKEARN FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671266 553707210 /nfs/dbraw/zinc/70/72/10/553707210.db2.gz IMVVEWPCRIJQCA-UHFFFAOYSA-N 0 0 500.070 7.073 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095676668 553707266 /nfs/dbraw/zinc/70/72/66/553707266.db2.gz LNNWSUTUIVJKDJ-UHFFFAOYSA-N 0 0 632.126 7.232 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671303 553707269 /nfs/dbraw/zinc/70/72/69/553707269.db2.gz KOOXQXFAIXTUHZ-UHFFFAOYSA-N 0 0 800.137 9.435 50 30 KKEARN FC(F)(F)C(F)(F)C1(F)C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)[C@](F)(C(F)(F)F)C1(F)F ZINC000095676672 553707293 /nfs/dbraw/zinc/70/72/93/553707293.db2.gz OPBDICCMIAULLE-HRFVKAFMSA-N 0 0 500.070 6.353 50 30 KKEARN OCCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676722 553707477 /nfs/dbraw/zinc/70/74/77/553707477.db2.gz MQUNHCVXSGLKTJ-UHFFFAOYSA-N 0 0 538.263 6.502 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095681776 553707847 /nfs/dbraw/zinc/70/78/47/553707847.db2.gz VRJGWRPPKVEMMR-UHFFFAOYSA-N 0 0 595.965 7.024 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000095682023 553707976 /nfs/dbraw/zinc/70/79/76/553707976.db2.gz ZXGXTPKJPUDICA-UHFFFAOYSA-N 0 0 610.708 8.614 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095682028 553707990 /nfs/dbraw/zinc/70/79/90/553707990.db2.gz POFXNOHVAKKASZ-OTWZMJIISA-N 0 0 676.116 6.870 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]n1 ZINC000095686662 553708288 /nfs/dbraw/zinc/70/82/88/553708288.db2.gz MWEVZBCRQDLSLM-UHFFFAOYSA-N 0 0 704.143 8.800 50 30 KKEARN FC(F)(F)c1ccc(N=NC(N=Nc2ccc(C(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000095686738 553708289 /nfs/dbraw/zinc/70/82/89/553708289.db2.gz BIBHBUFTXLTXGV-BIXRTOBSSA-N 0 0 539.789 8.349 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095682030 553708292 /nfs/dbraw/zinc/70/82/92/553708292.db2.gz POFXNOHVAKKASZ-ZXEDONINSA-N 0 0 676.116 6.870 50 30 KKEARN CO/N=C1\CC(C)(C)Cc2c(-c3ccn(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)sc(SC)c21 ZINC000095696337 553708438 /nfs/dbraw/zinc/70/84/38/553708438.db2.gz KXOJLTFPJQZSQR-KBVAKVRCSA-N 0 0 597.628 6.931 50 30 KKEARN CCCCCCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1C(F)(F)F ZINC000095703761 553708915 /nfs/dbraw/zinc/70/89/15/553708915.db2.gz VPMAKVHMJICXCL-UHFFFAOYSA-N 0 0 567.121 8.744 50 30 KKEARN COc1c(Br)cc(C(=N)NOC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)cc1Br ZINC000095704534 553709031 /nfs/dbraw/zinc/70/90/31/553709031.db2.gz PKXZRMVKQQVLAQ-UHFFFAOYSA-N 0 0 593.059 6.359 50 30 KKEARN CCCCCCCCCCCCSCc1nc(-c2cc(Br)c(OC)c(Br)c2)no1 ZINC000095704532 553709042 /nfs/dbraw/zinc/70/90/42/553709042.db2.gz IPKOTUKAQSKWAX-UHFFFAOYSA-N 0 0 548.385 8.424 50 30 KKEARN O=C(c1ccc(F)cc1F)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000095704641 553709217 /nfs/dbraw/zinc/70/92/17/553709217.db2.gz HCYDZAHKHALXGL-UHFFFAOYSA-N 0 0 501.395 5.286 50 30 KKEARN C=CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707639 553709431 /nfs/dbraw/zinc/70/94/31/553709431.db2.gz VBSGTAMERRWOSX-UHFFFAOYSA-N 0 0 520.248 7.305 50 30 KKEARN FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095707859 553709434 /nfs/dbraw/zinc/70/94/34/553709434.db2.gz UUDAHXKFALCGJQ-UHFFFAOYSA-N 0 0 562.413 6.658 50 30 KKEARN CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCCCCCCCC)ccc1-2 ZINC000095725720 553710817 /nfs/dbraw/zinc/71/08/17/553710817.db2.gz HNOJXYSJJAHNSA-UHFFFAOYSA-N 0 0 618.906 7.736 50 30 biogenic KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1N1C(=O)ON(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl ZINC000095742659 553712195 /nfs/dbraw/zinc/71/21/95/553712195.db2.gz UTQUKMIOXGKULL-HSZRJFAPSA-N 0 0 569.659 8.994 50 30 KKEARN FC(F)(F)c1cc(N=CC=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000095742930 553712623 /nfs/dbraw/zinc/71/26/23/553712623.db2.gz TZQCBQZTZIYZTI-JFMUPIIFSA-N 0 0 604.822 10.271 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000096022260 553720411 /nfs/dbraw/zinc/72/04/11/553720411.db2.gz XTCHJVALTQCPLO-CYYJNZCTSA-N 0 0 571.523 6.612 50 30 KKEARN O=C(Nc1cccc(/N=C\c2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccccc1Cl ZINC000096026161 553723652 /nfs/dbraw/zinc/72/36/52/553723652.db2.gz ABRDQBARZHHBCI-LQNQUEJISA-N 0 0 519.826 7.402 50 30 KKEARN COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000022170742 553727411 /nfs/dbraw/zinc/72/74/11/553727411.db2.gz OPCHRDGCKYESHK-GOXGLGGOSA-N 0 0 500.598 6.906 50 30 KKEARN CCN1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(C#N)c2Cl)CC1 ZINC000096292467 553746492 /nfs/dbraw/zinc/74/64/92/553746492.db2.gz ROZLWTWKRJKXNF-HHHXNRCGSA-N 0 0 529.059 6.040 50 30 KKEARN C(#CCN1CCN(CC#CCOCCOC(c2ccccc2)c2ccccc2)CC1)COCCOC(c1ccccc1)c1ccccc1 ZINC000022789570 553750208 /nfs/dbraw/zinc/75/02/08/553750208.db2.gz NDHASKCDRRNZOV-UHFFFAOYSA-N 0 0 642.840 6.256 50 30 KKEARN O=C(C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)c1ccccc1)c1ccccc1 ZINC000022825115 553752543 /nfs/dbraw/zinc/75/25/43/553752543.db2.gz CPLJTZIOYFWKJH-UHFFFAOYSA-N 0 0 502.320 6.767 50 30 KKEARN Cc1ccsc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000096592611 553756374 /nfs/dbraw/zinc/75/63/74/553756374.db2.gz CBEWHEWLKACGLQ-NRFANRHFSA-N 0 0 508.993 6.971 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cccc(Cl)c3N2[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000096602457 553756947 /nfs/dbraw/zinc/75/69/47/553756947.db2.gz QZZZZIXCQPOXGF-OYRHQHFDSA-N 0 0 514.810 6.387 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000097939534 553759674 /nfs/dbraw/zinc/75/96/74/553759674.db2.gz CVJRJBYASCXMAM-UHFFFAOYSA-N 0 0 540.576 5.141 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000097939535 553759710 /nfs/dbraw/zinc/75/97/10/553759710.db2.gz XENZTFDZSVIKNC-UHFFFAOYSA-N 0 0 570.602 5.149 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939645 553759961 /nfs/dbraw/zinc/75/99/61/553759961.db2.gz SMMNKVVVHMAHFE-VXLXPWSCSA-N 0 0 531.630 5.247 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097939631 553759966 /nfs/dbraw/zinc/75/99/66/553759966.db2.gz OCTNFYJLKUMLSR-UFKXBGGNSA-N 0 0 535.662 5.388 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939748 553761113 /nfs/dbraw/zinc/76/11/13/553761113.db2.gz ZTAKJJSTPDDYMB-ICACTRECSA-N 0 0 583.681 6.356 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2c(F)cccc2Cl)cc1OC ZINC000097939803 553761282 /nfs/dbraw/zinc/76/12/82/553761282.db2.gz GOLWPXKITFQQCE-GEFUHLBYSA-N 0 0 561.053 6.805 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097939777 553761298 /nfs/dbraw/zinc/76/12/98/553761298.db2.gz CDVSWBGQMNVOKN-DSSGHVNRSA-N 0 0 549.689 5.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000097939821 553761577 /nfs/dbraw/zinc/76/15/77/553761577.db2.gz JQRILQWMDGNMJI-FWUCURJTSA-N 0 0 554.712 6.734 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939825 553761588 /nfs/dbraw/zinc/76/15/88/553761588.db2.gz AOLCVPZGVWUFSG-GJBXTBEHSA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000097939828 553761595 /nfs/dbraw/zinc/76/15/95/553761595.db2.gz WKCFYMROEJCLDK-UKPGIYTDSA-N 0 0 584.669 5.730 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939823 553761613 /nfs/dbraw/zinc/76/16/13/553761613.db2.gz AOLCVPZGVWUFSG-CAQRMWTPSA-N 0 0 582.697 6.502 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939842 553761824 /nfs/dbraw/zinc/76/18/24/553761824.db2.gz DPKBUYFRRAYJAY-BNHRFMORSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939861 553761827 /nfs/dbraw/zinc/76/18/27/553761827.db2.gz UZSLDONIGZVZEZ-MNAQKMTRSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1 ZINC000097939859 553761870 /nfs/dbraw/zinc/76/18/70/553761870.db2.gz WNHDPIIAWBRJIM-DFXYEROKSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000097939875 553762137 /nfs/dbraw/zinc/76/21/37/553762137.db2.gz JYBMJDQRLZYXQR-WENCNXQZSA-N 0 0 589.088 6.380 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939923 553762508 /nfs/dbraw/zinc/76/25/08/553762508.db2.gz WWIACQZUVKKUKA-IANOAQMISA-N 0 0 582.697 6.420 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000097939930 553762524 /nfs/dbraw/zinc/76/25/24/553762524.db2.gz WCAIJUBGMGIMCC-GFJKYASSSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000097939909 553762527 /nfs/dbraw/zinc/76/25/27/553762527.db2.gz RBGWZPBVIJVHLZ-UKPGIYTDSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939918 553762535 /nfs/dbraw/zinc/76/25/35/553762535.db2.gz ZGRCPTCXKMLPSU-GJBXTBEHSA-N 0 0 582.697 6.420 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939959 553762802 /nfs/dbraw/zinc/76/28/02/553762802.db2.gz WZTYOJRTVJNJPP-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000097940002 553763352 /nfs/dbraw/zinc/76/33/52/553763352.db2.gz DAOSWNSGBIQSOY-JRLVAEJTSA-N 0 0 549.689 5.175 50 30 KKEARN COc1ccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000097940232 553764116 /nfs/dbraw/zinc/76/41/16/553764116.db2.gz CSVPCPBWLFVHRE-UHFFFAOYSA-N 0 0 638.253 7.473 50 30 KKEARN O=C(c1c(F)c(Cl)ccc1C(F)(F)F)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000097940640 553766695 /nfs/dbraw/zinc/76/66/95/553766695.db2.gz ANYPVJQXLOOWFB-UHFFFAOYSA-N 0 0 532.847 5.936 50 30 KKEARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C/c2ccc(Cl)cc2Cl)CCCCC1 ZINC000097944962 553770351 /nfs/dbraw/zinc/77/03/51/553770351.db2.gz QDICCHPVWBBAJY-BLZJEKJLSA-N 0 0 565.376 8.866 50 30 KKEARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C/c2ccc(Cl)cc2)CCCCC1 ZINC000097944960 553770367 /nfs/dbraw/zinc/77/03/67/553770367.db2.gz VACVKJDNXXSACA-IFFYQAKGSA-N 0 0 530.931 8.212 50 30 KKEARN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097944969 553770676 /nfs/dbraw/zinc/77/06/76/553770676.db2.gz OKAHXYKOGRFTTC-WPWMEQJKSA-N 0 0 585.755 5.291 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000097945472 553772438 /nfs/dbraw/zinc/77/24/38/553772438.db2.gz DXXCNCQXSWPXML-ADXZGYQBSA-N 0 0 529.036 7.755 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097945954 553775701 /nfs/dbraw/zinc/77/57/01/553775701.db2.gz ZKSZHNLBXARCAH-QCBOHVIISA-N 0 0 539.695 7.619 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000097946223 553777711 /nfs/dbraw/zinc/77/77/11/553777711.db2.gz LAOCLMRATYHKLT-KRUMMXJUSA-N 0 0 575.844 9.060 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097946290 553778183 /nfs/dbraw/zinc/77/81/83/553778183.db2.gz NKQIBTYXCJTAMH-XFPFAXQNSA-N 0 0 690.778 5.068 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946382 553779017 /nfs/dbraw/zinc/77/90/17/553779017.db2.gz GRFQNIODCMYPLE-KUSDHMTMSA-N 0 0 667.585 5.588 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946381 553779019 /nfs/dbraw/zinc/77/90/19/553779019.db2.gz GRFQNIODCMYPLE-POKSHJSXSA-N 0 0 667.585 5.588 50 30 KKEARN Cc1cc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)c(C)o1 ZINC000023442418 553779131 /nfs/dbraw/zinc/77/91/31/553779131.db2.gz DYYJXJIZKQCLTL-PMERELPUSA-N 0 0 512.654 5.084 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S ZINC000097946499 553779758 /nfs/dbraw/zinc/77/97/58/553779758.db2.gz IUWRXIHJEYGOCQ-MOHJPFBDSA-N 0 0 532.760 7.711 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000097946564 553780295 /nfs/dbraw/zinc/78/02/95/553780295.db2.gz SBVNPSXLPUPIIL-QLTSDVKISA-N 0 0 624.316 10.104 50 30 KKEARN CC[C@@H](C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1)c1ccccc1 ZINC000023450496 553781934 /nfs/dbraw/zinc/78/19/34/553781934.db2.gz FIJXCDLDFWFFOA-CZNDPXEESA-N 0 0 536.720 5.754 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947005 553782862 /nfs/dbraw/zinc/78/28/62/553782862.db2.gz KZXWMOAOTVMAJJ-UHWDDTASSA-N 0 0 557.908 5.588 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccc(OC)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947004 553782871 /nfs/dbraw/zinc/78/28/71/553782871.db2.gz KZXWMOAOTVMAJJ-USUABIMMSA-N 0 0 557.908 5.588 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCc1ccccc1C#N ZINC000023460535 553785750 /nfs/dbraw/zinc/78/57/50/553785750.db2.gz QZMGGMXAWDGHPW-FQEVSTJZSA-N 0 0 512.701 5.047 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1csc(-c2cccc(OC)c2)n1 ZINC000024002328 553788229 /nfs/dbraw/zinc/78/82/29/553788229.db2.gz KEZRCXVRPIACCZ-UHFFFAOYSA-N 0 0 506.697 6.765 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097947889 553789493 /nfs/dbraw/zinc/78/94/93/553789493.db2.gz OXYFERPBQACBJV-QYBDOPJKSA-N 0 0 545.388 7.765 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc([C@H](C)Oc4cccc(C)c4C)n3C)sc2C1 ZINC000097948082 553790978 /nfs/dbraw/zinc/79/09/78/553790978.db2.gz VQGSFGLKEOILKT-VQTJNVASSA-N 0 0 551.782 6.777 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](CC)C4)sc2C1 ZINC000097948146 553791493 /nfs/dbraw/zinc/79/14/93/553791493.db2.gz OJDQYENPPYPBND-QZTJIDSGSA-N 0 0 554.807 6.673 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2ccccc2Cl)cc1 ZINC000097948405 553793563 /nfs/dbraw/zinc/79/35/63/553793563.db2.gz FKDDPJNBUHNRRE-GHRAFVERSA-N 0 0 567.154 8.913 50 30 KKEARN O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097948467 553794158 /nfs/dbraw/zinc/79/41/58/553794158.db2.gz XPBWXPYDZDBDNR-UHFFFAOYSA-N 0 0 572.312 5.705 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000097948494 553794419 /nfs/dbraw/zinc/79/44/19/553794419.db2.gz DRAYYIKQATXOAY-AREMUKBSSA-N 0 0 575.323 9.149 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000097948746 553796396 /nfs/dbraw/zinc/79/63/96/553796396.db2.gz OCPAXRCCGYMFLW-VWLRAHFJSA-N 0 0 601.747 7.764 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097948768 553796543 /nfs/dbraw/zinc/79/65/43/553796543.db2.gz XHJQJUASFJJLER-GTJUCTONSA-N 0 0 602.684 6.049 50 30 KKEARN Cc1ccc(-c2ccc(CCC(=O)NCc3c(F)cccc3Cl)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000025151241 553796582 /nfs/dbraw/zinc/79/65/82/553796582.db2.gz QFWUTKUSWYQKII-UHFFFAOYSA-N 0 0 500.017 6.869 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CSc4nc5ccccc5s4)[C@@H]3c3cccs3)C2)cc1 ZINC000097948878 553797409 /nfs/dbraw/zinc/79/74/09/553797409.db2.gz GSRZBVWUZNNIHW-XFSFLGPDSA-N 0 0 609.798 8.059 50 30 KKEARN NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)scc1-c1ccc(Cl)cc1Cl ZINC000097949275 553800881 /nfs/dbraw/zinc/80/08/81/553800881.db2.gz HFNJTYRZRRBGCF-UHFFFAOYSA-N 0 0 715.237 9.121 50 30 KKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097949256 553800903 /nfs/dbraw/zinc/80/09/03/553800903.db2.gz PWLIAIYREBQCRL-PGUFJCEWSA-N 0 0 691.055 10.473 50 30 KKEARN Cc1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000097949286 553801143 /nfs/dbraw/zinc/80/11/43/553801143.db2.gz ZODGGWIZZVMUPU-UHFFFAOYSA-N 0 0 729.264 9.429 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C1(C)C ZINC000097949512 553801893 /nfs/dbraw/zinc/80/18/93/553801893.db2.gz CNQHBRUCTKRRSB-QFIPXVFZSA-N 0 0 533.456 6.089 50 30 KKEARN CCCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000097949658 553802857 /nfs/dbraw/zinc/80/28/57/553802857.db2.gz BBWIRLMPNRIUJX-UHFFFAOYSA-N 0 0 538.664 5.196 50 30 KKEARN C=CCn1c(SCc2ccc(-c3csnn3)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025166091 553804706 /nfs/dbraw/zinc/80/47/06/553804706.db2.gz TVLIVFYMRAORBN-UHFFFAOYSA-N 0 0 518.671 7.157 50 30 KKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950722 553805245 /nfs/dbraw/zinc/80/52/45/553805245.db2.gz LKZFPNGWSQUFIK-HNNXBMFYSA-N 0 0 550.721 5.751 50 30 KKEARN O=S(=O)(Oc1ccccc1Cl)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)Oc3ccccc3Cl)ccc1-2 ZINC000097950727 553805295 /nfs/dbraw/zinc/80/52/95/553805295.db2.gz APOMSXHCRDIIOB-UHFFFAOYSA-N 0 0 651.549 7.374 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000097950921 553806002 /nfs/dbraw/zinc/80/60/02/553806002.db2.gz CKRCNGNZGXMWBN-HSZRJFAPSA-N 0 0 553.040 7.885 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950942 553806263 /nfs/dbraw/zinc/80/62/63/553806263.db2.gz XLRFUNZHQKRYIV-NRFANRHFSA-N 0 0 575.790 8.217 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097951360 553808527 /nfs/dbraw/zinc/80/85/27/553808527.db2.gz KHMKCBPFZMDBEK-AREMUKBSSA-N 0 0 525.715 6.175 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000097951374 553808557 /nfs/dbraw/zinc/80/85/57/553808557.db2.gz SCUKFAUXEOFIKS-CDZUIXILSA-N 0 0 533.112 8.720 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097951434 553809055 /nfs/dbraw/zinc/80/90/55/553809055.db2.gz DKERBHNWQHEKHH-GPNASLBKSA-N 0 0 536.672 7.081 50 30 KKEARN COc1ccc([C@H]2c3c(N)c(C(=O)Nc4ccccc4Cl)sc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097951575 553809921 /nfs/dbraw/zinc/80/99/21/553809921.db2.gz UWZFCJRCSHYJBQ-OAQYLSRUSA-N 0 0 538.069 6.454 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097951592 553809933 /nfs/dbraw/zinc/80/99/33/553809933.db2.gz IYPACDDHHOXXFX-HKBQPEDESA-N 0 0 548.639 6.996 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000097951663 553810557 /nfs/dbraw/zinc/81/05/57/553810557.db2.gz YIPWDQUEDFNTAE-PMERELPUSA-N 0 0 538.172 9.400 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097951808 553811529 /nfs/dbraw/zinc/81/15/29/553811529.db2.gz KQIFXGIMSLPUJU-DEOSSOPVSA-N 0 0 535.021 6.367 50 30 KKEARN O=[N+]([O-])c1c(/C=N/c2ccccc2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl ZINC000025584793 553811943 /nfs/dbraw/zinc/81/19/43/553811943.db2.gz ORXWYSZNVKDEQI-KVSWJAHQSA-N 0 0 506.172 8.886 50 30 KKEARN CN(CCN(C)/N=C/C(Br)=C\c1ccccc1)/N=C/C(Br)=C\c1ccccc1 ZINC000025691665 553812490 /nfs/dbraw/zinc/81/24/90/553812490.db2.gz VMAPIJPUAVPTJE-FLONKZDUSA-N 0 0 504.270 5.694 50 30 KKEARN CCCCCCCCNC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc21 ZINC000097952060 553813019 /nfs/dbraw/zinc/81/30/19/553813019.db2.gz KNDUAKSKRCYUSA-UHFFFAOYSA-N 0 0 500.647 5.083 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000025781731 553813577 /nfs/dbraw/zinc/81/35/77/553813577.db2.gz DBXFQSJAKONNMG-NRFANRHFSA-N 0 0 500.824 5.740 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000097952211 553813860 /nfs/dbraw/zinc/81/38/60/553813860.db2.gz GXLHTYLBMXMZKJ-GDLZYMKVSA-N 0 0 544.623 5.014 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000025783299 553813878 /nfs/dbraw/zinc/81/38/78/553813878.db2.gz GTVJUSNDNWSBBX-WINIVTDRSA-N 0 0 503.524 6.101 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952460 553816027 /nfs/dbraw/zinc/81/60/27/553816027.db2.gz NWFUKUVNOONRFT-DEOSSOPVSA-N 0 0 529.574 5.949 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952459 553816046 /nfs/dbraw/zinc/81/60/46/553816046.db2.gz NWFUKUVNOONRFT-XMMPIXPASA-N 0 0 529.574 5.949 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097952502 553816318 /nfs/dbraw/zinc/81/63/18/553816318.db2.gz USEILUSSWJNWNG-GDLZYMKVSA-N 0 0 548.595 5.534 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097952539 553816682 /nfs/dbraw/zinc/81/66/82/553816682.db2.gz BAEDKALXBVIVJU-QHCPKHFHSA-N 0 0 549.446 6.467 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000097953068 553819156 /nfs/dbraw/zinc/81/91/56/553819156.db2.gz UZRRGJZZAMTZHA-WJOKGBTCSA-N 0 0 535.744 9.194 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097954015 553820659 /nfs/dbraw/zinc/82/06/59/553820659.db2.gz WMDAWCCLWSZCIF-AFJIDDCJSA-N 0 0 542.632 5.761 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097954165 553821613 /nfs/dbraw/zinc/82/16/13/553821613.db2.gz CMQBZDACFWOFTQ-URAOTHONSA-N 0 0 541.644 6.366 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000026920643 553822058 /nfs/dbraw/zinc/82/20/58/553822058.db2.gz YMZKYKYDGNRSLC-HWRYFGFYSA-N 0 0 508.441 6.080 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C/c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097954209 553822173 /nfs/dbraw/zinc/82/21/73/553822173.db2.gz POLRXYYRCQYUSE-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954227 553822321 /nfs/dbraw/zinc/82/23/21/553822321.db2.gz MWLCNHKRULYVBI-NDEPHWFRSA-N 0 0 531.785 9.047 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1 ZINC000097954541 553823818 /nfs/dbraw/zinc/82/38/18/553823818.db2.gz WMXJYCDDKAYKHM-PIMODXEOSA-N 0 0 548.002 6.776 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000027021712 553824327 /nfs/dbraw/zinc/82/43/27/553824327.db2.gz KXOOWKBLBSCGDB-FQEVSTJZSA-N 0 0 502.621 5.624 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097954646 553824449 /nfs/dbraw/zinc/82/44/49/553824449.db2.gz ZYHJSZVKEVUGTO-WJOKGBTCSA-N 0 0 543.840 10.127 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097954671 553824729 /nfs/dbraw/zinc/82/47/29/553824729.db2.gz BNHCWUMBPCBROZ-ACSYHNTCSA-N 0 0 545.632 6.205 50 30 KKEARN CC(C)(C)c1ccc(-c2nc3cc(N=CC4=CC(=[NH+][N-]c5ccc(Cl)cc5)C=CC4=O)ccc3o2)cc1 ZINC000027475265 553825935 /nfs/dbraw/zinc/82/59/35/553825935.db2.gz GMDHDRLMIFGSAU-RRCVGMJBSA-N 0 0 509.009 9.317 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000097954907 553826469 /nfs/dbraw/zinc/82/64/69/553826469.db2.gz QSNIEWFIDBHETG-HSZRJFAPSA-N 0 0 534.634 5.817 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954998 553827105 /nfs/dbraw/zinc/82/71/05/553827105.db2.gz ZSTPJSPASHUBDN-OWJWWREXSA-N 0 0 532.618 5.549 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955026 553827372 /nfs/dbraw/zinc/82/73/72/553827372.db2.gz XJDOTSBAOJHQKT-MYUZEXMDSA-N 0 0 540.641 6.418 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955025 553827402 /nfs/dbraw/zinc/82/74/02/553827402.db2.gz XJDOTSBAOJHQKT-XRHLQHRESA-N 0 0 540.641 6.418 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955039 553827868 /nfs/dbraw/zinc/82/78/68/553827868.db2.gz KFSUTYYSYOISJL-PUAOIOHZSA-N 0 0 546.645 5.939 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955103 553828757 /nfs/dbraw/zinc/82/87/57/553828757.db2.gz WGCVCFRTSUQHMQ-CHAGWJKLSA-N 0 0 572.639 5.906 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2cc(Cl)cc(Cl)c2)S1 ZINC000027522449 553829033 /nfs/dbraw/zinc/82/90/33/553829033.db2.gz GMIUXHNSZUEFRV-XNTIDICGSA-N 0 0 516.425 6.336 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000027522500 553829069 /nfs/dbraw/zinc/82/90/69/553829069.db2.gz ZLNKRJADRGGKMK-OJEZVBBGSA-N 0 0 503.624 5.297 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955176 553829363 /nfs/dbraw/zinc/82/93/63/553829363.db2.gz HPVCZNGJTYIQHD-HWRSSNJWSA-N 0 0 563.031 6.160 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097955258 553830221 /nfs/dbraw/zinc/83/02/21/553830221.db2.gz MPKQYPFDDFPIID-LJAQVGFWSA-N 0 0 608.716 7.027 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955248 553830381 /nfs/dbraw/zinc/83/03/81/553830381.db2.gz ZJAGHHNVGGFHQH-QUGAMOGWSA-N 0 0 526.614 6.110 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955249 553830389 /nfs/dbraw/zinc/83/03/89/553830389.db2.gz FVPXETVHVVYOPQ-JPQMRUPTSA-N 0 0 569.698 6.799 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955293 553830999 /nfs/dbraw/zinc/83/09/99/553830999.db2.gz XIKOBSVLTLOWBK-MRDQGFSESA-N 0 0 526.614 6.110 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955585 553831699 /nfs/dbraw/zinc/83/16/99/553831699.db2.gz BMTLFIBQJUPEDI-DNOBIOAJSA-N 0 0 538.625 6.276 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955584 553831718 /nfs/dbraw/zinc/83/17/18/553831718.db2.gz BMTLFIBQJUPEDI-MYUZEXMDSA-N 0 0 538.625 6.276 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955625 553832059 /nfs/dbraw/zinc/83/20/59/553832059.db2.gz ZQNINOHOGRILDT-SGANQWHYSA-N 0 0 528.586 5.420 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097955610 553832074 /nfs/dbraw/zinc/83/20/74/553832074.db2.gz RMWCCLOOBRJDTN-ONOMSOESSA-N 0 0 535.600 5.667 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955652 553832521 /nfs/dbraw/zinc/83/25/21/553832521.db2.gz NHZNUWPSSODBAE-IVCQMTBJSA-N 0 0 541.585 5.928 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955682 553832728 /nfs/dbraw/zinc/83/27/28/553832728.db2.gz OXBUWBPABFFGEW-CLYVBNDRSA-N 0 0 540.641 6.500 50 30 KKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027547312 553833035 /nfs/dbraw/zinc/83/30/35/553833035.db2.gz NPDSLGKIRUUREY-QHCPKHFHSA-N 0 0 502.964 6.910 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955719 553833091 /nfs/dbraw/zinc/83/30/91/553833091.db2.gz CUFKJRYYJSMKSC-MYUZEXMDSA-N 0 0 540.641 6.500 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955721 553833098 /nfs/dbraw/zinc/83/30/98/553833098.db2.gz OFJJFZRERNPNDG-NPMXOYFQSA-N 0 0 548.617 5.133 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547950 553833265 /nfs/dbraw/zinc/83/32/65/553833265.db2.gz XZGQWZDROAKDNV-KBMIEXCESA-N 0 0 508.565 6.767 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955761 553833586 /nfs/dbraw/zinc/83/35/86/553833586.db2.gz BJMZJEDYOKHQIT-SOKVYYICSA-N 0 0 540.641 6.364 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097955791 553833853 /nfs/dbraw/zinc/83/38/53/553833853.db2.gz GETVYBZIOJYVHW-WJOKGBTCSA-N 0 0 628.747 7.435 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097955792 553833860 /nfs/dbraw/zinc/83/38/60/553833860.db2.gz GETVYBZIOJYVHW-HKBQPEDESA-N 0 0 628.747 7.435 50 30 KKEARN O=C(CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)C[C@@H](c3ccc(CO)cc3)O2)cc1)NO ZINC000027551136 553834346 /nfs/dbraw/zinc/83/43/46/553834346.db2.gz BHUZLJOUHMBZQY-YXQOSMAKSA-N 0 0 721.876 8.623 50 30 in-vitro KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000097955844 553834695 /nfs/dbraw/zinc/83/46/95/553834695.db2.gz LLTBIZLPLMRARC-SGANQWHYSA-N 0 0 528.586 5.507 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1cc(C)sc1C ZINC000027551766 553834709 /nfs/dbraw/zinc/83/47/09/553834709.db2.gz XGJOMJMVUSVRLG-KSNOWIBYSA-N 0 0 523.651 5.087 50 30 KKEARN N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC1)CCCC2 ZINC000027570217 553835260 /nfs/dbraw/zinc/83/52/60/553835260.db2.gz UTCKEPOMFBZKHW-UHFFFAOYSA-N 0 0 506.437 6.160 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956208 553836666 /nfs/dbraw/zinc/83/66/66/553836666.db2.gz XRHXACZBACVSFO-WXTAPIANSA-N 0 0 524.598 5.828 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956234 553836989 /nfs/dbraw/zinc/83/69/89/553836989.db2.gz HQUYXDKPWGFUHU-DWXRJYCRSA-N 0 0 524.598 5.828 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956215 553837052 /nfs/dbraw/zinc/83/70/52/553837052.db2.gz BMOHUNAANDOMDA-QUGAMOGWSA-N 0 0 539.613 5.532 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956212 553837071 /nfs/dbraw/zinc/83/70/71/553837071.db2.gz BMOHUNAANDOMDA-MRDQGFSESA-N 0 0 539.613 5.532 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000027994394 553837108 /nfs/dbraw/zinc/83/71/08/553837108.db2.gz AWYCGUNODXQKAG-XNMGPUDCSA-N 0 0 517.025 5.300 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956557 553839434 /nfs/dbraw/zinc/83/94/34/553839434.db2.gz FXSFLJYGLYTHIK-QMTYFTJSSA-N 0 0 542.588 6.107 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000097956792 553841969 /nfs/dbraw/zinc/84/19/69/553841969.db2.gz LCILCTBQVBCFSN-UHFFFAOYSA-N 0 0 553.615 5.004 50 30 KKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000097956818 553842301 /nfs/dbraw/zinc/84/23/01/553842301.db2.gz BXNSRXQEDCLBJS-UHFFFAOYSA-N 0 0 525.474 6.787 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097956817 553842360 /nfs/dbraw/zinc/84/23/60/553842360.db2.gz OJQVLTLBSLQJGJ-DEOSSOPVSA-N 0 0 544.629 5.759 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956882 553842905 /nfs/dbraw/zinc/84/29/05/553842905.db2.gz SFHUZFFOARXPEK-DEOSSOPVSA-N 0 0 560.628 5.459 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000097957118 553844549 /nfs/dbraw/zinc/84/45/49/553844549.db2.gz LDGLWKQYUUFRLM-SMCANUKXSA-N 0 0 537.531 9.283 50 30 KKEARN Brc1ccc(CN=Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000097957848 553848837 /nfs/dbraw/zinc/84/88/37/553848837.db2.gz ORKQSKIUOBOVLT-TURZUDJPSA-N 0 0 530.430 5.387 50 30 KKEARN Oc1ccc(Br)cc1CN=Nc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000097957883 553849078 /nfs/dbraw/zinc/84/90/78/553849078.db2.gz JQZLFUAAVBUBAB-IPPBACCNSA-N 0 0 559.346 6.197 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000029747949 553849080 /nfs/dbraw/zinc/84/90/80/553849080.db2.gz BHCXWBVXWFKDBI-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000029747930 553849245 /nfs/dbraw/zinc/84/92/45/553849245.db2.gz XDFTYIUWTNVBMD-RCRUUEGKSA-N 0 0 553.615 5.921 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000097957940 553849851 /nfs/dbraw/zinc/84/98/51/553849851.db2.gz JTXHTVNWRWSMKH-LEPGYMSLSA-N 0 0 584.333 7.581 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC ZINC000029749027 553850815 /nfs/dbraw/zinc/85/08/15/553850815.db2.gz NNTNZMHYXHBDQA-XMMPIXPASA-N 0 0 545.518 5.863 50 30 KKEARN Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097958121 553851476 /nfs/dbraw/zinc/85/14/76/553851476.db2.gz QJAHATHRNCJIKW-MTDXEUNCSA-N 0 0 590.774 7.271 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\N=C(/C)c3ccc(Br)cc3)S2)cc1 ZINC000097958646 553856491 /nfs/dbraw/zinc/85/64/91/553856491.db2.gz LMRLUQGFLAATCY-NRXPLXKSSA-N 0 0 545.503 5.749 50 30 KKEARN CN(C)c1ccc(/C=N/N=c2/cc(-c3ccccc3)c3cc4c(cc3o2)occ4-c2ccc(Cl)cc2)cc1 ZINC000030822727 553857050 /nfs/dbraw/zinc/85/70/50/553857050.db2.gz CUCHDIWVWLJPJL-KIPFYVGASA-N 0 0 518.016 8.167 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4[C@@H](C)CC)c4ccccc34)C2=N)S1 ZINC000097958800 553857641 /nfs/dbraw/zinc/85/76/41/553857641.db2.gz FEFDOIYAOGVKFY-AHTPOVDNSA-N 0 0 569.775 8.213 50 30 KKEARN O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cccc(NC(=O)/C=C/c4ccccc4)c3)cc2)c1 ZINC000097958825 553857969 /nfs/dbraw/zinc/85/79/69/553857969.db2.gz QNLXZCLVRVOBOZ-OBCUGYALSA-N 0 0 628.728 8.783 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097958896 553858767 /nfs/dbraw/zinc/85/87/67/553858767.db2.gz CFQIBWHCZPIQQG-FEEXRDNLSA-N 0 0 556.471 6.331 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097959005 553859725 /nfs/dbraw/zinc/85/97/25/553859725.db2.gz VGMABKNPIGBMIO-SKCJHTIKSA-N 0 0 561.660 5.431 50 30 KKEARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000097959039 553859976 /nfs/dbraw/zinc/85/99/76/553859976.db2.gz IBPWZAQXMTVWES-UHSYMONFSA-N 0 0 742.038 7.036 50 30 KKEARN O=C1/C(=C/c2ccccc2OCc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000097959030 553860021 /nfs/dbraw/zinc/86/00/21/553860021.db2.gz HEAFDLQERPMTBZ-FJXAFNGESA-N 0 0 555.497 7.832 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000097959317 553862656 /nfs/dbraw/zinc/86/26/56/553862656.db2.gz UNMXRCCFARRCER-UHFFFAOYSA-N 0 0 557.701 6.464 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(N)=O ZINC000097959747 553865840 /nfs/dbraw/zinc/86/58/40/553865840.db2.gz GGHZLGRCBDTRBF-SEFRPIESSA-N 0 0 580.504 6.077 50 30 KKEARN Cc1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(CCc4ccccc4)C3=O)o2)c(Br)c1 ZINC000097959736 553865907 /nfs/dbraw/zinc/86/59/07/553865907.db2.gz NCBOWVRRBDRTEG-RKTIASQZSA-N 0 0 543.486 7.864 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000097959781 553866178 /nfs/dbraw/zinc/86/61/78/553866178.db2.gz CKOGNWQLTXOYOY-GMSPJADCSA-N 0 0 519.683 6.905 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097959813 553866185 /nfs/dbraw/zinc/86/61/85/553866185.db2.gz AKIJVHRVZOLBHG-QHCPKHFHSA-N 0 0 568.562 7.023 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)c(OCc4cccc5ccccc54)cc3Br)S2)cc1 ZINC000097959827 553866441 /nfs/dbraw/zinc/86/64/41/553866441.db2.gz YJRQTEFEIWFKJS-JFLMPSFJSA-N 0 0 575.484 7.090 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Cl)cc1Br ZINC000097959843 553866484 /nfs/dbraw/zinc/86/64/84/553866484.db2.gz DRKGLZVVLXKDQS-NDEPHWFRSA-N 0 0 687.816 7.454 50 30 KKEARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000097959880 553866810 /nfs/dbraw/zinc/86/68/10/553866810.db2.gz BLVKYEQGWJWBOS-UHFFFAOYSA-N 0 0 559.328 6.827 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F ZINC000097959854 553866819 /nfs/dbraw/zinc/86/68/19/553866819.db2.gz YTJIOIJQOLCCQC-SSEXGKCCSA-N 0 0 615.702 7.405 50 30 KKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097960012 553867745 /nfs/dbraw/zinc/86/77/45/553867745.db2.gz CAAFGINEZZDPEP-PGUFJCEWSA-N 0 0 638.233 9.331 50 30 KKEARN COCCCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)Nc3ccc(F)cc3)cc2Br)S/C1=N\c1ccccc1 ZINC000097960105 553868334 /nfs/dbraw/zinc/86/83/34/553868334.db2.gz GRHLTCGRJRSGFB-ABSWCJABSA-N 0 0 628.520 6.255 50 30 KKEARN COc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000097960141 553868597 /nfs/dbraw/zinc/86/85/97/553868597.db2.gz OIDQRBDWUYIXFN-FJXAFNGESA-N 0 0 630.592 7.817 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000097960199 553868861 /nfs/dbraw/zinc/86/88/61/553868861.db2.gz GAFMBSYSFCBBDD-UFFVCSGVSA-N 0 0 647.205 8.932 50 30 KKEARN CCOc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(OCC)c(Br)c2)cc1Br ZINC000097960209 553869360 /nfs/dbraw/zinc/86/93/60/553869360.db2.gz KTTGWHMUDGBDNL-FLFQWRMESA-N 0 0 556.276 5.394 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097960292 553869988 /nfs/dbraw/zinc/86/99/88/553869988.db2.gz OZPACPGJXCPQAS-FJOMVMCCSA-N 0 0 542.032 5.699 50 30 KKEARN Cn1c2ccccc2nc1NN=Cc1cc(Cc2ccccc2)cc(C=NNc2nc3ccccc3n2C)c1O ZINC000097960397 553871284 /nfs/dbraw/zinc/87/12/84/553871284.db2.gz VDOVCVFBGAKBNB-CRDPYYQKSA-N 0 0 528.620 5.648 50 30 KKEARN C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(I)c2)C1=O ZINC000097960405 553871327 /nfs/dbraw/zinc/87/13/27/553871327.db2.gz JUQVKJDDHHMTGD-HMAPJEAMSA-N 0 0 525.367 5.693 50 30 KKEARN COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000097960432 553871601 /nfs/dbraw/zinc/87/16/01/553871601.db2.gz SIAUFQNADDFWGO-SBABTDKQSA-N 0 0 544.636 7.155 50 30 KKEARN Cc1cccc(NC(=O)Cn2cc(/C=C3\S/C(=N/c4ccc(N5CCOCC5)cc4)N(C)C3=O)c3ccccc32)c1 ZINC000097960438 553871726 /nfs/dbraw/zinc/87/17/26/553871726.db2.gz JPYDARDALGSVOB-CWQCNDBQSA-N 0 0 565.699 5.659 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)cc1C ZINC000032666626 553872875 /nfs/dbraw/zinc/87/28/75/553872875.db2.gz QNLMYUGOGMKCIV-PKAZHMFMSA-N 0 0 518.635 5.142 50 30 KKEARN COc1ccccc1/N=C1\S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccccc1OC ZINC000097960797 553873325 /nfs/dbraw/zinc/87/33/25/553873325.db2.gz TWPYPODTDDMFMG-NAPAHEDJSA-N 0 0 550.558 7.791 50 30 KKEARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(Br)c3)c2-c2ccccc2)cc1 ZINC000097960954 553874428 /nfs/dbraw/zinc/87/44/28/553874428.db2.gz WZWJOBMADZFHKG-PPOKSSTKSA-N 0 0 549.468 8.501 50 30 KKEARN CSC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1c1ccc(Cl)cc1 ZINC000032818825 553875304 /nfs/dbraw/zinc/87/53/04/553875304.db2.gz CFJIGJNLHJCAFI-NRFANRHFSA-N 0 0 514.390 6.630 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1 ZINC000097962020 553882349 /nfs/dbraw/zinc/88/23/49/553882349.db2.gz CLVDCEUTCZFHRF-YWYMDWNWSA-N 0 0 557.614 5.854 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccc(OC)cc2)cc1 ZINC000097962034 553882500 /nfs/dbraw/zinc/88/25/00/553882500.db2.gz RALFEWCHHCQSBM-NNMHWGRNSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097962044 553882533 /nfs/dbraw/zinc/88/25/33/553882533.db2.gz JLMNHUNPOJRXIZ-QAJWAAMASA-N 0 0 553.619 5.250 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1OC ZINC000097962057 553882862 /nfs/dbraw/zinc/88/28/62/553882862.db2.gz HLLKSTQSNQFSLQ-NNMHWGRNSA-N 0 0 557.610 6.521 50 30 KKEARN O=C(Nc1ccc2[nH]c(-c3cc(Cl)c(NC(=O)c4ccc(N=Cc5ccccc5O)cc4)c(Cl)c3)nc2c1Cl)c1ccc(N=Cc2ccccc2O)cc1 ZINC000097962855 553885667 /nfs/dbraw/zinc/88/56/67/553885667.db2.gz HAHBHHLLGMXCLI-BJAZEXQTSA-N 0 0 774.064 10.607 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000097963383 553889365 /nfs/dbraw/zinc/88/93/65/553889365.db2.gz ISMDCTWWUUNRSD-UHFFFAOYSA-N 0 0 564.758 5.628 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc4c(c3)OCO4)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000097964040 553895944 /nfs/dbraw/zinc/89/59/44/553895944.db2.gz PTLVGGKSKXFCNF-UDRPCTDCSA-N 0 0 539.495 7.393 50 30 KKEARN CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000097964187 553896593 /nfs/dbraw/zinc/89/65/93/553896593.db2.gz JJBHXXZJZQDYRZ-LWPYMBBZSA-N 0 0 533.650 6.048 50 30 KKEARN N#Cc1ccccc1Cn1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000033055338 553901477 /nfs/dbraw/zinc/90/14/77/553901477.db2.gz BDDGUMZNPLVPKP-RNMKHYPESA-N 0 0 516.670 7.498 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)/C(=N/c3ccccc3)S2)cc1 ZINC000097965359 553904182 /nfs/dbraw/zinc/90/41/82/553904182.db2.gz UPFFMOYZZITCLT-MHHIIQDZSA-N 0 0 646.811 8.035 50 30 KKEARN Brc1ccc2[nH]cc(CN=Nc3nc(N=NCc4c[nH]c5ccc(Br)cc45)nc(N(c4ccccc4)c4ccccc4)n3)c2c1 ZINC000097965427 553904525 /nfs/dbraw/zinc/90/45/25/553904525.db2.gz XKFSFIULGWPBDB-DXPBBKGPSA-N 0 0 720.433 8.721 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000097966149 553907371 /nfs/dbraw/zinc/90/73/71/553907371.db2.gz MRXPWHKJWVIFNP-PQBNMGNUSA-N 0 0 579.527 8.916 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000097966151 553907386 /nfs/dbraw/zinc/90/73/86/553907386.db2.gz MRXPWHKJWVIFNP-FSEXPFJXSA-N 0 0 579.527 8.916 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000097966273 553907904 /nfs/dbraw/zinc/90/79/04/553907904.db2.gz NGXRRBNVLDBJBN-LYUDBTHLSA-N 0 0 556.687 8.232 50 30 KKEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccc(Oc3ccc(/N=C/c4[nH]c(C)c(C(=O)OC)c4-c4ccccc4)cc3)cc2)c1-c1ccccc1 ZINC000097966341 553908433 /nfs/dbraw/zinc/90/84/33/553908433.db2.gz DANZLVFJLYAIRW-WAJJMWJGSA-N 0 0 650.735 9.160 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097966741 553909910 /nfs/dbraw/zinc/90/99/10/553909910.db2.gz ZSGRRMLUMLRIKX-SANMLTNESA-N 0 0 571.512 5.237 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097966853 553911260 /nfs/dbraw/zinc/91/12/60/553911260.db2.gz LIARQLWRTYMKDD-WJOKGBTCSA-N 0 0 564.638 6.155 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097966899 553911550 /nfs/dbraw/zinc/91/15/50/553911550.db2.gz MVUTZBKMDTYKOT-WJOKGBTCSA-N 0 0 554.687 5.437 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966906 553911975 /nfs/dbraw/zinc/91/19/75/553911975.db2.gz VVXUMKIXITZERC-JGCGQSQUSA-N 0 0 563.650 6.981 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097966941 553912217 /nfs/dbraw/zinc/91/22/17/553912217.db2.gz IGXSYVDZQNPKES-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097967129 553913948 /nfs/dbraw/zinc/91/39/48/553913948.db2.gz QRDQJLOFRORMRH-DFXYEROKSA-N 0 0 557.643 5.603 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967239 553915712 /nfs/dbraw/zinc/91/57/12/553915712.db2.gz ZEWSBWXRXLWYKX-PPGPUPIYSA-N 0 0 648.737 7.389 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967272 553916423 /nfs/dbraw/zinc/91/64/23/553916423.db2.gz GHOPCFOADZDUFM-WRGVRERRSA-N 0 0 598.721 7.207 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000097967334 553917205 /nfs/dbraw/zinc/91/72/05/553917205.db2.gz GCEBANXJHIPTKP-WSFITPBMSA-N 0 0 564.210 9.799 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000097967430 553918454 /nfs/dbraw/zinc/91/84/54/553918454.db2.gz PCYQOWCFDMYDAF-HHHXNRCGSA-N 0 0 554.668 6.765 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967584 553920634 /nfs/dbraw/zinc/92/06/34/553920634.db2.gz OZZFDJUTXAIBRU-YHAMSUFESA-N 0 0 559.043 6.621 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967588 553920642 /nfs/dbraw/zinc/92/06/42/553920642.db2.gz JLXAYMFFMKXVDE-NSYGIPOTSA-N 0 0 576.671 5.913 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967611 553921134 /nfs/dbraw/zinc/92/11/34/553921134.db2.gz SGPLLRQOKWLXMN-XGCWNURASA-N 0 0 554.624 5.976 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967645 553921359 /nfs/dbraw/zinc/92/13/59/553921359.db2.gz GQDBYZUWOKBZJV-WGDIFIGCSA-N 0 0 604.681 5.698 50 30 KKEARN C=CCOc1ccc(Br)cc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000033349155 553922126 /nfs/dbraw/zinc/92/21/26/553922126.db2.gz VDQRRKYWEITGID-WAMJVRJTSA-N 0 0 519.464 6.687 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097967727 553922335 /nfs/dbraw/zinc/92/23/35/553922335.db2.gz QTFJONJPXTTYEU-WJOKGBTCSA-N 0 0 571.670 6.102 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967739 553922762 /nfs/dbraw/zinc/92/27/62/553922762.db2.gz OKRLTLJLJVLJQX-WWOZWPLTSA-N 0 0 633.166 7.880 50 30 KKEARN COc1ccc(/C(=N/CS(=O)(=O)c2ccc(C)cc2)n2c(=S)nc(-c3ccc(OC)cc3)n(CS(=O)(=O)c3ccc(C)cc3)c2=S)cc1 ZINC000033353109 553923070 /nfs/dbraw/zinc/92/30/70/553923070.db2.gz SRDPEXJLOPVOQN-LLZINOMRSA-N 0 0 720.920 6.602 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967804 553923620 /nfs/dbraw/zinc/92/36/20/553923620.db2.gz XKXGISCDPXUTEV-QTYPKTMWSA-N 0 0 634.710 6.999 50 30 KKEARN COc1ccccc1[C@H]1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(CO/N=C/c4ccccc4)nc3c21 ZINC000097967893 553924873 /nfs/dbraw/zinc/92/48/73/553924873.db2.gz MNROJWAQEKESIB-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097967903 553924918 /nfs/dbraw/zinc/92/49/18/553924918.db2.gz MDLQQAFQBRDZBI-ACNXWRNMSA-N 0 0 559.648 5.311 50 30 KKEARN CN(C)c1ccc(/C=C2\S/C(=N/c3ccc4ccccc4c3)N(C3CCCCC3)C2=O)cc1Br ZINC000033353476 553925395 /nfs/dbraw/zinc/92/53/95/553925395.db2.gz DGDJWORAJDJMCO-PSRSWHCHSA-N 0 0 534.523 7.605 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1 ZINC000033354104 553928446 /nfs/dbraw/zinc/92/84/46/553928446.db2.gz YATWIFCCHGHDIP-UHFFFAOYSA-N 0 0 514.839 9.977 50 30 biogenic KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968161 553928464 /nfs/dbraw/zinc/92/84/64/553928464.db2.gz WKWRSWGKHUOIBH-QUGAMOGWSA-N 0 0 560.672 6.329 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968159 553928510 /nfs/dbraw/zinc/92/85/10/553928510.db2.gz WKWRSWGKHUOIBH-QLXKLKPCSA-N 0 0 560.672 6.329 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)[C@H]3c3ccc(C)s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000033354229 553928969 /nfs/dbraw/zinc/92/89/69/553928969.db2.gz CLWNJLHIWGUREQ-ZPGRZCPFSA-N 0 0 716.966 8.201 50 30 KKEARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000097968273 553929891 /nfs/dbraw/zinc/92/98/91/553929891.db2.gz NZSKJVMGSOCKBE-LACFKQCHSA-N 0 0 572.412 6.355 50 30 KKEARN O=C(Nc1cccc2c(NC(=O)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF)cccc12)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354522 553929997 /nfs/dbraw/zinc/92/99/97/553929997.db2.gz SLOUQSLMEIQXRE-ZIAGYGMSSA-N 0 0 674.332 8.279 50 30 KKEARN O=C(N[C@H](c1ccc(Cl)cc1)[C@@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000033354480 553930034 /nfs/dbraw/zinc/93/00/34/553930034.db2.gz KXXAWMDWJDXTAO-VJLCQWMNSA-N 0 0 542.293 8.632 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968316 553930379 /nfs/dbraw/zinc/93/03/79/553930379.db2.gz QTFSAORXMQILBN-UXUKFEMZSA-N 0 0 548.006 6.108 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000033354700 553930829 /nfs/dbraw/zinc/93/08/29/553930829.db2.gz CJVQAHSAWKYOOD-JPQMRUPTSA-N 0 0 553.033 7.702 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O ZINC000033354900 553931955 /nfs/dbraw/zinc/93/19/55/553931955.db2.gz PGZWVMWKKAUYEG-RSCQTMGDSA-N 0 0 645.701 5.201 50 30 KKEARN CCN(CC)c1nc(N=NCc2cc(I)cc(I)c2OC)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000033355152 553933298 /nfs/dbraw/zinc/93/32/98/553933298.db2.gz VYBNKAFYLZWCNQ-RPPGKUMJSA-N 0 0 691.743 6.087 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(C=Nc3cccc(Cl)c3Cl)c3ccccc3C2c2ccccc21 ZINC000033355219 553933675 /nfs/dbraw/zinc/93/36/75/553933675.db2.gz XCIMKPQIABOVKQ-HKKKRMMASA-N 0 0 568.416 6.855 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000097968591 553933833 /nfs/dbraw/zinc/93/38/33/553933833.db2.gz PLJZRWFJKPAABG-RNMHXKJMSA-N 0 0 556.471 6.331 50 30 KKEARN CCOc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000097968744 553934010 /nfs/dbraw/zinc/93/40/10/553934010.db2.gz KPDKJKPUOAHIFF-IMICAWDVSA-N 0 0 536.440 5.396 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)CCC/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000097968636 553934026 /nfs/dbraw/zinc/93/40/26/553934026.db2.gz YFMURRAGSQRZGK-QUDUTFMFSA-N 0 0 544.261 10.040 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097968719 553934040 /nfs/dbraw/zinc/93/40/40/553934040.db2.gz QEPKRVFUMBFREL-OAKVWFCFSA-N 0 0 554.027 5.612 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1CN1C(=O)c2ccccc2C1=O ZINC000033355344 553934138 /nfs/dbraw/zinc/93/41/38/553934138.db2.gz ARRJUONPJDGWHC-UHFFFAOYSA-N 0 0 539.628 5.892 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CCC2 ZINC000033355331 553934214 /nfs/dbraw/zinc/93/42/14/553934214.db2.gz SOQSHRXVYINONQ-FQEVSTJZSA-N 0 0 527.033 7.057 50 30 KKEARN O=c1[nH]c2ccc(Nc3nc4no[nH]c-4nc3=NN=Cc3ccccc3OCc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000033355315 553934208 /nfs/dbraw/zinc/93/42/08/553934208.db2.gz GRAURRRKTOOHJA-IPBVOBEMSA-N 0 0 562.377 5.258 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC[S@](=O)Cc1ccccc1 ZINC000033355411 553934751 /nfs/dbraw/zinc/93/47/51/553934751.db2.gz NCSHRGKOKPYRSM-MGBGTMOVSA-N 0 0 533.516 7.091 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000097969117 553936625 /nfs/dbraw/zinc/93/66/25/553936625.db2.gz KTFSYDFGTNASHI-GDLZYMKVSA-N 0 0 595.523 6.181 50 30 KKEARN COc1cc([C@H]2OC(c3sc(NC(C)=O)c(C#N)c3C)=NN2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033355806 553937274 /nfs/dbraw/zinc/93/72/74/553937274.db2.gz PHSCYZZWHKGBOQ-AREMUKBSSA-N 0 0 573.458 6.020 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969218 553938455 /nfs/dbraw/zinc/93/84/55/553938455.db2.gz PCPYJZJBKHZVQZ-XFSFLGPDSA-N 0 0 618.711 7.380 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969288 553939437 /nfs/dbraw/zinc/93/94/37/553939437.db2.gz MNXPBQDYQVEYAB-MHZLTWQESA-N 0 0 572.639 6.038 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969327 553939673 /nfs/dbraw/zinc/93/96/73/553939673.db2.gz CVUZUWBAMICSCG-AFJIDDCJSA-N 0 0 568.695 7.280 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969381 553940399 /nfs/dbraw/zinc/94/03/99/553940399.db2.gz GPTABEQZTVNQGT-GYCJOSAFSA-N 0 0 562.644 5.523 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969396 553940474 /nfs/dbraw/zinc/94/04/74/553940474.db2.gz NXKOVFJGOJPYMD-HEIROHQZSA-N 0 0 569.698 6.655 50 30 KKEARN O=C(Oc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1)N1c2ccccc2Sc2ccccc21 ZINC000033356353 553940915 /nfs/dbraw/zinc/94/09/15/553940915.db2.gz WEKDROLAKSNWQW-UUWRZZSWSA-N 0 0 582.706 9.355 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097969445 553941115 /nfs/dbraw/zinc/94/11/15/553941115.db2.gz AKMIUCZCOXHYTQ-GDLZYMKVSA-N 0 0 565.626 5.226 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969615 553942907 /nfs/dbraw/zinc/94/29/07/553942907.db2.gz ASNGCVFDXRVYLD-CLYVBNDRSA-N 0 0 616.692 5.864 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969627 553943010 /nfs/dbraw/zinc/94/30/10/553943010.db2.gz JXZXLTNFENXDMS-RBSBEOHCSA-N 0 0 595.076 7.848 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097969643 553943426 /nfs/dbraw/zinc/94/34/26/553943426.db2.gz CRORFPPRSJEMGY-ONOMSOESSA-N 0 0 559.663 5.453 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097969644 553943512 /nfs/dbraw/zinc/94/35/12/553943512.db2.gz CRORFPPRSJEMGY-PBBNMVCDSA-N 0 0 559.663 5.453 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969722 553944096 /nfs/dbraw/zinc/94/40/96/553944096.db2.gz QJNNRLYBBHVNFK-GDLZYMKVSA-N 0 0 600.693 6.655 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969723 553944099 /nfs/dbraw/zinc/94/40/99/553944099.db2.gz QJNNRLYBBHVNFK-LJAQVGFWSA-N 0 0 600.693 6.655 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969753 553944455 /nfs/dbraw/zinc/94/44/55/553944455.db2.gz ZRFJLQRLQWVIBJ-BGOLNKOXSA-N 0 0 588.685 7.290 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969760 553944580 /nfs/dbraw/zinc/94/45/80/553944580.db2.gz YVYAOIAJNXIAIN-WRONEBCDSA-N 0 0 568.695 7.136 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969845 553945800 /nfs/dbraw/zinc/94/58/00/553945800.db2.gz WKCNMFXHARNBTE-CPJLOUKISA-N 0 0 592.670 5.532 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969844 553946062 /nfs/dbraw/zinc/94/60/62/553946062.db2.gz WKCNMFXHARNBTE-PUAOIOHZSA-N 0 0 592.670 5.532 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969914 553946829 /nfs/dbraw/zinc/94/68/29/553946829.db2.gz YTFPWTVVRGOFTG-PPHZAIPVSA-N 0 0 602.709 6.470 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970026 553948761 /nfs/dbraw/zinc/94/87/61/553948761.db2.gz HDDYFAXHNWBCIC-PUAOIOHZSA-N 0 0 575.484 6.782 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000097970080 553948981 /nfs/dbraw/zinc/94/89/81/553948981.db2.gz OXCFVOUTCVJJQP-HKBQPEDESA-N 0 0 568.198 9.408 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000097970079 553949060 /nfs/dbraw/zinc/94/90/60/553949060.db2.gz OXCFVOUTCVJJQP-WJOKGBTCSA-N 0 0 568.198 9.408 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970091 553949535 /nfs/dbraw/zinc/94/95/35/553949535.db2.gz ZQCDVDKJXAEKPK-BGOLNKOXSA-N 0 0 612.748 7.535 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970136 553950130 /nfs/dbraw/zinc/95/01/30/553950130.db2.gz HSCWZHWQCOIECU-XGCWNURASA-N 0 0 575.086 7.235 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970182 553950878 /nfs/dbraw/zinc/95/08/78/553950878.db2.gz AQUGOHYNMIRTIO-ACSYHNTCSA-N 0 0 646.762 6.724 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970220 553951197 /nfs/dbraw/zinc/95/11/97/553951197.db2.gz BYRZQMYNSNSTJW-XBBWARJSSA-N 0 0 584.694 6.836 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970265 553951567 /nfs/dbraw/zinc/95/15/67/553951567.db2.gz SWPMDHAPUGPLSN-GHRAFVERSA-N 0 0 626.775 7.843 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970256 553951573 /nfs/dbraw/zinc/95/15/73/553951573.db2.gz HOBSWOPKKAONSB-XDBZFTIUSA-N 0 0 568.695 7.099 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970267 553951579 /nfs/dbraw/zinc/95/15/79/553951579.db2.gz SWPMDHAPUGPLSN-APYJYERMSA-N 0 0 626.775 7.843 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970311 553952520 /nfs/dbraw/zinc/95/25/20/553952520.db2.gz YIWDSJGZLXQJHD-WXTAPIANSA-N 0 0 590.698 6.304 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970331 553952612 /nfs/dbraw/zinc/95/26/12/553952612.db2.gz NNGGFUBNPWOUDQ-URAOTHONSA-N 0 0 582.722 7.588 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970387 553953242 /nfs/dbraw/zinc/95/32/42/553953242.db2.gz KFECRSFUEKRBRF-CRYYWNKWSA-N 0 0 556.640 6.037 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970378 553953259 /nfs/dbraw/zinc/95/32/59/553953259.db2.gz WDHRFKZKIHCXDL-DNOBIOAJSA-N 0 0 618.708 6.088 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970411 553953763 /nfs/dbraw/zinc/95/37/63/553953763.db2.gz HAJDEQSOOLOFLJ-MHZLTWQESA-N 0 0 588.638 5.656 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970460 553954428 /nfs/dbraw/zinc/95/44/28/553954428.db2.gz PCEVXAMAPWSBRQ-WHLCRQNOSA-N 0 0 610.688 6.314 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970461 553954434 /nfs/dbraw/zinc/95/44/34/553954434.db2.gz PCEVXAMAPWSBRQ-GDJIYFAZSA-N 0 0 610.688 6.314 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970511 553954912 /nfs/dbraw/zinc/95/49/12/553954912.db2.gz RRCHHMLAVJLNHH-YMGMXPECSA-N 0 0 605.112 7.244 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000033358372 553955010 /nfs/dbraw/zinc/95/50/10/553955010.db2.gz JGPIOYZQRYJONS-QABMSTFYSA-N 0 0 538.600 5.751 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000033358437 553955769 /nfs/dbraw/zinc/95/57/69/553955769.db2.gz ROBLFUDGKWWUMO-UZTOHYMASA-N 0 0 616.574 6.220 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970607 553956367 /nfs/dbraw/zinc/95/63/67/553956367.db2.gz DPQXPCMMJSXXTO-GDLZYMKVSA-N 0 0 616.692 6.437 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000033358534 553956545 /nfs/dbraw/zinc/95/65/45/553956545.db2.gz DPDCDUURDPXDPT-POKSHJSXSA-N 0 0 603.725 5.448 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970659 553957161 /nfs/dbraw/zinc/95/71/61/553957161.db2.gz MLYLDZZQDADUFG-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970662 553957237 /nfs/dbraw/zinc/95/72/37/553957237.db2.gz PXYVXUHYEVJBPG-NSYGIPOTSA-N 0 0 558.656 6.024 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097970700 553957504 /nfs/dbraw/zinc/95/75/04/553957504.db2.gz WZKVPONGTKWLDM-LGGPFLRQSA-N 0 0 559.663 5.453 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970740 553958319 /nfs/dbraw/zinc/95/83/19/553958319.db2.gz AGQVTINAONGDGH-DEOSSOPVSA-N 0 0 577.456 6.230 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000097970958 553959907 /nfs/dbraw/zinc/95/99/07/553959907.db2.gz JDZJEOAVSIVZTH-MUUNZHRXSA-N 0 0 591.502 5.247 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000097970985 553960188 /nfs/dbraw/zinc/96/01/88/553960188.db2.gz SHOFXJQHOOYZOW-IVCQMTBJSA-N 0 0 564.432 5.308 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(C)cc1 ZINC000097971025 553960620 /nfs/dbraw/zinc/96/06/20/553960620.db2.gz MYPKPAOOFVQHJY-WJOKGBTCSA-N 0 0 596.650 9.817 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000033579844 553963147 /nfs/dbraw/zinc/96/31/47/553963147.db2.gz UBICWCMSBMFDNO-MHZLTWQESA-N 0 0 514.650 7.486 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000033660745 553966720 /nfs/dbraw/zinc/96/67/20/553966720.db2.gz IANLMMSZNQCCOB-RWCIVJTCSA-N 0 0 519.711 6.806 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000033672833 553967334 /nfs/dbraw/zinc/96/73/34/553967334.db2.gz JKFKMINDMPDCDA-MDWZMJQESA-N 0 0 507.587 5.361 50 30 KKEARN CCCCCCCCCN(CCCCCCCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097972960 553967737 /nfs/dbraw/zinc/96/77/37/553967737.db2.gz PJAGGZMJSFPMFA-UHFFFAOYSA-N 0 0 615.559 10.055 50 30 KKEARN O=C(Oc1ccccc1)c1ccc(OC(F)=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)cc1 ZINC000097976927 553973475 /nfs/dbraw/zinc/97/34/75/553973475.db2.gz NWRVRYHRTBABAE-UHFFFAOYSA-N 0 0 558.290 7.947 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097976986 553973642 /nfs/dbraw/zinc/97/36/42/553973642.db2.gz FRARYUNXAAWPBM-NRFANRHFSA-N 0 0 518.784 8.919 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097977068 553974037 /nfs/dbraw/zinc/97/40/37/553974037.db2.gz MKTCAQVXNLSYSS-OAQYLSRUSA-N 0 0 587.883 8.249 50 30 KKEARN N#C[C@@]1(C(N)=O)[C@H]2C=Cc3cc(F)ccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000033821834 553974326 /nfs/dbraw/zinc/97/43/26/553974326.db2.gz HEUYJHKURFMFMC-CHQSNSNVSA-N 0 0 506.364 5.378 50 30 KKEARN O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979026 553975827 /nfs/dbraw/zinc/97/58/27/553975827.db2.gz RUVCBCJIWVQJJO-UHFFFAOYSA-N 0 0 653.628 5.738 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000033930660 553977073 /nfs/dbraw/zinc/97/70/73/553977073.db2.gz CQDCUECLKPTFHI-FDPMZEKSSA-N 0 0 533.665 6.194 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1 ZINC000097979244 553977544 /nfs/dbraw/zinc/97/75/44/553977544.db2.gz GDHPDRDCKNIOQU-XYGWBWBKSA-N 0 0 555.750 7.148 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c1 ZINC000034107302 553980641 /nfs/dbraw/zinc/98/06/41/553980641.db2.gz KEEXZZOCKJSUPX-JJIBRWJFSA-N 0 0 505.665 5.650 50 30 KKEARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000034367181 553981550 /nfs/dbraw/zinc/98/15/50/553981550.db2.gz LDDJGQKLJHFNQV-CWTOASCOSA-N 0 0 522.988 5.026 50 30 KKEARN CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000097979819 553982715 /nfs/dbraw/zinc/98/27/15/553982715.db2.gz SJCQKDZITVLYRU-PGMHBOJBSA-N 0 0 560.610 6.594 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@H](CC(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000097979876 553983364 /nfs/dbraw/zinc/98/33/64/553983364.db2.gz UFHWLRATZLTHKV-IWRMORTISA-N 0 0 651.785 6.989 50 30 KKEARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21)N1CCS/C1=N\CCc1ccccc1 ZINC000097980291 553987222 /nfs/dbraw/zinc/98/72/22/553987222.db2.gz AXJVBNUIIWWPEJ-QVTSOHHYSA-N 0 0 540.903 7.650 50 30 KKEARN CCOC(=O)C1=C(CC)Nc2ccccc2NC1=NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000097980360 553987818 /nfs/dbraw/zinc/98/78/18/553987818.db2.gz AEWFIKUODAQYEM-UHFFFAOYSA-N 0 0 567.067 5.469 50 30 KKEARN O=C(/C=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000097981250 553992371 /nfs/dbraw/zinc/99/23/71/553992371.db2.gz DCRKLHRGSWBQSJ-RMKNXTFCSA-N 0 0 529.379 6.717 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)cc1 ZINC000097981634 553995964 /nfs/dbraw/zinc/99/59/64/553995964.db2.gz IXAHGQJUAXOYEY-RNIAWFEPSA-N 0 0 608.782 5.540 50 30 KKEARN N#CC(CC(=O)N1CCCc2ccccc21)(CC(=O)N1CCCc2ccccc21)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000097982705 554005203 /nfs/dbraw/zinc/00/52/03/554005203.db2.gz OQRGQGVZBXIYNS-UHFFFAOYSA-N 0 0 615.586 7.617 50 30 KKEARN O=S(=O)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000097982998 554006998 /nfs/dbraw/zinc/00/69/98/554006998.db2.gz YDHLYFBTUDKBCQ-UHFFFAOYSA-N 0 0 551.260 5.697 50 30 KKEARN O=C(CC1(C(F)(F)F)OCCO1)Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000097983243 554008239 /nfs/dbraw/zinc/00/82/39/554008239.db2.gz VEWOGFIIXNRSRZ-UHFFFAOYSA-N 0 0 563.344 5.637 50 30 KKEARN CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1 ZINC000097983744 554011317 /nfs/dbraw/zinc/01/13/17/554011317.db2.gz NLSJNEVIWSQIPX-UHFFFAOYSA-N 0 0 545.101 6.898 50 30 KKEARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)Nc2cccc(C#N)c2)C(C)C)cc1OC ZINC000034829464 554011873 /nfs/dbraw/zinc/01/18/73/554011873.db2.gz JXEIATJRYMMLKG-UHFFFAOYSA-N 0 0 520.655 5.151 50 30 KKEARN CCCCCCCCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000097984628 554017544 /nfs/dbraw/zinc/01/75/44/554017544.db2.gz ANCOTLPQKKNPFN-UHFFFAOYSA-N 0 0 520.743 7.619 50 30 KKEARN CCN(CC)[P@](=O)(Nc1ccc(SC(F)F)cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000097984691 554017947 /nfs/dbraw/zinc/01/79/47/554017947.db2.gz SLWLVLUXNHVLCP-KXQOOQHDSA-N 0 0 615.474 7.251 50 30 KKEARN N#C[C@@]12CN(c3ccc(F)cc3)C[C@@](C#N)(C3=NCN(c4ccc(F)cc4)CN3C1=S)C21CCCCC1 ZINC000034843008 554021022 /nfs/dbraw/zinc/02/10/22/554021022.db2.gz KGJGNOSDMPHVNN-RRPNLBNLSA-N 0 0 516.621 5.232 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(=Cc1cccs1)n1nnnc1-c1ccccc1 ZINC000097985665 554023201 /nfs/dbraw/zinc/02/32/01/554023201.db2.gz VLPJHHODBWPUCZ-UDWIEESQSA-N 0 0 508.489 5.287 50 30 KKEARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc12 ZINC000034914189 554029389 /nfs/dbraw/zinc/02/93/89/554029389.db2.gz XZHAMZBFUACTEV-CYBMUJFWSA-N 0 0 508.600 5.388 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C ZINC000035154900 554036378 /nfs/dbraw/zinc/03/63/78/554036378.db2.gz LRVBWQIMTYUESZ-UHFFFAOYSA-N 0 0 505.615 5.205 50 30 KKEARN CCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000097996957 554038926 /nfs/dbraw/zinc/03/89/26/554038926.db2.gz RTURHBWNUJSZBO-UHFFFAOYSA-N 0 0 524.786 10.335 50 30 biogenic KKEARN CCCCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000097997028 554039215 /nfs/dbraw/zinc/03/92/15/554039215.db2.gz BSVGTIRFYKREEA-KTMFPKCZSA-N 0 0 506.712 7.245 50 30 KKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000097997015 554039253 /nfs/dbraw/zinc/03/92/53/554039253.db2.gz DRLWUIYQAYZENU-LVZFUZTISA-N 0 0 570.490 8.722 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c1ccccc1 ZINC000097997144 554039845 /nfs/dbraw/zinc/03/98/45/554039845.db2.gz DSBUKBLPTQSWQX-NDEPHWFRSA-N 0 0 508.703 6.346 50 30 biogenic KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)c1ccccc1 ZINC000097997146 554039967 /nfs/dbraw/zinc/03/99/67/554039967.db2.gz LADVAKASJKCARK-UMSFTDKQSA-N 0 0 592.865 8.686 50 30 biogenic KKEARN CCCCCCCCCCCCOc1ccc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000097997806 554040598 /nfs/dbraw/zinc/04/05/98/554040598.db2.gz BHIHXPKCAJJKIP-LZBRRTOVSA-N 0 0 515.782 9.910 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCC)cc3)cc2)cc1 ZINC000097997850 554040855 /nfs/dbraw/zinc/04/08/55/554040855.db2.gz PGLSJHBDQJVLDK-UHFFFAOYSA-N 0 0 542.760 10.055 50 30 biogenic KKEARN COc1cc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000035178992 554040906 /nfs/dbraw/zinc/04/09/06/554040906.db2.gz WGYCSRDVRFMMCR-WOJGMQOQSA-N 0 0 505.523 5.303 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1ccc(CCCC)cc1 ZINC000035251989 554042452 /nfs/dbraw/zinc/04/24/52/554042452.db2.gz WBEVPECUQMTUDG-UHFFFAOYSA-N 0 0 534.722 6.008 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000097999532 554043752 /nfs/dbraw/zinc/04/37/52/554043752.db2.gz YILNJXSUBSYVEX-GMCHKSTQSA-N 0 0 583.556 8.992 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097999553 554044032 /nfs/dbraw/zinc/04/40/32/554044032.db2.gz NHMNUJPQHOBVOI-AOYPEHQESA-N 0 0 570.281 7.027 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NC4CCCCC4)sc3c2)cc1 ZINC000097999587 554044328 /nfs/dbraw/zinc/04/43/28/554044328.db2.gz AXACRHGZMXUWAB-UHFFFAOYSA-N 0 0 581.848 8.609 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000035369321 554045001 /nfs/dbraw/zinc/04/50/01/554045001.db2.gz GHPFPMADBAZKRL-GFQWBHFJSA-N 0 0 513.981 5.164 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Br)cc3)N4)sc2C1 ZINC000097999699 554045347 /nfs/dbraw/zinc/04/53/47/554045347.db2.gz OZWWIMMXYQWFBR-YOMUGFJLSA-N 0 0 606.512 7.642 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097999745 554045662 /nfs/dbraw/zinc/04/56/62/554045662.db2.gz KVFGNMQCZMIODP-BYUPDSDESA-N 0 0 649.187 8.637 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OCC ZINC000098000266 554049493 /nfs/dbraw/zinc/04/94/93/554049493.db2.gz VSLRRTSWGWZTCD-MUUNZHRXSA-N 0 0 577.729 5.852 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OCC ZINC000098000265 554049609 /nfs/dbraw/zinc/04/96/09/554049609.db2.gz VSLRRTSWGWZTCD-NDEPHWFRSA-N 0 0 577.729 5.852 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3cc(I)cc(I)c3OCc3ccccc3)nc(N3CCC(C)CC3)n2)c1C ZINC000098000448 554051222 /nfs/dbraw/zinc/05/12/22/554051222.db2.gz WSERLOHECWJBRY-FABQOPTDSA-N 0 0 773.461 7.703 50 30 KKEARN COc1cc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3C2(C#N)C#N)cc(OC)c1OC ZINC000098001295 554052239 /nfs/dbraw/zinc/05/22/39/554052239.db2.gz FHBZUDBAIFYDEA-PFBJBMPXSA-N 0 0 525.992 5.650 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000098001290 554052270 /nfs/dbraw/zinc/05/22/70/554052270.db2.gz CDONJJYVVCOLBI-UHFFFAOYSA-N 0 0 540.285 6.416 50 30 KKEARN CCCCCCCOc1ccccc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000098001620 554052789 /nfs/dbraw/zinc/05/27/89/554052789.db2.gz AZOZFSBYRDVUBM-VDMRZKTOSA-N 0 0 684.815 6.740 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 ZINC000098002649 554053913 /nfs/dbraw/zinc/05/39/13/554053913.db2.gz BLFJLRRZNABQAV-UHFFFAOYSA-N 0 0 577.772 9.269 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000098003652 554055642 /nfs/dbraw/zinc/05/56/42/554055642.db2.gz DIGWGDPLQSYITM-SXZDHJFLSA-N 0 0 627.568 8.892 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000098003670 554055930 /nfs/dbraw/zinc/05/59/30/554055930.db2.gz KVLDDYINIVMPGU-NLGDKJDOSA-N 0 0 548.683 7.081 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000098003693 554055944 /nfs/dbraw/zinc/05/59/44/554055944.db2.gz NEQHEVFVTKQCLB-KGMZSHBCSA-N 0 0 640.689 6.546 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000098003707 554056234 /nfs/dbraw/zinc/05/62/34/554056234.db2.gz LHJPIRDZRCYIRV-SIBVEZHUSA-N 0 0 555.394 7.220 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@H](Cc1ccccc1)C(=O)OC ZINC000035494245 554056795 /nfs/dbraw/zinc/05/67/95/554056795.db2.gz VBZABTLPKKERQO-XRFXZYFTSA-N 0 0 521.698 6.038 50 30 biogenic KKEARN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000098005101 554056926 /nfs/dbraw/zinc/05/69/26/554056926.db2.gz UIPRVOHKUAQBMO-UHFFFAOYSA-N 0 0 610.438 8.617 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000098005891 554059181 /nfs/dbraw/zinc/05/91/81/554059181.db2.gz KTMKKWRLCQHBMN-HHHXNRCGSA-N 0 0 526.942 5.613 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000098006005 554060326 /nfs/dbraw/zinc/06/03/26/554060326.db2.gz TZRVDDSFBDVYBB-KRWDZBQOSA-N 0 0 544.529 7.301 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000098006056 554060440 /nfs/dbraw/zinc/06/04/40/554060440.db2.gz VDARTNPSKWQPBI-GOSISDBHSA-N 0 0 555.081 6.556 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@H]2c1ccccc1F ZINC000098006274 554061072 /nfs/dbraw/zinc/06/10/72/554061072.db2.gz SAYOWDNUXMUCJB-SFHVURJKSA-N 0 0 561.626 7.152 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccc(Cl)cc1 ZINC000098006313 554061099 /nfs/dbraw/zinc/06/10/99/554061099.db2.gz YXOQJMNACAVNEN-SFHVURJKSA-N 0 0 544.529 7.301 50 30 KKEARN CCOc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)cc1-n1nc2ccccc2n1 ZINC000098007308 554063599 /nfs/dbraw/zinc/06/35/99/554063599.db2.gz GKFWVPKKGOFOHH-UHFFFAOYSA-N 0 0 569.690 7.721 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008040 554065740 /nfs/dbraw/zinc/06/57/40/554065740.db2.gz YTTIWACZDOHBJN-UZINWLIJSA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008098 554065930 /nfs/dbraw/zinc/06/59/30/554065930.db2.gz MLPZCJOKPVCFRF-WNGDZKDKSA-N 0 0 551.567 5.466 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008140 554066383 /nfs/dbraw/zinc/06/63/83/554066383.db2.gz WQXHJCZDMFEWOQ-TYPXCFOJSA-N 0 0 550.076 6.429 50 30 KKEARN Cc1sc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nc2ccccc2s1 ZINC000098008405 554067524 /nfs/dbraw/zinc/06/75/24/554067524.db2.gz JHINIGKCBTXXLQ-MUUNZHRXSA-N 0 0 557.766 7.565 50 30 KKEARN Cc1nc(SCC(=O)OCCN(C)C(=O)CSc2nc(C)c(Cl)c(C)c2C#N)c(Cl)c(C)c1Cl ZINC000098008438 554067581 /nfs/dbraw/zinc/06/75/81/554067581.db2.gz BIWYHHNHCKPPIC-UHFFFAOYSA-N 0 0 561.944 5.428 50 30 KKEARN CC[C@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724731 554068043 /nfs/dbraw/zinc/06/80/43/554068043.db2.gz CJTZDWJDCJLPBF-SCLBCKFNSA-N 0 0 513.421 5.014 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724727 554068077 /nfs/dbraw/zinc/06/80/77/554068077.db2.gz CJTZDWJDCJLPBF-UGSOOPFHSA-N 0 0 513.421 5.014 50 30 KKEARN CCOc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000098009114 554069357 /nfs/dbraw/zinc/06/93/57/554069357.db2.gz MKMDHEHRNYIKBC-UHFFFAOYSA-N 0 0 562.659 6.799 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2scc(-c3ccccc3Cl)c2c1=O ZINC000098009732 554070722 /nfs/dbraw/zinc/07/07/22/554070722.db2.gz QKLFUVCZJZFACB-UHFFFAOYSA-N 0 0 614.214 7.202 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2ccc(C)o2)ccc1OC(C)C ZINC000035824135 554079066 /nfs/dbraw/zinc/07/90/66/554079066.db2.gz IWBKTFLUPHSHET-MWXNICTNSA-N 0 0 535.637 5.468 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000035839821 554080410 /nfs/dbraw/zinc/08/04/10/554080410.db2.gz HFIQWQANEHIAQI-WVMBUTMQSA-N 0 0 517.569 5.851 50 30 KKEARN CCCCCCCCC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000098016957 554105037 /nfs/dbraw/zinc/10/50/37/554105037.db2.gz PAEMSTDESVXGSU-UHFFFAOYSA-N 0 0 530.757 7.239 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCCCC1 ZINC000098017038 554105570 /nfs/dbraw/zinc/10/55/70/554105570.db2.gz NGKATRBWWXRYTL-UHFFFAOYSA-N 0 0 505.128 7.099 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035973767 554114844 /nfs/dbraw/zinc/11/48/44/554114844.db2.gz PVTKLYMWOWPFFV-ZEZBYCSMSA-N 0 0 518.868 7.350 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(C)C ZINC000098019914 554115351 /nfs/dbraw/zinc/11/53/51/554115351.db2.gz CYVJGRRDLCWWQH-UHFFFAOYSA-N 0 0 544.802 7.023 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000098020007 554115993 /nfs/dbraw/zinc/11/59/93/554115993.db2.gz MZVUMCHDBISBAA-UHFFFAOYSA-N 0 0 560.625 6.456 50 30 KKEARN C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1 ZINC000098042717 554121714 /nfs/dbraw/zinc/12/17/14/554121714.db2.gz LDXVKNRLFUIKHA-YSURURNPSA-N 0 0 592.151 5.546 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCC(C(N)=O)CC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000098042788 554122365 /nfs/dbraw/zinc/12/23/65/554122365.db2.gz TZONEEZXUXMFGP-HHHXNRCGSA-N 0 0 555.506 5.334 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000098042804 554122377 /nfs/dbraw/zinc/12/23/77/554122377.db2.gz XOIXFHGRDIXCQX-PRAQEBQASA-N 0 0 575.517 8.278 50 30 KKEARN CC(C)(C)C(=O)Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)C(C)(C)C)c4)c(F)c3F)c(F)c2F)c1 ZINC000098042836 554122622 /nfs/dbraw/zinc/12/26/22/554122622.db2.gz MRHMOQUZKZUFBD-UHFFFAOYSA-N 0 0 680.592 10.020 50 30 KKEARN CCOC(=O)[C@](O)(c1ccc(N(C)C(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000098042926 554123187 /nfs/dbraw/zinc/12/31/87/554123187.db2.gz CAGGYOZRKVWOBV-HXUWFJFHSA-N 0 0 590.439 5.085 50 30 KKEARN C#Cc1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000098043432 554127381 /nfs/dbraw/zinc/12/73/81/554127381.db2.gz SZMFOQSNRQNJAP-UHFFFAOYSA-N 0 0 562.837 5.519 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000098044510 554128776 /nfs/dbraw/zinc/12/87/76/554128776.db2.gz AKZIPLUCSFNIMD-QFIPXVFZSA-N 0 0 601.910 6.863 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000098045101 554130613 /nfs/dbraw/zinc/13/06/13/554130613.db2.gz OCCIWBOBEZQMLM-UVDDSOTQSA-N 0 0 539.462 8.204 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000098045110 554130685 /nfs/dbraw/zinc/13/06/85/554130685.db2.gz WLXUQGHDYHDFMU-JPQMRUPTSA-N 0 0 569.488 8.216 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(-c4ccc(OC)cc4)cc3)o2)cc1 ZINC000098045152 554130886 /nfs/dbraw/zinc/13/08/86/554130886.db2.gz JKZLHLLFNHKKQD-UHFFFAOYSA-N 0 0 568.802 10.939 50 30 KKEARN CCCCCc1nc(NC(=O)COc2ccc(Cl)cc2Cl)c(C#N)c(-c2ccc(OC)cc2)c1CCCC ZINC000098045118 554130899 /nfs/dbraw/zinc/13/08/99/554130899.db2.gz MSUWVGJTZURNFD-UHFFFAOYSA-N 0 0 554.518 8.028 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000098045241 554131239 /nfs/dbraw/zinc/13/12/39/554131239.db2.gz MVQGIUXJCBTBCJ-ZWVRTZEQSA-N 0 0 653.573 7.998 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098045520 554132104 /nfs/dbraw/zinc/13/21/04/554132104.db2.gz VUUKKIBGXQADFA-CGDLVVIGSA-N 0 0 620.702 6.944 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000098045529 554132192 /nfs/dbraw/zinc/13/21/92/554132192.db2.gz YBNBMNSKFYNOGI-WKRVVKTRSA-N 0 0 568.004 7.602 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000098046588 554141168 /nfs/dbraw/zinc/14/11/68/554141168.db2.gz JEVKWNXPRIJJAZ-NRFANRHFSA-N 0 0 524.323 5.281 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=O)c1ccc(OC)cc1 ZINC000036030213 554142701 /nfs/dbraw/zinc/14/27/01/554142701.db2.gz QGHGQVXYOIFWAO-UHFFFAOYSA-N 0 0 516.063 5.003 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046707 554142757 /nfs/dbraw/zinc/14/27/57/554142757.db2.gz BFNNYBUEYBOWGB-WJOKGBTCSA-N 0 0 588.685 7.392 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046708 554142872 /nfs/dbraw/zinc/14/28/72/554142872.db2.gz BFNNYBUEYBOWGB-HKBQPEDESA-N 0 0 588.685 7.392 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047102 554146732 /nfs/dbraw/zinc/14/67/32/554146732.db2.gz XHKWMZYXYZBFIT-XMMPIXPASA-N 0 0 562.644 5.683 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000098047199 554147725 /nfs/dbraw/zinc/14/77/25/554147725.db2.gz OXHOXQLBBPTAKR-UHFFFAOYSA-N 0 0 564.427 7.311 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=S)Nc1ccc(OC)cc1 ZINC000036040628 554149907 /nfs/dbraw/zinc/14/99/07/554149907.db2.gz HJSFXJJJVSXSOQ-UHFFFAOYSA-N 0 0 526.728 5.215 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCc1ccc(Cl)cc1 ZINC000098047541 554152786 /nfs/dbraw/zinc/15/27/86/554152786.db2.gz WCFXFNHGIJDTMJ-UHFFFAOYSA-N 0 0 528.958 8.303 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098047670 554154452 /nfs/dbraw/zinc/15/44/52/554154452.db2.gz XPTKQHHOQUBYJE-XMMPIXPASA-N 0 0 546.645 5.983 50 30 KKEARN Cc1ccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)cc1 ZINC000098047756 554155532 /nfs/dbraw/zinc/15/55/32/554155532.db2.gz MVDILWIHXYDEBW-UMSFTDKQSA-N 0 0 604.703 6.277 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047818 554156724 /nfs/dbraw/zinc/15/67/24/554156724.db2.gz CRRFIUIIKNISEE-PMERELPUSA-N 0 0 651.810 8.081 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048039 554158893 /nfs/dbraw/zinc/15/88/93/554158893.db2.gz MTZASBOPPMJIGY-YHAMSUFESA-N 0 0 544.604 6.331 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1 ZINC000036055558 554159370 /nfs/dbraw/zinc/15/93/70/554159370.db2.gz RFTDMEYEJUUWFH-UHFFFAOYSA-N 0 0 504.512 5.825 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098048818 554161784 /nfs/dbraw/zinc/16/17/84/554161784.db2.gz MXXAYPDISSOEOL-RUZDIDTESA-N 0 0 540.454 5.814 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2[C@@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049872 554169787 /nfs/dbraw/zinc/16/97/87/554169787.db2.gz JBXPMLAMRLXQDA-URLMMPGGSA-N 0 0 510.634 6.487 50 30 KKEARN [NH3+]Cc1ccc(OCCCc2sc(-c3ccc4c(c3)C(=NN=c3[nH]c5ccccc5s3)CCC4)nc2C(=O)[O-])cc1 ZINC000098209595 554177054 /nfs/dbraw/zinc/17/70/54/554177054.db2.gz JKMWZKPAXZBYEH-JWHWKPFMSA-N 0 0 583.739 6.741 50 30 in-vitro KKEARN O=[N+]([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3Br)cc2)c(Br)c1 ZINC000100003986 554177800 /nfs/dbraw/zinc/17/78/00/554177800.db2.gz MFBYGWWYIGEHJQ-ASIDMNOUSA-N 0 0 532.148 6.529 50 30 KKEARN C=CCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)c1cccc(Br)c1 ZINC000036115014 554178841 /nfs/dbraw/zinc/17/88/41/554178841.db2.gz CRKZYBUPFUDIHA-UHFFFAOYSA-N 0 0 503.418 5.330 50 30 KKEARN C=C1[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C[C@@H]1n1cnc2c1nc(N)nc2OCc1ccccc1 ZINC000100008623 554180016 /nfs/dbraw/zinc/18/00/16/554180016.db2.gz NZZOWGOYNQDEDC-AWCRTANDSA-N 0 0 547.659 5.907 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1 ZINC000036116056 554180488 /nfs/dbraw/zinc/18/04/88/554180488.db2.gz LOKMKIBETAUIFJ-DEOSSOPVSA-N 0 0 511.043 5.243 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc2cc3ccc(/N=C/c4cc(Br)ccc4O)cc3nc2c1 ZINC000100009320 554180595 /nfs/dbraw/zinc/18/05/95/554180595.db2.gz FAVVRJPDJNEVEI-WCZMLVOGSA-N 0 0 575.260 7.825 50 30 KKEARN CCOc1cccc(C(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1 ZINC000100025379 554183355 /nfs/dbraw/zinc/18/33/55/554183355.db2.gz JUTGHDRYJVSENZ-UHFFFAOYSA-N 0 0 591.320 7.396 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)Cc1ccccc1 ZINC000036117131 554184251 /nfs/dbraw/zinc/18/42/51/554184251.db2.gz HGJQVAJTSNUHAX-HHHXNRCGSA-N 0 0 502.680 5.634 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(OC)cc1 ZINC000036117113 554184261 /nfs/dbraw/zinc/18/42/61/554184261.db2.gz AVBWJXNROSYTEY-HHHXNRCGSA-N 0 0 518.679 5.713 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)/N=c1\cc2oc3cc(N(CC)CC)ccc3nc-2c2ccccc21 ZINC000100035953 554189917 /nfs/dbraw/zinc/18/99/17/554189917.db2.gz MYWBZQJIXVRCJC-JQJRJOTLSA-N 0 0 583.861 10.621 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(C=Nc2cccc(Br)c2)c2ccccc21 ZINC000100039201 554191561 /nfs/dbraw/zinc/19/15/61/554191561.db2.gz ROCBZBJWHGJNNW-CJWNEDCRSA-N 0 0 533.425 6.402 50 30 KKEARN Cc1cc(Cc2ccc(/N=C/c3ccc(C#Cc4ccccc4)cc3)c(C)c2)ccc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000100041890 554192660 /nfs/dbraw/zinc/19/26/60/554192660.db2.gz SWQZXKQRPNEERV-IXSCGUPESA-N 0 0 602.781 10.195 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000100046008 554193500 /nfs/dbraw/zinc/19/35/00/554193500.db2.gz IVVCRKBYYVJDPL-BUVRLJJBSA-N 0 0 517.538 7.720 50 30 KKEARN Cc1ccc(/N=C\c2ccc(OC(=O)CCCCCCC(=O)Oc3ccc(/C=N\c4ccc(C)cc4)cc3)cc2)cc1 ZINC000100045472 554193568 /nfs/dbraw/zinc/19/35/68/554193568.db2.gz KHMHGYMLAFXSFQ-MEDPLMNLSA-N 0 0 560.694 8.656 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1 ZINC000036122615 554194329 /nfs/dbraw/zinc/19/43/29/554194329.db2.gz DYMTVDAMEDHDBK-DEOSSOPVSA-N 0 0 524.086 6.243 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)CCCC2 ZINC000100049680 554194342 /nfs/dbraw/zinc/19/43/42/554194342.db2.gz UZWWUGJQQNNJRM-VPUKRXIYSA-N 0 0 599.175 8.660 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2cc(Br)cc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)c2)ccc1Br ZINC000100049223 554194360 /nfs/dbraw/zinc/19/43/60/554194360.db2.gz VHYUADMEMVCSEY-JTZQCBLNSA-N 0 0 611.044 7.292 50 30 KKEARN Brc1ccc(C2=NN(c3ccc(/C=N/n4cnnc4)cc3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000100055354 554195923 /nfs/dbraw/zinc/19/59/23/554195923.db2.gz WIATUOPGEFVMTJ-GHSKZQDZSA-N 0 0 550.258 6.041 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(Br)cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100056747 554196513 /nfs/dbraw/zinc/19/65/13/554196513.db2.gz XUOQGPGOSUPFIT-MNDYBZJGSA-N 0 0 572.509 8.440 50 30 KKEARN Cc1c(Cl)cccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100056763 554196749 /nfs/dbraw/zinc/19/67/49/554196749.db2.gz RGHLGWFSAQHTCE-XYRRZJNVSA-N 0 0 547.998 6.510 50 30 KKEARN CC(C=Cc1ccc(N(C)C)cc1)=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000100059369 554197585 /nfs/dbraw/zinc/19/75/85/554197585.db2.gz LYEFLPDXMONOOS-MYZUUNGGSA-N 0 0 504.443 5.038 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000100060792 554198195 /nfs/dbraw/zinc/19/81/95/554198195.db2.gz QNNKLGKXXUDCHC-IYMJQMKMSA-N 0 0 563.451 6.411 50 30 KKEARN Cc1ccc(NC(=O)N2CCS[C@@]23c2cc(Cl)ccc2N(Cc2cccc(C#N)c2)C3=O)cc1C ZINC000036163965 554199492 /nfs/dbraw/zinc/19/94/92/554199492.db2.gz NPWCVNGVYKESOI-HHHXNRCGSA-N 0 0 503.027 5.809 50 30 KKEARN CCCCCCCCC(CCCCCCCC)n1c2cc(Br)ccc2c2ccc(Br)cc21 ZINC000100070969 554201353 /nfs/dbraw/zinc/20/13/53/554201353.db2.gz HRUNMSCVUSIWQM-UHFFFAOYSA-N 0 0 563.462 11.362 50 30 KKEARN Cc1nnc(Sc2ccc(/C=N/c3ccc4nc(SCC(=O)N5CCOCC5)sc4c3)cc2[N+](=O)[O-])s1 ZINC000100070428 554201384 /nfs/dbraw/zinc/20/13/84/554201384.db2.gz KRWHHMSSIIDVMM-WYMPLXKRSA-N 0 0 572.719 5.217 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000100070728 554201405 /nfs/dbraw/zinc/20/14/05/554201405.db2.gz SJPNJEAAHACBOX-QHRGSVBCSA-N 0 0 534.681 8.008 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100073223 554202883 /nfs/dbraw/zinc/20/28/83/554202883.db2.gz PHPWAQPZOOYSQS-KPURRNSFSA-N 0 0 566.912 7.794 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc3ncccc3c2)N(Cc2ccccc2)C1=O ZINC000100075308 554204242 /nfs/dbraw/zinc/20/42/42/554204242.db2.gz BHQQKNQIDJHEGG-SSEVLGFUSA-N 0 0 515.063 7.063 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100077120 554204862 /nfs/dbraw/zinc/20/48/62/554204862.db2.gz MMUCCILRDZSCPY-UQBPGWFLSA-N 0 0 560.941 6.760 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100079614 554206072 /nfs/dbraw/zinc/20/60/72/554206072.db2.gz AZFAUORCPLFXHF-UZTOHYMASA-N 0 0 566.492 6.401 50 30 biogenic,in-vitro KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100079641 554206076 /nfs/dbraw/zinc/20/60/76/554206076.db2.gz YKANYHZMUSZSKF-KWMCUTETSA-N 0 0 600.937 6.967 50 30 KKEARN CCCCCCCCS(=O)(=O)C(=C(Nc1ccccc1)Nc1ccccc1)S(=O)(=O)CCCCCCCC ZINC000100085000 554208399 /nfs/dbraw/zinc/20/83/99/554208399.db2.gz UXQJITOLNULZLR-UHFFFAOYSA-N 0 0 562.842 7.888 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000100085071 554208403 /nfs/dbraw/zinc/20/84/03/554208403.db2.gz CKTVGHSEPCZJQC-LJQANCHMSA-N 0 0 532.341 5.826 50 30 KKEARN O=C1C[C@@H](SC(=NC(c2ccccc2)c2ccccc2)Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000100088985 554209998 /nfs/dbraw/zinc/20/99/98/554209998.db2.gz CZQCNULUIKKXBD-AREMUKBSSA-N 0 0 526.061 6.772 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000100095123 554215841 /nfs/dbraw/zinc/21/58/41/554215841.db2.gz ASMWQSGRKQBBQC-KRWDZBQOSA-N 0 0 538.370 5.887 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000100099322 554219501 /nfs/dbraw/zinc/21/95/01/554219501.db2.gz OFDWDWFEZUCUMS-CPHRPENTSA-N 0 0 529.869 5.504 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 ZINC000100099314 554219612 /nfs/dbraw/zinc/21/96/12/554219612.db2.gz OFDWDWFEZUCUMS-YJCKXXIQSA-N 0 0 529.869 5.504 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000100109930 554221077 /nfs/dbraw/zinc/22/10/77/554221077.db2.gz FWIODRQTOLXIMU-CMFCZQTISA-N 0 0 568.717 8.396 50 30 KKEARN COc1cc(C=Nc2ccccc2NC2=C(C(=S)Nc3ccccc3)C(=O)C[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000100110205 554221083 /nfs/dbraw/zinc/22/10/83/554221083.db2.gz RAOWLTRHMBECLX-JEGFGMATSA-N 0 0 591.733 7.715 50 30 KKEARN Cc1c(OCC(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000100110392 554221087 /nfs/dbraw/zinc/22/10/87/554221087.db2.gz XHVVSCDBVRJFKV-BNIPGBBVSA-N 0 0 533.584 6.804 50 30 KKEARN COc1cc(C=Nc2ccccc2NC2=C(C(=S)Nc3ccccc3)C(=O)C[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000100110203 554221199 /nfs/dbraw/zinc/22/11/99/554221199.db2.gz RAOWLTRHMBECLX-URYVGAHASA-N 0 0 591.733 7.715 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000100110666 554221594 /nfs/dbraw/zinc/22/15/94/554221594.db2.gz SDHGRTAWHXXHCG-GYRQNLHBSA-N 0 0 522.788 6.142 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000100112284 554222246 /nfs/dbraw/zinc/22/22/46/554222246.db2.gz HPORFGFFQCQFIT-TYFUNZDFSA-N 0 0 553.706 7.993 50 30 KKEARN COc1ccc(C2=C[C@](O)(c3ccc(OC)cc3)[C@H](C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000036367807 554224086 /nfs/dbraw/zinc/22/40/86/554224086.db2.gz WRBYXBXOFDTHRD-QTPVZJACSA-N 0 0 516.637 7.061 50 30 biogenic KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000100129964 554225456 /nfs/dbraw/zinc/22/54/56/554225456.db2.gz XUXXDWDSYCOFHM-GUNNUQNISA-N 0 0 589.670 5.209 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100129994 554225792 /nfs/dbraw/zinc/22/57/92/554225792.db2.gz XKFLLVBGOJZHKA-FPVUOMKESA-N 0 0 575.643 5.151 50 30 KKEARN CCCCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140094 554227242 /nfs/dbraw/zinc/22/72/42/554227242.db2.gz AUSAWBDWGJHVCE-UHFFFAOYSA-N 0 0 534.700 7.348 50 30 KKEARN Cc1ccc(S(=O)(=O)c2ccc(CN=Nc3nc4ccc(Br)cc4c(-c4ccccc4)n3)cc2[N+](=O)[O-])cc1 ZINC000100138725 554227277 /nfs/dbraw/zinc/22/72/77/554227277.db2.gz FGAWIYLCQLTMQF-OCSSWDANSA-N 0 0 602.470 6.555 50 30 KKEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100140141 554227332 /nfs/dbraw/zinc/22/73/32/554227332.db2.gz DTLFCWDWLRUKFK-SANMLTNESA-N 0 0 520.673 6.957 50 30 KKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000100138561 554227341 /nfs/dbraw/zinc/22/73/41/554227341.db2.gz ATBPRHWKWAODOY-HXUWFJFHSA-N 0 0 512.572 6.667 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142322 554228220 /nfs/dbraw/zinc/22/82/20/554228220.db2.gz KNXSZHYSUDQKBO-MEXAFARESA-N 0 0 566.079 6.076 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142325 554228321 /nfs/dbraw/zinc/22/83/21/554228321.db2.gz KNXSZHYSUDQKBO-CALDVZBHSA-N 0 0 566.079 6.076 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccccc2)cc1 ZINC000100142427 554228532 /nfs/dbraw/zinc/22/85/32/554228532.db2.gz RWEANZPJCXXVEZ-TUIIRILJSA-N 0 0 570.498 6.373 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000100144021 554229707 /nfs/dbraw/zinc/22/97/07/554229707.db2.gz UNUNQYHUEJWTCK-LCOYAIQXSA-N 0 0 609.411 6.471 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100151146 554231463 /nfs/dbraw/zinc/23/14/63/554231463.db2.gz WZKRXXLLIGYYBV-FPNNDXFKSA-N 0 0 601.099 5.876 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159297 554233747 /nfs/dbraw/zinc/23/37/47/554233747.db2.gz SCAHLAWCZOTXAT-IEXUWNMDSA-N 0 0 539.719 5.964 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100160356 554234585 /nfs/dbraw/zinc/23/45/85/554234585.db2.gz HCBCYLJNWCSAPY-LGPLSSKUSA-N 0 0 591.035 5.235 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000100160654 554234600 /nfs/dbraw/zinc/23/46/00/554234600.db2.gz JSLFCUFWBINBPF-QLCOJLISSA-N 0 0 602.634 5.501 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C ZINC000100165508 554236485 /nfs/dbraw/zinc/23/64/85/554236485.db2.gz LZJJHYYMFSRZPM-IPCXHYSGSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000100167097 554237082 /nfs/dbraw/zinc/23/70/82/554237082.db2.gz JOJFUNNYSOKKAF-VYPBHHFYSA-N 0 0 564.210 9.799 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1F ZINC000100167079 554237120 /nfs/dbraw/zinc/23/71/20/554237120.db2.gz BMZNRWWLPXKQBZ-QSJUQBOOSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1 ZINC000100168040 554237686 /nfs/dbraw/zinc/23/76/86/554237686.db2.gz ZJJZRTOCFQWAIC-QUPMIFSKSA-N 0 0 500.614 7.408 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172214 554238790 /nfs/dbraw/zinc/23/87/90/554238790.db2.gz KEELLPFJOYQDOD-GVXSCFBNSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172228 554238849 /nfs/dbraw/zinc/23/88/49/554238849.db2.gz ICEAWUPVSUAFDB-KSNOWIBYSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172923 554239330 /nfs/dbraw/zinc/23/93/30/554239330.db2.gz INORCXNPXLUGOT-YMSRPXOMSA-N 0 0 619.671 5.631 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100172989 554239349 /nfs/dbraw/zinc/23/93/49/554239349.db2.gz QKLGDXHVABNIOK-GVXSCFBNSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100173975 554239825 /nfs/dbraw/zinc/23/98/25/554239825.db2.gz FNTWPCWWNMIDFF-IEZKXTBUSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100173971 554239869 /nfs/dbraw/zinc/23/98/69/554239869.db2.gz FNTWPCWWNMIDFF-GVXSCFBNSA-N 0 0 578.637 5.554 50 30 KKEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100197795 554246135 /nfs/dbraw/zinc/24/61/35/554246135.db2.gz RBWIPUWYOPGDIN-YSURURNPSA-N 0 0 538.729 5.281 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000100198656 554246408 /nfs/dbraw/zinc/24/64/08/554246408.db2.gz QNMNCXCWISNFRE-QNGOZBTKSA-N 0 0 581.497 5.707 50 30 KKEARN C=CCN1c2cc(C(=O)OCC)ccc2N(CC)C1=CC=Cc1n(CC)c2ccc(C(=O)OCC)cc2[n+]1CC=CS(=O)(=O)[O-] ZINC000100210495 554248963 /nfs/dbraw/zinc/24/89/63/554248963.db2.gz GWZZILOLWHIPPR-MTJSOVHGSA-O 0 0 635.763 5.091 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1ccccc1C#N ZINC000100215709 554250071 /nfs/dbraw/zinc/25/00/71/554250071.db2.gz KCYKNCLYLMQBJU-AREMUKBSSA-N 0 0 541.003 5.931 50 30 KKEARN CCCCCCCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(OCC)cc2)cc1 ZINC000100225427 554253001 /nfs/dbraw/zinc/25/30/01/554253001.db2.gz QSOBKQTYAAWKHO-UHFFFAOYSA-N 0 0 513.642 5.254 50 30 KKEARN CC(NCc1ccco1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccccc1C)(C(F)(F)F)C(F)(F)F ZINC000100229869 554255304 /nfs/dbraw/zinc/25/53/04/554255304.db2.gz LBBBKMDJZKFSSJ-LIZYOPNSSA-N 0 0 539.476 6.097 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000100230053 554255790 /nfs/dbraw/zinc/25/57/90/554255790.db2.gz ZDLLCKVMXQWJKT-QFIPXVFZSA-N 0 0 547.382 5.263 50 30 KKEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000100231936 554257311 /nfs/dbraw/zinc/25/73/11/554257311.db2.gz ZERWWAULZJNCPA-BHGWPJFGSA-N 0 0 519.283 5.438 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000100236688 554258853 /nfs/dbraw/zinc/25/88/53/554258853.db2.gz HBHRQFDPBXGXSK-MXAYSNPKSA-N 0 0 585.465 7.454 50 30 KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000100236839 554258893 /nfs/dbraw/zinc/25/88/93/554258893.db2.gz PQCYMLJUMHVKDW-JJFYIABZSA-N 0 0 584.835 6.698 50 30 KKEARN O=C(COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000100238359 554259457 /nfs/dbraw/zinc/25/94/57/554259457.db2.gz NKXUCFXQABFUJF-UHFFFAOYSA-N 0 0 502.317 6.227 50 30 KKEARN C=CCc1cc(/C=C2/S/C(=N\c3ccc(OC)cc3)NC2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000100253194 554263497 /nfs/dbraw/zinc/26/34/97/554263497.db2.gz BEHKRSUWIXGZPI-PCLIKHOPSA-N 0 0 531.590 5.811 50 30 KKEARN O=C(CSc1ccc2ccccc2c1Br)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000038145474 554267400 /nfs/dbraw/zinc/26/74/00/554267400.db2.gz ZZTJUULXBBRWCD-UHFFFAOYSA-N 0 0 546.512 5.584 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1OC ZINC000100267438 554267442 /nfs/dbraw/zinc/26/74/42/554267442.db2.gz XZVFZEKLAAZXCO-AWIQUAFLSA-N 0 0 537.641 6.186 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3cc(C)ccc3C(C)C)c(OC)c2)SC1=S ZINC000100268691 554268548 /nfs/dbraw/zinc/26/85/48/554268548.db2.gz UORDFRABKYFPHQ-HAHDFKILSA-N 0 0 609.551 6.577 50 30 KKEARN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(C)=C(C(=O)OCC)C1c1ccc(OC)c(C#N)c1 ZINC000039431423 554279385 /nfs/dbraw/zinc/27/93/85/554279385.db2.gz ZCJOMEFUNZOHKP-UHFFFAOYSA-N 0 0 504.583 5.244 50 30 KKEARN COc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100286216 554280260 /nfs/dbraw/zinc/28/02/60/554280260.db2.gz GWJJHKARVPFBIU-DJQZHZENSA-N 0 0 529.552 5.557 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100293507 554285405 /nfs/dbraw/zinc/28/54/05/554285405.db2.gz VNNUFIPWIHOZBX-AUSIDOKSSA-N 0 0 586.343 8.205 50 30 KKEARN O=P(OCC(F)(F)F)(OCC(F)(F)F)O[C@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F ZINC000100293429 554285441 /nfs/dbraw/zinc/28/54/41/554285441.db2.gz AUNLMCZCNWMIKE-SECBINFHSA-N 0 0 503.081 6.746 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(F)cc3)c2C#N)cc1 ZINC000040486470 554286900 /nfs/dbraw/zinc/28/69/00/554286900.db2.gz FMSLMHVETBWGFO-UHFFFAOYSA-N 0 0 524.621 6.613 50 30 KKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000100306424 554294851 /nfs/dbraw/zinc/29/48/51/554294851.db2.gz WFXKSPVBPMAUAI-ZTKZIYFRSA-N 0 0 550.058 8.495 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000100307211 554295445 /nfs/dbraw/zinc/29/54/45/554295445.db2.gz DWIMSEOKPUTBLP-PAWMLQFGSA-N 0 0 592.039 6.579 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307662 554296120 /nfs/dbraw/zinc/29/61/20/554296120.db2.gz PUALPTSJLQXXSP-XDNZSQCXSA-N 0 0 552.096 6.177 50 30 KKEARN COc1cc(/C=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000100313376 554301837 /nfs/dbraw/zinc/30/18/37/554301837.db2.gz OIDQRBDWUYIXFN-UOYDRLAYSA-N 0 0 630.592 7.817 50 30 KKEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c1 ZINC000051103532 554329174 /nfs/dbraw/zinc/32/91/74/554329174.db2.gz IMHHNXXJZMOTJZ-UHFFFAOYSA-N 0 0 553.566 6.608 50 30 KKEARN CCc1c(C)nc(SCC(=O)c2ccc(C(=O)CSc3nc(C)c(CC)c(C)c3C#N)cc2)c(C#N)c1C ZINC000053254601 554330455 /nfs/dbraw/zinc/33/04/55/554330455.db2.gz DOUVVXKRAGHHSP-UHFFFAOYSA-N 0 0 542.730 6.528 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000053262027 554330583 /nfs/dbraw/zinc/33/05/83/554330583.db2.gz SJBYNNBZRQSUQG-GRMGDBHTSA-N 0 0 562.666 7.271 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348026 554330591 /nfs/dbraw/zinc/33/05/91/554330591.db2.gz ZKWDDVNXSRXPLB-FKQNOWLHSA-N 0 0 547.677 5.532 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000053262029 554330664 /nfs/dbraw/zinc/33/06/64/554330664.db2.gz SJBYNNBZRQSUQG-HUBRWUETSA-N 0 0 562.666 7.271 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000053305762 554332868 /nfs/dbraw/zinc/33/28/68/554332868.db2.gz SYEDVJYNDJMTSC-NDEPHWFRSA-N 0 0 559.449 7.054 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000053305891 554333034 /nfs/dbraw/zinc/33/30/34/554333034.db2.gz SVEWAMCLPLPZOI-VWLOTQADSA-N 0 0 536.422 5.561 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053306031 554333112 /nfs/dbraw/zinc/33/31/12/554333112.db2.gz QIMMJAOIZXJRKR-RUZDIDTESA-N 0 0 574.611 5.185 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306456 554334005 /nfs/dbraw/zinc/33/40/05/554334005.db2.gz MAUCDRQOPAYXFT-XMMPIXPASA-N 0 0 563.473 6.803 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000053319246 554336867 /nfs/dbraw/zinc/33/68/67/554336867.db2.gz LAPSBVORNIXTLS-UXCMTWRGSA-N 0 0 556.706 8.207 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000053319337 554337302 /nfs/dbraw/zinc/33/73/02/554337302.db2.gz AZKWSNWUUQBNSW-JOCHJYFZSA-N 0 0 527.802 5.675 50 30 KKEARN COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000053319362 554337520 /nfs/dbraw/zinc/33/75/20/554337520.db2.gz FMNFNISYRWLBMH-RUZDIDTESA-N 0 0 527.602 5.525 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000053319350 554337533 /nfs/dbraw/zinc/33/75/33/554337533.db2.gz INADFJDIUCLMBE-CXNHSUMOSA-N 0 0 568.733 8.876 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000053319506 554338575 /nfs/dbraw/zinc/33/85/75/554338575.db2.gz AWDWPLVUWSMPOS-YKGWIAGDSA-N 0 0 566.595 7.858 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000053331839 554338618 /nfs/dbraw/zinc/33/86/18/554338618.db2.gz GKUATCPTBMDKRI-DEOSSOPVSA-N 0 0 563.473 6.776 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccccc1Cl ZINC000053331884 554338648 /nfs/dbraw/zinc/33/86/48/554338648.db2.gz MSXXPQZWGAEBAC-PBUKZNKTSA-N 0 0 555.162 9.118 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053332860 554339482 /nfs/dbraw/zinc/33/94/82/554339482.db2.gz FPOLTNCYAIRVQD-AREMUKBSSA-N 0 0 558.612 5.484 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053333823 554339923 /nfs/dbraw/zinc/33/99/23/554339923.db2.gz WKGOUMMXCRKLTE-HAWMADMCSA-N 0 0 588.638 5.437 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334243 554340044 /nfs/dbraw/zinc/34/00/44/554340044.db2.gz OHACVFYIOILGTP-SANMLTNESA-N 0 0 528.630 6.412 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000053335512 554341031 /nfs/dbraw/zinc/34/10/31/554341031.db2.gz XHABPQRVFHKLBF-WWOZWPLTSA-N 0 0 592.648 7.121 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337617 554342290 /nfs/dbraw/zinc/34/22/90/554342290.db2.gz JMHYZDZIJMXVAJ-AREMUKBSSA-N 0 0 558.612 5.648 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000053338045 554342333 /nfs/dbraw/zinc/34/23/33/554342333.db2.gz WMZILVDFHOTMMZ-AREMUKBSSA-N 0 0 544.629 6.112 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000053337589 554342423 /nfs/dbraw/zinc/34/24/23/554342423.db2.gz IALIJHXKGKASDX-SANMLTNESA-N 0 0 538.625 6.324 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000053337458 554342438 /nfs/dbraw/zinc/34/24/38/554342438.db2.gz FTADURQGAGNWSA-SXSCYYOBSA-N 0 0 570.733 8.747 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000053338048 554342718 /nfs/dbraw/zinc/34/27/18/554342718.db2.gz WMZILVDFHOTMMZ-SANMLTNESA-N 0 0 544.629 6.112 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000053338836 554342779 /nfs/dbraw/zinc/34/27/79/554342779.db2.gz NFARGJHWKCNZPW-JXSYCYSGSA-N 0 0 562.113 7.549 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000053339163 554343224 /nfs/dbraw/zinc/34/32/24/554343224.db2.gz IMQXVDFAEYSWIE-URNDWHGUSA-N 0 0 578.753 8.252 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000053339166 554343293 /nfs/dbraw/zinc/34/32/93/554343293.db2.gz IMQXVDFAEYSWIE-JCVFDAPQSA-N 0 0 578.753 8.252 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000053339440 554343462 /nfs/dbraw/zinc/34/34/62/554343462.db2.gz SPIQTOOXWNGUBA-MUUNZHRXSA-N 0 0 586.666 6.265 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000053340092 554343981 /nfs/dbraw/zinc/34/39/81/554343981.db2.gz HWRMOMJNZOYLFC-PPHZAIPVSA-N 0 0 583.735 7.060 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354711 554344572 /nfs/dbraw/zinc/34/45/72/554344572.db2.gz NAJLLHGWNKKCAO-HSZRJFAPSA-N 0 0 542.813 6.211 50 30 KKEARN N#Cc1c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000053354428 554344735 /nfs/dbraw/zinc/34/47/35/554344735.db2.gz TYVJWXKVZKKMST-UHFFFAOYSA-N 0 0 562.119 8.862 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000053359597 554344907 /nfs/dbraw/zinc/34/49/07/554344907.db2.gz KVLDDYINIVMPGU-UKJJDJLKSA-N 0 0 548.683 7.081 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)c(Cl)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000053359659 554345276 /nfs/dbraw/zinc/34/52/76/554345276.db2.gz UMUDVBGORMEWBM-HEIROHQZSA-N 0 0 547.526 8.783 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000053359645 554345278 /nfs/dbraw/zinc/34/52/78/554345278.db2.gz IBKWWBSFNCQSPU-QNLPTKCRSA-N 0 0 540.635 7.093 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc(OC)c1OC ZINC000053359696 554345288 /nfs/dbraw/zinc/34/52/88/554345288.db2.gz UPIZWWQFBASRMW-OHZJNBGDSA-N 0 0 534.996 6.074 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2)cc1OC ZINC000053359680 554345302 /nfs/dbraw/zinc/34/53/02/554345302.db2.gz FWCDMNISLAQFNB-GJBXTBEHSA-N 0 0 565.069 7.572 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000053359691 554345355 /nfs/dbraw/zinc/34/53/55/554345355.db2.gz BZWSAHKQUOCUFU-RBBQXQBVSA-N 0 0 583.515 8.525 50 30 KKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c(OC)c1OC ZINC000053360242 554345466 /nfs/dbraw/zinc/34/54/66/554345466.db2.gz XUMPEUGFOXKETR-YMGMXPECSA-N 0 0 546.620 5.718 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000053360257 554345533 /nfs/dbraw/zinc/34/55/33/554345533.db2.gz GFDYQILSERCGFQ-OOXUFLSTSA-N 0 0 550.699 7.859 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000100361720 554345662 /nfs/dbraw/zinc/34/56/62/554345662.db2.gz RUCWVMQJDOJQQL-PGWWVJEZSA-N 0 0 554.068 5.569 50 30 KKEARN O=C(Nc1cccc(Br)c1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000100400393 554372640 /nfs/dbraw/zinc/37/26/40/554372640.db2.gz ZNDWDQAAOZJNFR-OKPNVDCHSA-N 0 0 528.859 6.263 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc([C@H](C)CC)cc3)c(OCC)c2)SC1=S ZINC000059211771 554384994 /nfs/dbraw/zinc/38/49/94/554384994.db2.gz YSOLHEZUSMVWLY-VWBBVOOFSA-N 0 0 546.154 7.487 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc([C@@H](C)CC)cc3)c(OCC)c2)SC1=S ZINC000059211772 554385053 /nfs/dbraw/zinc/38/50/53/554385053.db2.gz YSOLHEZUSMVWLY-YSRPOPIVSA-N 0 0 546.154 7.487 50 30 KKEARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3I)C(C#N)(C#N)[C@H]3c4ccccc4C=CN23)cc1 ZINC000059211959 554385522 /nfs/dbraw/zinc/38/55/22/554385522.db2.gz FJWQHXQAPBKUCW-ZWEKWIFMSA-N 0 0 541.392 6.009 50 30 KKEARN Cc1ccc2nc(-c3ccc(C)c(N=CC4=CC(=[NH+][N-]c5cccc(Br)c5)C=CC4=O)c3)oc2c1 ZINC000100428481 554390249 /nfs/dbraw/zinc/39/02/49/554390249.db2.gz YPHOZUXZWBCEAY-ZWBTVFMKSA-N 0 0 525.406 8.746 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000059503782 554400204 /nfs/dbraw/zinc/40/02/04/554400204.db2.gz DLBFHNPVNVPFLP-RCRUUEGKSA-N 0 0 587.514 6.775 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC23CC4CC(C2)CC(COS(=O)(=O)c2ccc(C)cc2)(C4)C3)cc1 ZINC000100482455 554402083 /nfs/dbraw/zinc/40/20/83/554402083.db2.gz VHYGSWGBJYAMHK-UHFFFAOYSA-N 0 0 504.670 5.001 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000059523484 554404578 /nfs/dbraw/zinc/40/45/78/554404578.db2.gz YUBYXUCXFNFAKH-UHFFFAOYSA-N 0 0 551.605 7.382 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000059524462 554405677 /nfs/dbraw/zinc/40/56/77/554405677.db2.gz KGNAKQDPRLPQRV-HSZRJFAPSA-N 0 0 550.961 5.991 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3nc4ccc(/N=C/c5ccc([N+](=O)[O-])cc5)cc4c(-c4ccccc4)n3)cc2)cc1 ZINC000100525965 554409834 /nfs/dbraw/zinc/40/98/34/554409834.db2.gz SATRWEXFSCLKHR-JTOYJDTJSA-N 0 0 578.588 8.281 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000059603584 554410212 /nfs/dbraw/zinc/41/02/12/554410212.db2.gz ZXGLJVVOZYJQSK-UKPGIYTDSA-N 0 0 568.626 5.441 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1c1ccccc1 ZINC000100534811 554412088 /nfs/dbraw/zinc/41/20/88/554412088.db2.gz FJZYBDBRBPCNQA-XYLGWBCRSA-N 0 0 543.063 8.484 50 30 KKEARN CN1C(=O)/C(=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2cc(Br)cc(Br)c21 ZINC000100536858 554412444 /nfs/dbraw/zinc/41/24/44/554412444.db2.gz NUVSMENRORVGDJ-TUKDOTBHSA-N 0 0 569.278 6.367 50 30 KKEARN CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)CC1 ZINC000100544002 554413413 /nfs/dbraw/zinc/41/34/13/554413413.db2.gz JQAPCVZJKAGQCO-FADJLKOXSA-N 0 0 630.773 6.571 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100550264 554414619 /nfs/dbraw/zinc/41/46/19/554414619.db2.gz YMUOTQDQFMUMNW-NLGDKJDOSA-N 0 0 553.655 6.078 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100551074 554414692 /nfs/dbraw/zinc/41/46/92/554414692.db2.gz RMQWLSHWSJRQQQ-UTONBFNKSA-N 0 0 567.682 6.468 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100552005 554415095 /nfs/dbraw/zinc/41/50/95/554415095.db2.gz SENXPGNKPBIHRC-IPBJYNAHSA-N 0 0 574.073 6.428 50 30 KKEARN C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000059626864 554415141 /nfs/dbraw/zinc/41/51/41/554415141.db2.gz SRDUUGQOAUJFQD-UHFFFAOYSA-N 0 0 543.434 5.808 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100553073 554415430 /nfs/dbraw/zinc/41/54/30/554415430.db2.gz RAWDPXMZHWCKKX-IEWVHIKDSA-N 0 0 537.656 6.589 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100553910 554415780 /nfs/dbraw/zinc/41/57/80/554415780.db2.gz OEBREEWZVQKZTE-VCTRWQRLSA-N 0 0 567.682 6.216 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000100554281 554415853 /nfs/dbraw/zinc/41/58/53/554415853.db2.gz KOOMBKMFZBOPKG-KMRXNPHXSA-N 0 0 540.125 6.785 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000059627284 554415860 /nfs/dbraw/zinc/41/58/60/554415860.db2.gz YJXLKQHGWWKOHZ-UHFFFAOYSA-N 0 0 575.638 5.945 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100556679 554416347 /nfs/dbraw/zinc/41/63/47/554416347.db2.gz RJMIAGVDWNDBHJ-GOXGLGGOSA-N 0 0 537.656 6.458 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100556705 554416376 /nfs/dbraw/zinc/41/63/76/554416376.db2.gz WOFLXKHCJHZUJA-CHJDUVSTSA-N 0 0 542.031 6.216 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557268 554416675 /nfs/dbraw/zinc/41/66/75/554416675.db2.gz PPDVPSDWFKHACX-MNNSJKJDSA-N 0 0 530.020 6.029 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557281 554416690 /nfs/dbraw/zinc/41/66/90/554416690.db2.gz LIBSZQHKIMAKRV-BTYSJIOQSA-N 0 0 543.019 6.396 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100557152 554416730 /nfs/dbraw/zinc/41/67/30/554416730.db2.gz ZGURNGYTFRSYSI-WINIVTDRSA-N 0 0 572.123 6.024 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000100559104 554417424 /nfs/dbraw/zinc/41/74/24/554417424.db2.gz IBBPXOSLUYBARN-BNHRFMORSA-N 0 0 572.101 7.113 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100559263 554417559 /nfs/dbraw/zinc/41/75/59/554417559.db2.gz CHOIIYMVGMMRQX-BTYSJIOQSA-N 0 0 558.472 6.563 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559905 554417802 /nfs/dbraw/zinc/41/78/02/554417802.db2.gz BBFZLKMXJVFFLI-WHLCRQNOSA-N 0 0 570.513 7.335 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100559882 554417809 /nfs/dbraw/zinc/41/78/09/554417809.db2.gz IUOPGSNWOXYEAG-QAZDYGKNSA-N 0 0 540.056 6.069 50 30 biogenic,in-vitro KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100561625 554417943 /nfs/dbraw/zinc/41/79/43/554417943.db2.gz CCNDDAISOUEHNT-XYFQYJLHSA-N 0 0 537.656 6.459 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561768 554418376 /nfs/dbraw/zinc/41/83/76/554418376.db2.gz NHSDRWCENVXPMA-NYFMKLKXSA-N 0 0 586.128 7.285 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100570150 554421579 /nfs/dbraw/zinc/42/15/79/554421579.db2.gz LZJFUEWODKZZCM-FJOMVMCCSA-N 0 0 538.025 5.546 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000100570168 554421857 /nfs/dbraw/zinc/42/18/57/554421857.db2.gz LGBATHSBCCWLIL-BQPAJTCCSA-N 0 0 545.514 5.734 50 30 KKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1Cl ZINC000100570170 554421918 /nfs/dbraw/zinc/42/19/18/554421918.db2.gz HHNVFRQJLVYHCN-AIAZDZNISA-N 0 0 575.996 6.556 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000100572035 554422139 /nfs/dbraw/zinc/42/21/39/554422139.db2.gz LZLPVLHJCAXHIX-IIZRLQMASA-N 0 0 615.726 7.258 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100573413 554422501 /nfs/dbraw/zinc/42/25/01/554422501.db2.gz PAYVBYUVHZEZCN-CLYVBNDRSA-N 0 0 600.937 7.054 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100574788 554422654 /nfs/dbraw/zinc/42/26/54/554422654.db2.gz FEOZCRONQVYOJT-IEWVHIKDSA-N 0 0 572.101 6.860 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100575810 554422804 /nfs/dbraw/zinc/42/28/04/554422804.db2.gz FGNCROYSVPVVHT-PPHZAIPVSA-N 0 0 544.906 7.884 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100575885 554423083 /nfs/dbraw/zinc/42/30/83/554423083.db2.gz FOOOZNIMQQECMM-DWXRJYCRSA-N 0 0 546.447 5.562 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100575832 554423092 /nfs/dbraw/zinc/42/30/92/554423092.db2.gz GQVXBPXINIRPHX-CRICUBBOSA-N 0 0 530.448 6.411 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100576010 554423335 /nfs/dbraw/zinc/42/33/35/554423335.db2.gz VFNCMGGDZGDMLW-QYBDOPJKSA-N 0 0 604.925 6.148 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100575909 554423367 /nfs/dbraw/zinc/42/33/67/554423367.db2.gz KADXRKNJWRAPRV-GOXGLGGOSA-N 0 0 572.101 7.242 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100575957 554423394 /nfs/dbraw/zinc/42/33/94/554423394.db2.gz MFNKFIPQRKPHSU-QRRWFCJLSA-N 0 0 563.694 7.122 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100576032 554423611 /nfs/dbraw/zinc/42/36/11/554423611.db2.gz XUIBTJBRFNDSGY-SLGOVJDISA-N 0 0 588.100 6.600 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000100579762 554424784 /nfs/dbraw/zinc/42/47/84/554424784.db2.gz RFZXTBONJYJMSW-XIFFEERXSA-N 0 0 535.062 8.945 50 30 KKEARN CN(/N=C\c1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000059706104 554425753 /nfs/dbraw/zinc/42/57/53/554425753.db2.gz YUNIKACVZVUXHP-DICXZTSXSA-N 0 0 538.243 6.512 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100583237 554425708 /nfs/dbraw/zinc/42/57/08/554425708.db2.gz YHHURTGNBUXTMH-IAGVYSIGSA-N 0 0 551.683 6.978 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100583243 554425815 /nfs/dbraw/zinc/42/58/15/554425815.db2.gz YHHURTGNBUXTMH-QWUMRNGJSA-N 0 0 551.683 6.978 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059706235 554426004 /nfs/dbraw/zinc/42/60/04/554426004.db2.gz QILMNIQOKVFMDD-UVMFRMCBSA-N 0 0 611.691 6.003 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706364 554426018 /nfs/dbraw/zinc/42/60/18/554426018.db2.gz HQFQZOTVWDDPPX-XYFQYJLHSA-N 0 0 537.656 6.241 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100587969 554427061 /nfs/dbraw/zinc/42/70/61/554427061.db2.gz LVHHEKUPNJQJQM-SLQAJWMNSA-N 0 0 626.544 6.418 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000100588117 554427420 /nfs/dbraw/zinc/42/74/20/554427420.db2.gz FJDFIRYVICNGSS-MYUZEXMDSA-N 0 0 600.506 5.798 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100588180 554427685 /nfs/dbraw/zinc/42/76/85/554427685.db2.gz ZYYMUUKTKOCKRO-CLYVBNDRSA-N 0 0 586.479 5.026 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100593361 554429440 /nfs/dbraw/zinc/42/94/40/554429440.db2.gz UWEVPHGZEHMWST-WGDIFIGCSA-N 0 0 586.479 5.495 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000100593540 554429793 /nfs/dbraw/zinc/42/97/93/554429793.db2.gz ONCKKXXNIVHZGE-XWDCEDKXSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100597621 554430393 /nfs/dbraw/zinc/43/03/93/554430393.db2.gz NHKCKZRSCDFFKN-DNOBIOAJSA-N 0 0 600.506 5.797 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000100597602 554430409 /nfs/dbraw/zinc/43/04/09/554430409.db2.gz INNNKGIFMKCAMI-HEIROHQZSA-N 0 0 589.685 5.875 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597627 554430436 /nfs/dbraw/zinc/43/04/36/554430436.db2.gz PGZJUWUHDAQRNF-CHJDUVSTSA-N 0 0 563.647 5.341 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000100597814 554430600 /nfs/dbraw/zinc/43/06/00/554430600.db2.gz BJUDESOMDUMSOQ-QRRWFCJLSA-N 0 0 597.708 6.224 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597888 554430948 /nfs/dbraw/zinc/43/09/48/554430948.db2.gz NSXSKOJPXCCJJU-IIMAJNMQSA-N 0 0 547.648 5.656 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100600033 554431331 /nfs/dbraw/zinc/43/13/31/554431331.db2.gz MZBNQWBJXQSTKC-LYZGTLIUSA-N 0 0 573.608 6.052 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100600027 554431361 /nfs/dbraw/zinc/43/13/61/554431361.db2.gz MZBNQWBJXQSTKC-RBTNQOKQSA-N 0 0 573.608 6.052 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100599998 554431395 /nfs/dbraw/zinc/43/13/95/554431395.db2.gz KQBRHVKRPNEHDO-PIIWDFAUSA-N 0 0 555.593 6.570 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000100600113 554431528 /nfs/dbraw/zinc/43/15/28/554431528.db2.gz CTWVORFQSQRVFJ-GZGVDWRWSA-N 0 0 627.690 5.622 50 30 KKEARN O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000100602152 554431840 /nfs/dbraw/zinc/43/18/40/554431840.db2.gz LGOUUVNCGDKPSP-KEDMDLSKSA-N 0 0 570.444 8.233 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650258 554437153 /nfs/dbraw/zinc/43/71/53/554437153.db2.gz JDVIMBPMMNLEFY-NRFANRHFSA-N 0 0 545.821 5.648 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1=C1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000100660272 554438488 /nfs/dbraw/zinc/43/84/88/554438488.db2.gz MAJBDWQUVDTCDL-VWXIVLILSA-N 0 0 616.760 10.228 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000100669684 554440723 /nfs/dbraw/zinc/44/07/23/554440723.db2.gz KFSBDFPFQFPWQD-OLILMLBXSA-N 0 0 542.607 5.852 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669946 554440982 /nfs/dbraw/zinc/44/09/82/554440982.db2.gz YAQJFBVQURZGGK-QFIPXVFZSA-N 0 0 523.382 7.255 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100669861 554441017 /nfs/dbraw/zinc/44/10/17/554441017.db2.gz IVDAAGASUPHWJY-DEOSSOPVSA-N 0 0 544.570 5.974 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000100671793 554441554 /nfs/dbraw/zinc/44/15/54/554441554.db2.gz OUNMBFDRWVKVED-SSEXGKCCSA-N 0 0 540.660 6.272 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100673908 554442155 /nfs/dbraw/zinc/44/21/55/554442155.db2.gz GPCLOEKABHCKNH-GVXSCFBNSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100674178 554442882 /nfs/dbraw/zinc/44/28/82/554442882.db2.gz RCQZXROIAHHHCI-LXLYTFERSA-N 0 0 581.665 6.201 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000100679434 554445290 /nfs/dbraw/zinc/44/52/90/554445290.db2.gz LLDZJHSOEZRXCO-QHCPKHFHSA-N 0 0 534.634 5.898 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100679891 554445722 /nfs/dbraw/zinc/44/57/22/554445722.db2.gz ZSMUZEZVWQZYGD-XMMPIXPASA-N 0 0 548.661 6.152 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000100680007 554446121 /nfs/dbraw/zinc/44/61/21/554446121.db2.gz UCRIWDVPWDXZCT-RUZDIDTESA-N 0 0 560.672 6.319 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100680375 554446376 /nfs/dbraw/zinc/44/63/76/554446376.db2.gz MEFJPUUHPPBDOZ-AREMUKBSSA-N 0 0 574.699 6.880 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681196 554447510 /nfs/dbraw/zinc/44/75/10/554447510.db2.gz FXPBHXYOZGRCFB-SSEXGKCCSA-N 0 0 537.612 6.816 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000100681168 554447577 /nfs/dbraw/zinc/44/75/77/554447577.db2.gz ONQGCYXYUYTZLE-ABYGYWHVSA-N 0 0 551.680 6.200 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681184 554447613 /nfs/dbraw/zinc/44/76/13/554447613.db2.gz SLAPORDPOPICCN-JDXGNMNLSA-N 0 0 541.644 6.202 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000059844666 554447950 /nfs/dbraw/zinc/44/79/50/554447950.db2.gz IWOCRYKSOJBYNE-LYZGTLIUSA-N 0 0 537.678 5.457 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000059844541 554447995 /nfs/dbraw/zinc/44/79/95/554447995.db2.gz IMODBXUNSJNCNZ-GKVSMKOHSA-N 0 0 556.453 5.485 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000100690507 554449917 /nfs/dbraw/zinc/44/99/17/554449917.db2.gz YTKPKXCUPUVGMV-WXTAPIANSA-N 0 0 570.505 5.836 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100701895 554452003 /nfs/dbraw/zinc/45/20/03/554452003.db2.gz SJJXPCBRBAPKLM-OAQYLSRUSA-N 0 0 508.987 7.487 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000100701573 554452029 /nfs/dbraw/zinc/45/20/29/554452029.db2.gz SUNOQXWYWGLQIP-NRFANRHFSA-N 0 0 587.883 8.249 50 30 KKEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(N5N=C(c6ccccc6)C[C@@H]5c5ccccc5)cc4)c3=O)c2c1 ZINC000100707609 554453060 /nfs/dbraw/zinc/45/30/60/554453060.db2.gz QZNSXHCXQSRWOD-ZLWVYGHNSA-N 0 0 538.611 6.124 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000100706007 554453121 /nfs/dbraw/zinc/45/31/21/554453121.db2.gz LJYAMDWDMJNYGM-UGDMGKLASA-N 0 0 545.676 6.340 50 30 KKEARN N#Cc1c(SC[C@@H](O)CS(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728666 554458787 /nfs/dbraw/zinc/45/87/87/554458787.db2.gz PCUNICMRNNUFNE-OAQYLSRUSA-N 0 0 541.119 6.070 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732668 554460564 /nfs/dbraw/zinc/46/05/64/554460564.db2.gz YAAKXSZWHXTNAS-BUUDZMLXSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000100732603 554460603 /nfs/dbraw/zinc/46/06/03/554460603.db2.gz NUXISBIELAMQPK-DNRSQYFGSA-N 0 0 535.662 5.131 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccccc2)S1 ZINC000100749816 554465976 /nfs/dbraw/zinc/46/59/76/554465976.db2.gz OKQOGZRLPBGBDN-QPRQTZNDSA-N 0 0 543.523 5.474 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H](CC)CCCC)C2=O)cc1C ZINC000100764679 554469845 /nfs/dbraw/zinc/46/98/45/554469845.db2.gz XQXBRBRRLYJMIA-QKGRPYPVSA-N 0 0 545.774 7.830 50 30 KKEARN O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 ZINC000100766898 554470380 /nfs/dbraw/zinc/47/03/80/554470380.db2.gz PBSBYHQPPHEEKS-TVKQRKNISA-N 0 0 520.574 6.243 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C1=O ZINC000100775931 554471831 /nfs/dbraw/zinc/47/18/31/554471831.db2.gz HMVDGAKQHLTPEM-GATIEOLUSA-N 0 0 509.433 6.895 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000100787045 554472706 /nfs/dbraw/zinc/47/27/06/554472706.db2.gz LWRNQOBXRHWPGE-GJBJXMDJSA-N 0 0 512.081 6.148 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)SC1=S ZINC000100789242 554473030 /nfs/dbraw/zinc/47/30/30/554473030.db2.gz QDHNLMDZRXCMFP-SLMZUGIISA-N 0 0 547.790 8.280 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=N)S1 ZINC000100794532 554473561 /nfs/dbraw/zinc/47/35/61/554473561.db2.gz QEARPNOJKVYVMP-NHEADELISA-N 0 0 524.668 5.742 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OC ZINC000100814956 554475785 /nfs/dbraw/zinc/47/57/85/554475785.db2.gz ISOAVSAMDDDCQZ-JLOXLNJMSA-N 0 0 581.554 8.485 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000100823084 554481406 /nfs/dbraw/zinc/48/14/06/554481406.db2.gz QXZIJCPPUDOSTC-INIZCTEOSA-N 0 0 564.748 6.141 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100832921 554482886 /nfs/dbraw/zinc/48/28/86/554482886.db2.gz XUJVSNHIDMAKJU-NOVCHMFLSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2NCCCn2ccnc2)SC1=S ZINC000100840306 554488473 /nfs/dbraw/zinc/48/84/73/554488473.db2.gz NFDYKYAILWJHOL-PYCFMQQDSA-N 0 0 538.743 5.263 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc43)cc2)SC1=S ZINC000100840498 554489120 /nfs/dbraw/zinc/48/91/20/554489120.db2.gz VFZSHOWJINWZIH-CKWSZQMZSA-N 0 0 631.867 9.833 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000100842395 554490009 /nfs/dbraw/zinc/49/00/09/554490009.db2.gz JABYSVDUPQHPCN-XXMKCSCWSA-N 0 0 551.451 5.531 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)nc2sc(-c3ccccc3)cc2c1=O ZINC000100843995 554490589 /nfs/dbraw/zinc/49/05/89/554490589.db2.gz VUCSZVORTGAKHW-UHFFFAOYSA-N 0 0 605.738 7.086 50 30 KKEARN COC(=O)N1S/C(=N\C(=N\c2ccc(C)cc2)c2ccccc2)N(c2ccc(OC)cc2)[C@H]1C(Cl)(Cl)Cl ZINC000100846404 554491218 /nfs/dbraw/zinc/49/12/18/554491218.db2.gz KJNUNBMJMKHNLS-IQIJZYKNSA-N 0 0 577.921 7.371 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850042 554492609 /nfs/dbraw/zinc/49/26/09/554492609.db2.gz MFRNVEBLHNEBSS-ZORMNXRFSA-N 0 0 551.683 6.979 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850063 554492617 /nfs/dbraw/zinc/49/26/17/554492617.db2.gz LBGUWZIFKXSRBU-IEWVHIKDSA-N 0 0 537.656 6.589 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100856270 554493351 /nfs/dbraw/zinc/49/33/51/554493351.db2.gz FYTSDPNCAHKFBN-XLNRJJMWSA-N 0 0 503.089 6.626 50 30 KKEARN COc1ccc(-c2csc(C3=C(N)N(C[C@]4(C)CCC[C@@]5(C)c6ccc(C(C)C)cc6CC[C@@H]45)CC3=O)n2)cc1OC ZINC000060044982 554497542 /nfs/dbraw/zinc/49/75/42/554497542.db2.gz ZRSJTZZHZQWVNB-RCTKZWLUSA-N 0 0 585.814 7.173 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cc(C)ccc3C)C2=O)SC1=S ZINC000100870945 554498381 /nfs/dbraw/zinc/49/83/81/554498381.db2.gz UUELOHLWEAPFCI-QPLCGJKRSA-N 0 0 535.735 6.221 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000100870948 554498413 /nfs/dbraw/zinc/49/84/13/554498413.db2.gz DRTXKDHZVXOITH-IZHYLOQSSA-N 0 0 521.708 5.831 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000100871495 554499335 /nfs/dbraw/zinc/49/93/35/554499335.db2.gz KRCFDUGKKXMFQO-NZYQLMHLSA-N 0 0 544.626 7.448 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3C)C2=O)SC1=S ZINC000100872058 554500259 /nfs/dbraw/zinc/50/02/59/554500259.db2.gz HXFYPKOIKCKJTD-IZHYLOQSSA-N 0 0 521.708 5.912 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000100872658 554501707 /nfs/dbraw/zinc/50/17/07/554501707.db2.gz WYZDBTNLAVBJTG-IMRQLAEWSA-N 0 0 539.682 6.514 50 30 KKEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000100874193 554502832 /nfs/dbraw/zinc/50/28/32/554502832.db2.gz QLYXFCKXSACLBC-ZIADKAODSA-N 0 0 549.674 5.022 50 30 KKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000100874395 554503091 /nfs/dbraw/zinc/50/30/91/554503091.db2.gz AQYGENIICHUUAL-RFBIWTDZSA-N 0 0 556.507 5.608 50 30 KKEARN OCc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000060291387 554505159 /nfs/dbraw/zinc/50/51/59/554505159.db2.gz PCXONXLXJULKDJ-UHFFFAOYSA-N 0 0 584.266 7.347 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1 ZINC000100878667 554505871 /nfs/dbraw/zinc/50/58/71/554505871.db2.gz VVFZDNIHJOJHEY-KVOOEGMKSA-N 0 0 579.392 8.796 50 30 KKEARN Cc1c(C#N)c(=O)n(C)c(N2CCC(Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(CCC(C)C)C1=O ZINC000100902205 554515048 /nfs/dbraw/zinc/51/50/48/554515048.db2.gz ZOKXPFJQMTWPSA-UQQQWYQISA-N 0 0 534.751 5.272 50 30 KKEARN C=CCc1cccc([C@@H]2OC(c3ccccc3OCc3ccc(Br)cc3)=NN2C(C)=O)c1O ZINC000064819917 554517729 /nfs/dbraw/zinc/51/77/29/554517729.db2.gz LWPSENGZOWUYCU-SANMLTNESA-N 0 0 507.384 5.701 50 30 KKEARN CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+]1(C)CCCC1)OC(C)=O ZINC000064858281 554518215 /nfs/dbraw/zinc/51/82/15/554518215.db2.gz QBLLCUIJMABRFJ-MUUNZHRXSA-O 0 0 550.738 6.790 50 30 in-vitro KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccc(OCC)cc1 ZINC000100924820 554523396 /nfs/dbraw/zinc/52/33/96/554523396.db2.gz PZKBILKYELJNFD-UHFFFAOYSA-N 0 0 594.084 6.980 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccccc1Br ZINC000100924777 554523451 /nfs/dbraw/zinc/52/34/51/554523451.db2.gz QWLCZZMCLVUKRO-UHFFFAOYSA-N 0 0 605.381 6.434 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccccc1/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000100930312 554526821 /nfs/dbraw/zinc/52/68/21/554526821.db2.gz CHMLCHSRHFFGRK-OZMGXUMRSA-N 0 0 569.856 8.898 50 30 KKEARN CCCCCCCCCCCCCCCCNc1c(CCCCCCCC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000100937665 554531318 /nfs/dbraw/zinc/53/13/18/554531318.db2.gz QNXFRIDEUCMWEC-UHFFFAOYSA-N 0 0 558.899 11.464 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1)c1ccccc1 ZINC000100971542 554543824 /nfs/dbraw/zinc/54/38/24/554543824.db2.gz PJQHLEGZMDMTMZ-DYTRJAOYSA-N 0 0 565.629 7.340 50 30 KKEARN O=C(CCCC(=O)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1)Nc1ccccc1 ZINC000100978203 554547292 /nfs/dbraw/zinc/54/72/92/554547292.db2.gz OHOIYGNPJJMRJR-IADYIPOJSA-N 0 0 584.383 5.434 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)c1 ZINC000100981776 554547681 /nfs/dbraw/zinc/54/76/81/554547681.db2.gz GLXWVHCABJXEDB-CAJWKFQMSA-N 0 0 526.033 6.081 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1\s/c(=C/c2ccc(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000100988273 554549157 /nfs/dbraw/zinc/54/91/57/554549157.db2.gz JROXFSZQOOFJGV-KAJACABWSA-N 0 0 526.832 5.001 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100992450 554550382 /nfs/dbraw/zinc/55/03/82/554550382.db2.gz HWABMCCOMSCKFF-FJOMVMCCSA-N 0 0 540.041 5.526 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100996237 554551067 /nfs/dbraw/zinc/55/10/67/554551067.db2.gz HNYGVFNSMCPWFM-NLDZOOGBSA-N 0 0 543.620 6.385 50 30 KKEARN Fc1cccc(-c2nc3cc(/N=C/c4ccc(/C=N/c5ccc6oc(-c7cccc(F)c7)nc6c5)cc4)ccc3o2)c1 ZINC000100998175 554551468 /nfs/dbraw/zinc/55/14/68/554551468.db2.gz KOWWLYHWDKNKKZ-RIOOQTRLSA-N 0 0 554.556 9.082 50 30 KKEARN CCCCCCCCCCCCC(=O)Oc1ccc(OC(=O)CCCCCCCCCCCC)c(Cl)c1 ZINC000101011736 554558309 /nfs/dbraw/zinc/55/83/09/554558309.db2.gz KMTSOUNVIYOOIR-UHFFFAOYSA-N 0 0 537.225 10.773 50 30 KKEARN CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000101015991 554560175 /nfs/dbraw/zinc/56/01/75/554560175.db2.gz OGPFAGDSUPIZFG-QJOMJCCJSA-N 0 0 538.714 6.316 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)CC(=O)Nc2ccccc2Cl)cc1 ZINC000101022638 554562246 /nfs/dbraw/zinc/56/22/46/554562246.db2.gz MGVTYRCGTJJQPA-UHFFFAOYSA-N 0 0 555.203 9.752 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC ZINC000101025579 554563603 /nfs/dbraw/zinc/56/36/03/554563603.db2.gz CGHMBMJQQSKYRO-CPJLOUKISA-N 0 0 561.689 5.468 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000101064529 554572219 /nfs/dbraw/zinc/57/22/19/554572219.db2.gz ITPQXIUXRUUBNM-CWTOASCOSA-N 0 0 612.436 5.044 50 30 KKEARN CC(=O)c1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000101064535 554572234 /nfs/dbraw/zinc/57/22/34/554572234.db2.gz VLQMFHYQHHSICN-HPQIJTKRSA-N 0 0 595.449 5.030 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000101064554 554572247 /nfs/dbraw/zinc/57/22/47/554572247.db2.gz MTTQTMDNVSINLG-CWTOASCOSA-N 0 0 612.436 5.044 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000101068887 554573760 /nfs/dbraw/zinc/57/37/60/554573760.db2.gz MTAVHCRTRCFZBT-CSBHBGLHSA-N 0 0 603.472 5.980 50 30 KKEARN CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)S/C1=N/c1ccc(OC)cc1 ZINC000101080834 554578681 /nfs/dbraw/zinc/57/86/81/554578681.db2.gz GWRUDXQOZLOTFL-RXDDOOTISA-N 0 0 513.446 7.205 50 30 KKEARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)N(C(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cn1 ZINC000101087222 554580827 /nfs/dbraw/zinc/58/08/27/554580827.db2.gz PISAGEDDSGEHGE-UHFFFAOYSA-N 0 0 576.144 6.114 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000101087083 554580919 /nfs/dbraw/zinc/58/09/19/554580919.db2.gz BRMMKLVCWQGSLQ-VFPKNACXSA-N 0 0 579.650 5.223 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101100128 554586867 /nfs/dbraw/zinc/58/68/67/554586867.db2.gz SGGRCASWRLWJIK-XNKWDQAOSA-N 0 0 541.611 6.821 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101114253 554642521 /nfs/dbraw/zinc/64/25/21/554642521.db2.gz APTAGRCWFBLRRZ-KZEONIMMSA-N 0 0 529.622 5.303 50 30 KKEARN C=C(C)[C@@H]1C[C@@H](N(CCC)C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)s2)C[C@H]2c3ccccc3C(=O)N21 ZINC000101121833 554643835 /nfs/dbraw/zinc/64/38/35/554643835.db2.gz KBFCAXWQBVSMIU-RDAHNBDFSA-N 0 0 552.784 8.619 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128363 554646712 /nfs/dbraw/zinc/64/67/12/554646712.db2.gz RGKSTJBSTKZPIO-GVMLUORFSA-N 0 0 581.477 5.540 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000101128556 554646845 /nfs/dbraw/zinc/64/68/45/554646845.db2.gz WGJWTCMRKFMMFT-ZNRKBWGRSA-N 0 0 608.745 5.196 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S ZINC000101130092 554649155 /nfs/dbraw/zinc/64/91/55/554649155.db2.gz UPCUSLCTKHAPFE-SGWCAAJKSA-N 0 0 547.790 8.198 50 30 KKEARN CC(=O)C(N=Nc1ccc(Br)cc1)=C(C)NCCNC(C)=C(N=Nc1ccc(Br)cc1)C(C)=O ZINC000101155707 554658632 /nfs/dbraw/zinc/65/86/32/554658632.db2.gz SMJJIXFRLMBCEP-FAUBXVJGSA-N 0 0 590.320 5.547 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccc(OC)cc2)cc1 ZINC000101161834 554659798 /nfs/dbraw/zinc/65/97/98/554659798.db2.gz KUFVKLNCDPMZRI-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN CCCCCCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c1nc1c(C)cccn1c2=O ZINC000101162659 554660018 /nfs/dbraw/zinc/66/00/18/554660018.db2.gz AZQFSEQJIKLLOU-UHFFFAOYSA-N 0 0 506.050 5.381 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(OC)cc1OC ZINC000101166584 554661027 /nfs/dbraw/zinc/66/10/27/554661027.db2.gz FMUBULHBSQRYGY-MHZLTWQESA-N 0 0 533.650 5.057 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101169448 554661511 /nfs/dbraw/zinc/66/15/11/554661511.db2.gz ONJYLSORVRLCDB-HHHXNRCGSA-N 0 0 533.650 5.057 50 30 KKEARN CCCCCCCCCCCCn1nnc([C@@H](C(=O)N(C(=O)OCC)c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1 ZINC000101174723 554662420 /nfs/dbraw/zinc/66/24/20/554662420.db2.gz JNIVOEJIUVBUHL-YTTGMZPUSA-N 0 0 603.852 9.162 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1OC ZINC000101175535 554663482 /nfs/dbraw/zinc/66/34/82/554663482.db2.gz ZHYKNRPGSZDREV-OVNXQDIVSA-N 0 0 529.578 5.135 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000101194680 554672009 /nfs/dbraw/zinc/67/20/09/554672009.db2.gz CUOKXDFEBQDKHH-IEWVHIKDSA-N 0 0 537.656 6.160 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000101194678 554672076 /nfs/dbraw/zinc/67/20/76/554672076.db2.gz OMXZDUZHAPEPFY-MMTVBGGISA-N 0 0 537.678 5.370 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CCCCCCCCCCCCC ZINC000101204289 554674251 /nfs/dbraw/zinc/67/42/51/554674251.db2.gz MZUWBQLMHIRGBV-UHFFFAOYSA-N 0 0 508.747 7.567 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000101204706 554674770 /nfs/dbraw/zinc/67/47/70/554674770.db2.gz FPQGSJRLDYYUCE-CLYVBNDRSA-N 0 0 616.505 5.122 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204807 554674936 /nfs/dbraw/zinc/67/49/36/554674936.db2.gz VMSSPLXRAYPFFT-HMILPKGGSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000101208676 554677844 /nfs/dbraw/zinc/67/78/44/554677844.db2.gz RXRGUJYKQILBJE-UHFFFAOYSA-N 0 0 551.665 5.190 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101208776 554677847 /nfs/dbraw/zinc/67/78/47/554677847.db2.gz FZJLDKNLBUXOFV-QHCPKHFHSA-N 0 0 565.589 5.022 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)o1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209500 554678214 /nfs/dbraw/zinc/67/82/14/554678214.db2.gz GOUKTMCZDQPRPQ-UHFFFAOYSA-N 0 0 545.463 5.812 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209580 554678543 /nfs/dbraw/zinc/67/85/43/554678543.db2.gz RJNKPDSKSKZKAU-UHFFFAOYSA-N 0 0 568.526 6.349 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212692 554679766 /nfs/dbraw/zinc/67/97/66/554679766.db2.gz NXTXJLYATBYHFJ-WLFXDIPCSA-N 0 0 615.726 7.388 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212788 554679992 /nfs/dbraw/zinc/67/99/92/554679992.db2.gz KDMYLNMBVCMKRT-UTONBFNKSA-N 0 0 583.681 5.834 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101212946 554680184 /nfs/dbraw/zinc/68/01/84/554680184.db2.gz IPRRXGLCVOALEK-MYUZEXMDSA-N 0 0 600.506 5.885 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101218080 554685303 /nfs/dbraw/zinc/68/53/03/554685303.db2.gz DZRDBDSDWREQQL-IANOAQMISA-N 0 0 603.712 6.265 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218579 554685662 /nfs/dbraw/zinc/68/56/62/554685662.db2.gz LDQOJCLLUWNLQB-RBBQXQBVSA-N 0 0 599.680 5.792 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)S(=O)(=O)c1cccc2ccccc21 ZINC000101220428 554686383 /nfs/dbraw/zinc/68/63/83/554686383.db2.gz NGADOFWUHSLJQO-GDLZYMKVSA-N 0 0 532.687 5.261 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000101220711 554686864 /nfs/dbraw/zinc/68/68/64/554686864.db2.gz DHVGPPQGROZCTC-IPBJYNAHSA-N 0 0 563.691 6.206 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220696 554686873 /nfs/dbraw/zinc/68/68/73/554686873.db2.gz USAYIPKJDYEBOI-GPNASLBKSA-N 0 0 607.700 5.358 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220811 554687054 /nfs/dbraw/zinc/68/70/54/554687054.db2.gz STGXCASOUXDTNU-SONOPUAISA-N 0 0 614.533 6.188 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101228812 554689138 /nfs/dbraw/zinc/68/91/38/554689138.db2.gz HRKRBPOIGXQCLL-UHFFFAOYSA-N 0 0 536.642 5.419 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000101236132 554690742 /nfs/dbraw/zinc/69/07/42/554690742.db2.gz UEEDDRJCAYRYOA-IWQUUTMOSA-N 0 0 536.723 5.320 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237939 554692348 /nfs/dbraw/zinc/69/23/48/554692348.db2.gz ZUEIVWVISBJUJP-SQHAQQRYSA-N 0 0 578.566 5.443 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276783 554703299 /nfs/dbraw/zinc/70/32/99/554703299.db2.gz CULOYJGCSNIPHX-AYWGPLOBSA-N 0 0 548.617 5.136 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276787 554703356 /nfs/dbraw/zinc/70/33/56/554703356.db2.gz SLJYPJFFKLYQKB-DFXXOVSGSA-N 0 0 594.689 6.616 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000101285466 554705714 /nfs/dbraw/zinc/70/57/14/554705714.db2.gz FZIIHXIKRNRUCU-QHCPKHFHSA-N 0 0 548.428 7.203 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293986 554710347 /nfs/dbraw/zinc/71/03/47/554710347.db2.gz MUORBGZRWKBHRH-IUKMQXEJSA-N 0 0 514.578 6.189 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294126 554710630 /nfs/dbraw/zinc/71/06/30/554710630.db2.gz BEGKZYZNDAPAQC-SBXHHDGASA-N 0 0 500.576 5.951 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294246 554710893 /nfs/dbraw/zinc/71/08/93/554710893.db2.gz MZFYKDGBAYVSFI-HTUFKCTLSA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294228 554710899 /nfs/dbraw/zinc/71/08/99/554710899.db2.gz MPHZLDYCWXABLD-SSELITHESA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294222 554710940 /nfs/dbraw/zinc/71/09/40/554710940.db2.gz GYDKRBGTAFHIRU-ROBPHKHBSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000101304751 554714667 /nfs/dbraw/zinc/71/46/67/554714667.db2.gz VPYDVODTZNADOG-GZZLJNBRSA-N 0 0 596.756 8.299 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310228 554717226 /nfs/dbraw/zinc/71/72/26/554717226.db2.gz LCHFLHGLYGFMFJ-AQUGINBJSA-N 0 0 596.705 6.826 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310226 554717316 /nfs/dbraw/zinc/71/73/16/554717316.db2.gz LCHFLHGLYGFMFJ-LLRJPKBTSA-N 0 0 596.705 6.826 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310295 554717596 /nfs/dbraw/zinc/71/75/96/554717596.db2.gz UYDCIPAVGVGJBP-NXLSVDECSA-N 0 0 612.704 6.608 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310400 554717925 /nfs/dbraw/zinc/71/79/25/554717925.db2.gz NQZLKHBYFBSDFB-DFXXOVSGSA-N 0 0 527.573 5.043 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101310723 554718463 /nfs/dbraw/zinc/71/84/63/554718463.db2.gz QSKKQVVVTIYOEF-PSVUBMJASA-N 0 0 537.967 5.701 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313747 554722181 /nfs/dbraw/zinc/72/21/81/554722181.db2.gz DKLQAMORAQPBON-IKZPYDRGSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313734 554722210 /nfs/dbraw/zinc/72/22/10/554722210.db2.gz HJMOHZVMTZWQHJ-SSELITHESA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313736 554722241 /nfs/dbraw/zinc/72/22/41/554722241.db2.gz HJMOHZVMTZWQHJ-RFAFYKRUSA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318603 554725610 /nfs/dbraw/zinc/72/56/10/554725610.db2.gz ZSWWIYGNKMRIHO-HATVSKDLSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318691 554725916 /nfs/dbraw/zinc/72/59/16/554725916.db2.gz ZTORIHGFDGOHMY-UOWMXVQPSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(OC)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000101318863 554726210 /nfs/dbraw/zinc/72/62/10/554726210.db2.gz XQCJEMARDAQIGG-UMKORLBGSA-N 0 0 582.656 6.242 50 30 KKEARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101328831 554729971 /nfs/dbraw/zinc/72/99/71/554729971.db2.gz FFPOVNUQNUBRQW-LJXVVYAUSA-N 0 0 537.967 5.701 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)C1=S ZINC000101331374 554732211 /nfs/dbraw/zinc/73/22/11/554732211.db2.gz GBCUEXFPDZQMPY-QCEKEIELSA-N 0 0 547.577 6.245 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1ccc(OCCC)cc1 ZINC000101362060 554743262 /nfs/dbraw/zinc/74/32/62/554743262.db2.gz IYHJWDWUDUQGQD-UHFFFAOYSA-N 0 0 540.114 6.351 50 30 KKEARN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000101364580 554743518 /nfs/dbraw/zinc/74/35/18/554743518.db2.gz SCYDBZNILLHWPY-UHFFFAOYSA-N 0 0 557.473 7.130 50 30 KKEARN C=CCn1c(SCc2c(F)cccc2C(F)(F)F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101364386 554743559 /nfs/dbraw/zinc/74/35/59/554743559.db2.gz CWMIIMFOXUACCG-UHFFFAOYSA-N 0 0 610.633 7.822 50 30 KKEARN C=CCn1c(SCc2ccccc2Br)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367866 554744277 /nfs/dbraw/zinc/74/42/77/554744277.db2.gz JTTLDUIZBVMWRR-UHFFFAOYSA-N 0 0 603.542 7.427 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376322 554746339 /nfs/dbraw/zinc/74/63/39/554746339.db2.gz NASZIKHQRLLJHV-OAQYLSRUSA-N 0 0 538.069 5.933 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000101381449 554748504 /nfs/dbraw/zinc/74/85/04/554748504.db2.gz SYSXJXDVKMQLAH-IYOYZZHUSA-N 0 0 536.632 5.062 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OCC ZINC000101399844 554759936 /nfs/dbraw/zinc/75/99/36/554759936.db2.gz NRDNURYAZGMKQQ-RQKSRTHNSA-N 0 0 582.682 5.970 50 30 KKEARN CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)ccc3N(C(=O)Cc3ccccc3)C(C)(C)C2=S)S1 ZINC000101436669 554772289 /nfs/dbraw/zinc/77/22/89/554772289.db2.gz LYNOYOXWMKJAJA-BXVZCJGGSA-N 0 0 541.763 7.839 50 30 KKEARN COc1ccc(/C(C)=N/OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)cc1OC ZINC000101438490 554772329 /nfs/dbraw/zinc/77/23/29/554772329.db2.gz ZFMNLDXHZHQCDN-GUBAARJWSA-N 0 0 574.637 6.732 50 30 KKEARN COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000101561096 554797310 /nfs/dbraw/zinc/79/73/10/554797310.db2.gz MIBNLKTXCVUKTN-SFTYHILSSA-N 0 0 573.671 5.820 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000101633164 554812105 /nfs/dbraw/zinc/81/21/05/554812105.db2.gz BFAKMDDHMAEVEK-PVEJHJNKSA-N 0 0 535.597 5.102 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000101633051 554812184 /nfs/dbraw/zinc/81/21/84/554812184.db2.gz BSAVBQCSJMZEAN-GBPBPLIESA-N 0 0 542.151 7.013 50 30 KKEARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C(=N/c2ccccc2)N1Cc1ccco1 ZINC000101646004 554815544 /nfs/dbraw/zinc/81/55/44/554815544.db2.gz FQWZQVCWTVKJFI-YEVPVSBLSA-N 0 0 509.077 7.950 50 30 KKEARN C=CCc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000101665367 554822403 /nfs/dbraw/zinc/82/24/03/554822403.db2.gz MGCUSLJOERBXNN-QQXSKIMKSA-N 0 0 604.501 5.995 50 30 KKEARN COc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)c(OC)c1 ZINC000101669691 554823142 /nfs/dbraw/zinc/82/31/42/554823142.db2.gz ANRWUIYURSHDRP-UHFFFAOYSA-N 0 0 558.664 5.252 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)Nc4ccc(Cl)c(Cl)c4)nnc3c2CO1 ZINC000101670997 554824445 /nfs/dbraw/zinc/82/44/45/554824445.db2.gz KDLYSMMBWSPKAK-UHFFFAOYSA-N 0 0 553.475 6.233 50 30 KKEARN COc1ccc(/C=N\[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]2OC(=O)C(C)(C)C)cc1O ZINC000101676412 554827990 /nfs/dbraw/zinc/82/79/90/554827990.db2.gz RWEVDKQWZFKZIL-CLMYCIIUSA-N 0 0 649.778 5.008 50 30 biogenic KKEARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000101679252 554828194 /nfs/dbraw/zinc/82/81/94/554828194.db2.gz MSJYTBUYYRVMIO-UHFFFAOYSA-N 0 0 556.731 7.141 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cc(C)c(Cl)cc1OC)CC1(CCCCC1)O2 ZINC000101681320 554828506 /nfs/dbraw/zinc/82/85/06/554828506.db2.gz LNXWNEKNAQSBOV-JBASAIQMSA-N 0 0 546.089 5.775 50 30 KKEARN COc1cc(/C=N/c2ccc(Oc3ccc(/N=C/c4cc(OC)c(OC)cc4[N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])cc1OC ZINC000101702911 554831454 /nfs/dbraw/zinc/83/14/54/554831454.db2.gz NQICOQKQPIRGSH-LTTYKRRRSA-N 0 0 586.557 6.831 50 30 KKEARN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000101731023 554833494 /nfs/dbraw/zinc/83/34/94/554833494.db2.gz AXAHFHMTYDNHBY-UHFFFAOYSA-N 0 0 537.664 5.490 50 30 KKEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000101731377 554833524 /nfs/dbraw/zinc/83/35/24/554833524.db2.gz LXALJIIVDVOSNQ-UHFFFAOYSA-N 0 0 540.023 5.203 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000101892426 554846449 /nfs/dbraw/zinc/84/64/49/554846449.db2.gz DQIGVLGCWGWGKQ-MKWQWOMNSA-N 0 0 519.711 6.985 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OCC)c3)C2=N)S1 ZINC000101893545 554846672 /nfs/dbraw/zinc/84/66/72/554846672.db2.gz RVFXNLHHNUBQAD-KJWIRARUSA-N 0 0 599.691 5.741 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]23)cc1 ZINC000101909088 554849243 /nfs/dbraw/zinc/84/92/43/554849243.db2.gz QEYZTSBBFRRISY-IJXFDLHGSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000101962819 554853584 /nfs/dbraw/zinc/85/35/84/554853584.db2.gz FIYUVIPDEYPKFP-FZGPYELWSA-N 0 0 512.609 6.265 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101963197 554853618 /nfs/dbraw/zinc/85/36/18/554853618.db2.gz AQRDEWUIQNOOQO-NDEPHWFRSA-N 0 0 605.522 6.553 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000102048681 554870741 /nfs/dbraw/zinc/87/07/41/554870741.db2.gz XIJHLJTYOKKJGI-SIBVEZHUSA-N 0 0 528.008 5.794 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(OCc2ccccc2)c1 ZINC000102051015 554871203 /nfs/dbraw/zinc/87/12/03/554871203.db2.gz IQCUWHJWBFEKLU-IADCTJSHSA-N 0 0 545.664 6.764 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076503 554874569 /nfs/dbraw/zinc/87/45/69/554874569.db2.gz YAAOEFCXRQSSJY-STYUONPNSA-N 0 0 582.722 7.288 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076660 554874808 /nfs/dbraw/zinc/87/48/08/554874808.db2.gz AAULGPJBJLMINA-JEPDFCTISA-N 0 0 529.637 5.143 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076572 554874845 /nfs/dbraw/zinc/87/48/45/554874845.db2.gz JMMWTGIGTHZLKX-VXJPNWOUSA-N 0 0 568.695 6.979 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076758 554875119 /nfs/dbraw/zinc/87/51/19/554875119.db2.gz XYBJIWQEIFLNTQ-MIOXIQPJSA-N 0 0 527.617 5.547 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076745 554875156 /nfs/dbraw/zinc/87/51/56/554875156.db2.gz SWKARDYIBSDPNU-FGEDTZIGSA-N 0 0 512.606 5.452 50 30 KKEARN CC(=O)c1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000102129772 554884603 /nfs/dbraw/zinc/88/46/03/554884603.db2.gz DVGXGTSRDJYZDY-UHFFFAOYSA-N 0 0 514.284 5.036 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158689 554890156 /nfs/dbraw/zinc/89/01/56/554890156.db2.gz VNHOPKGSDWAZBZ-BZUZNSEFSA-N 0 0 511.628 6.733 50 30 KKEARN CN(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CC(=O)C(c4nc(-c5ccc(Cl)cc5)cs4)=C3N)cc2)cc1 ZINC000102234350 554901234 /nfs/dbraw/zinc/90/12/34/554901234.db2.gz SYPNXNGIRQQGBZ-UHFFFAOYSA-N 0 0 588.089 5.042 50 30 KKEARN O=C(CC/C(=N\O)[C@@H](C(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000102299868 554908228 /nfs/dbraw/zinc/90/82/28/554908228.db2.gz ANQWRVUXGDCDIT-HUWXKKFSSA-N 0 0 534.237 6.972 50 30 KKEARN CCCCCCCCCCC/C(=N/N=C(/CCCCCCCCCCC)c1ccc(C)cc1O)c1ccc(C)cc1O ZINC000102302296 554908659 /nfs/dbraw/zinc/90/86/59/554908659.db2.gz SNGZWLZPAXSFFJ-OVTCTGMWSA-N 0 0 576.910 11.750 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1cccc(N)c1)N1CCCCC1 ZINC000102312679 554910057 /nfs/dbraw/zinc/91/00/57/554910057.db2.gz YYYIOBZZIRGCEB-HYOGKJQXSA-N 0 0 506.801 6.817 50 30 KKEARN CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)C(Br)=C1 ZINC000102365124 554915688 /nfs/dbraw/zinc/91/56/88/554915688.db2.gz GBAPRRCBHWBVMI-UHFFFAOYSA-N 0 0 605.669 5.498 50 30 KKEARN CCCCCCCCCOc1cccc([C@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000102401200 554919755 /nfs/dbraw/zinc/91/97/55/554919755.db2.gz INLCJEHFMNQOHU-UUWRZZSWSA-N 0 0 557.671 10.278 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102401859 554920042 /nfs/dbraw/zinc/92/00/42/554920042.db2.gz WMNRCCFRJHPXFV-ZHHPLPSFSA-N 0 0 518.591 5.175 50 30 KKEARN O=C(/N=C(/c1ccccc1)N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102436033 554928030 /nfs/dbraw/zinc/92/80/30/554928030.db2.gz FVENZGOHFVPAOM-OHSLDDHESA-N 0 0 534.316 6.185 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000102438029 554928999 /nfs/dbraw/zinc/92/89/99/554928999.db2.gz HYBLWDOQGXPVGZ-RBOWJBJUSA-N 0 0 562.851 5.918 50 30 KKEARN CC1(C)[C@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102445879 554930512 /nfs/dbraw/zinc/93/05/12/554930512.db2.gz WSNCSAOLKHUMIY-QFIPXVFZSA-N 0 0 610.486 6.189 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)c([C@H](C#N)c3ccc(C)cc3)cc2C)c1 ZINC000102452405 554932717 /nfs/dbraw/zinc/93/27/17/554932717.db2.gz ARANBGHHIUXVLJ-VPUSJEBWSA-N 0 0 547.677 5.076 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102485282 554937969 /nfs/dbraw/zinc/93/79/69/554937969.db2.gz RVBQEVOVFAOFCV-KQAPWQHSSA-N 0 0 530.602 5.565 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486864 554938462 /nfs/dbraw/zinc/93/84/62/554938462.db2.gz BDGISKPRXCUTLU-JBCNATCCSA-N 0 0 511.372 5.370 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102487834 554938497 /nfs/dbraw/zinc/93/84/97/554938497.db2.gz QSAWLLYDWMLVGG-QKJBWNOYSA-N 0 0 544.629 5.955 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102487844 554938598 /nfs/dbraw/zinc/93/85/98/554938598.db2.gz QSAWLLYDWMLVGG-KQAPWQHSSA-N 0 0 544.629 5.955 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000102490783 554939021 /nfs/dbraw/zinc/93/90/21/554939021.db2.gz VCQXWKGCNCXWDQ-CZNAVJSXSA-N 0 0 550.449 5.795 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1 ZINC000102490792 554939096 /nfs/dbraw/zinc/93/90/96/554939096.db2.gz VCQXWKGCNCXWDQ-CJJGVWJISA-N 0 0 550.449 5.795 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102495994 554940579 /nfs/dbraw/zinc/94/05/79/554940579.db2.gz QXECPYKHWQPUJW-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102497264 554941027 /nfs/dbraw/zinc/94/10/27/554941027.db2.gz RMBJELRJJDBNNE-VEZPTTSMSA-N 0 0 580.637 5.617 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102505370 554944579 /nfs/dbraw/zinc/94/45/79/554944579.db2.gz GRCGAXCYCMRQSA-AYWGPLOBSA-N 0 0 516.575 5.257 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102507788 554945233 /nfs/dbraw/zinc/94/52/33/554945233.db2.gz XZNOTYCMIVQNGG-QMMFTLRZSA-N 0 0 617.068 10.006 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102509772 554946034 /nfs/dbraw/zinc/94/60/34/554946034.db2.gz QNTWGJQNGFWLKI-MOBKVPTQSA-N 0 0 527.802 5.518 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102511229 554946182 /nfs/dbraw/zinc/94/61/82/554946182.db2.gz ZTUVTZMLQOYKAF-ZHHPLPSFSA-N 0 0 549.446 6.392 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102515136 554947616 /nfs/dbraw/zinc/94/76/16/554947616.db2.gz XSEDRAWQKVPMQP-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516552 554947856 /nfs/dbraw/zinc/94/78/56/554947856.db2.gz SRRGIMJFMPGXMJ-HOGKFDNTSA-N 0 0 504.539 5.387 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102516446 554947874 /nfs/dbraw/zinc/94/78/74/554947874.db2.gz TVTOUJXROLXZFZ-DFXXOVSGSA-N 0 0 530.621 5.454 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F ZINC000102517707 554948685 /nfs/dbraw/zinc/94/86/85/554948685.db2.gz OTDFZIROVCZWGW-VEZPTTSMSA-N 0 0 600.613 9.491 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102518270 554948941 /nfs/dbraw/zinc/94/89/41/554948941.db2.gz WMECLYJRJRADKA-QKJBWNOYSA-N 0 0 514.603 5.947 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102525182 554951644 /nfs/dbraw/zinc/95/16/44/554951644.db2.gz PYUNOQFISYRQMI-NPJIAGGLSA-N 0 0 516.594 6.584 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102526898 554952120 /nfs/dbraw/zinc/95/21/20/554952120.db2.gz FDOARFHAVWHUMD-NPJIAGGLSA-N 0 0 535.438 5.953 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527804 554952730 /nfs/dbraw/zinc/95/27/30/554952730.db2.gz XAYIFVDGZWAHQA-NPJIAGGLSA-N 0 0 546.601 5.347 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102530920 554953883 /nfs/dbraw/zinc/95/38/83/554953883.db2.gz HKYSPVGLDTYFSQ-UVDRRRQGSA-N 0 0 528.586 5.335 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102531317 554953913 /nfs/dbraw/zinc/95/39/13/554953913.db2.gz FHFRTJQHEAAGKL-SZYGQJGOSA-N 0 0 642.675 9.369 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102530910 554953937 /nfs/dbraw/zinc/95/39/37/554953937.db2.gz HKYSPVGLDTYFSQ-ZZIWUOEGSA-N 0 0 528.586 5.335 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102539117 554956818 /nfs/dbraw/zinc/95/68/18/554956818.db2.gz FTRJYXWMXGRAKY-QJGFIUGVSA-N 0 0 545.632 6.193 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102539890 554957074 /nfs/dbraw/zinc/95/70/74/554957074.db2.gz VFUPRKIEELZDHI-ZHHPLPSFSA-N 0 0 505.442 5.464 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102544212 554958373 /nfs/dbraw/zinc/95/83/73/554958373.db2.gz XZGGZDVIOWDSBP-VURVUJTCSA-N 0 0 554.668 6.652 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102546376 554959392 /nfs/dbraw/zinc/95/93/92/554959392.db2.gz HDYTVSCYVDCQLG-AQUGINBJSA-N 0 0 598.721 7.050 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102548624 554960522 /nfs/dbraw/zinc/96/05/22/554960522.db2.gz QDJLITPFNHGVSS-UTDZTPKCSA-N 0 0 614.720 6.744 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102550686 554961671 /nfs/dbraw/zinc/96/16/71/554961671.db2.gz BGVFESSXRRYENF-UJWLLDLUSA-N 0 0 542.613 5.572 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102550613 554961688 /nfs/dbraw/zinc/96/16/88/554961688.db2.gz GHDQPNUKBRKSTN-MNOIWJKESA-N 0 0 559.663 5.152 50 30 KKEARN CCCCCCCCCCCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000102551197 554961919 /nfs/dbraw/zinc/96/19/19/554961919.db2.gz OCJBYROIEDTESB-TZYDDWRUSA-N 0 0 571.762 7.837 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102552385 554962502 /nfs/dbraw/zinc/96/25/02/554962502.db2.gz BHLCFYGRPPKTPI-MIOXIQPJSA-N 0 0 543.616 5.657 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102553005 554962780 /nfs/dbraw/zinc/96/27/80/554962780.db2.gz VRAWDZRFMYEJGL-AZIATFRCSA-N 0 0 602.712 7.442 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102552454 554962798 /nfs/dbraw/zinc/96/27/98/554962798.db2.gz XEQSPIUXGMGOII-WGGXKBPPSA-N 0 0 543.616 5.657 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102553441 554963205 /nfs/dbraw/zinc/96/32/05/554963205.db2.gz XINQQCBPBZFJNY-ZAOVDLIJSA-N 0 0 593.680 5.696 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102554420 554963790 /nfs/dbraw/zinc/96/37/90/554963790.db2.gz SIBMBKMCRRABMQ-CJJGVWJISA-N 0 0 528.630 6.372 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555851 554964354 /nfs/dbraw/zinc/96/43/54/554964354.db2.gz BSCJSQIBGKIKJB-PDZZUNKHSA-N 0 0 588.657 6.573 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557573 554965321 /nfs/dbraw/zinc/96/53/21/554965321.db2.gz VRLDWSOIKRNOGX-OTQMSCLFSA-N 0 0 576.671 5.757 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102560149 554967483 /nfs/dbraw/zinc/96/74/83/554967483.db2.gz OTCXKTNBYVXJDY-HALAOQOWSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102560504 554967520 /nfs/dbraw/zinc/96/75/20/554967520.db2.gz XHDKUQWGJSGNFG-SLPYKNDMSA-N 0 0 584.694 6.880 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102560156 554967591 /nfs/dbraw/zinc/96/75/91/554967591.db2.gz OTCXKTNBYVXJDY-AIKCTZLLSA-N 0 0 561.457 6.317 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102561056 554968032 /nfs/dbraw/zinc/96/80/32/554968032.db2.gz CFTDZQANBPBEHM-AIKCTZLLSA-N 0 0 500.551 5.694 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102561524 554968242 /nfs/dbraw/zinc/96/82/42/554968242.db2.gz VPVRXRPRWLBCRC-AHPONGEQSA-N 0 0 571.670 5.946 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561995 554968280 /nfs/dbraw/zinc/96/82/80/554968280.db2.gz SHBFOLFOIWCVRK-QKJBWNOYSA-N 0 0 512.587 5.619 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102561428 554968313 /nfs/dbraw/zinc/96/83/13/554968313.db2.gz ICJBSHULJCAZFF-VGZNNGDKSA-N 0 0 598.721 7.132 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102562010 554968335 /nfs/dbraw/zinc/96/83/35/554968335.db2.gz MSXQZBHQAIGOEW-NXLSWJSLSA-N 0 0 510.373 5.429 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102563041 554968754 /nfs/dbraw/zinc/96/87/54/554968754.db2.gz BYXTUXUEWKTTQK-ZHHPLPSFSA-N 0 0 534.634 5.660 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563012 554968782 /nfs/dbraw/zinc/96/87/82/554968782.db2.gz PCDGDWLUGBWKLS-LLAWDOGUSA-N 0 0 575.086 7.078 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102563274 554968871 /nfs/dbraw/zinc/96/88/71/554968871.db2.gz BXQHQUBNEOHPCP-MNOIWJKESA-N 0 0 535.600 5.511 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102564306 554969444 /nfs/dbraw/zinc/96/94/44/554969444.db2.gz PZNROVYMGXBGRG-WZEFDDPJSA-N 0 0 529.637 5.288 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102564811 554969681 /nfs/dbraw/zinc/96/96/81/554969681.db2.gz UXGRPSNYHSLLJZ-SMOAUKQDSA-N 0 0 604.684 6.834 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102568945 554970197 /nfs/dbraw/zinc/97/01/97/554970197.db2.gz NJBLRTBZKKKBCY-FPRSLYQBSA-N 0 0 570.667 6.434 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102570551 554970302 /nfs/dbraw/zinc/97/03/02/554970302.db2.gz JVMTWIZMZVBYIA-YFFBQLFZSA-N 0 0 504.589 5.316 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102586738 554973354 /nfs/dbraw/zinc/97/33/54/554973354.db2.gz UEVPYOSUSDJRQZ-IUKMQXEJSA-N 0 0 512.587 5.565 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102592909 554974404 /nfs/dbraw/zinc/97/44/04/554974404.db2.gz KSFVKWCVIQHPBL-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000102604234 554978103 /nfs/dbraw/zinc/97/81/03/554978103.db2.gz KABGCIREFKITNS-AHPONGEQSA-N 0 0 517.754 8.898 50 30 KKEARN CC(C)(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000102610394 554980745 /nfs/dbraw/zinc/98/07/45/554980745.db2.gz IXBWWALVGCMTOK-OKCVXOCRSA-N 0 0 567.940 8.222 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4cc(F)ccc4Cl)CC3)cc2=O)cc1 ZINC000102611820 554981752 /nfs/dbraw/zinc/98/17/52/554981752.db2.gz FPMMMIOROMBTBS-UHFFFAOYSA-N 0 0 558.009 5.508 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000102614301 554984047 /nfs/dbraw/zinc/98/40/47/554984047.db2.gz MEGKPHRRASRNFA-AHPONGEQSA-N 0 0 535.744 9.037 50 30 KKEARN O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000102643983 554991454 /nfs/dbraw/zinc/99/14/54/554991454.db2.gz JTICELOMYHOGMT-SANMLTNESA-N 0 0 530.536 5.030 50 30 KKEARN COc1ccc(/C=C2\CCC/C(=C/c3ccc(OC)c(COc4ccccc4F)c3)C2=O)cc1COc1ccccc1F ZINC000102644939 554991657 /nfs/dbraw/zinc/99/16/57/554991657.db2.gz VEARTRHSXOCFOY-SZNZDIFOSA-N 0 0 582.643 8.360 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102645729 554992194 /nfs/dbraw/zinc/99/21/94/554992194.db2.gz WLTIEMZVMXNQBY-RWMNMRIUSA-N 0 0 541.644 6.210 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CCC)CCC)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102646452 554992719 /nfs/dbraw/zinc/99/27/19/554992719.db2.gz QIXPUZJAPDLDTD-RPLLCQBOSA-N 0 0 568.640 5.314 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102648991 554994562 /nfs/dbraw/zinc/99/45/62/554994562.db2.gz VDXJYORLDFEECC-RWMNMRIUSA-N 0 0 557.643 5.446 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650941 554995601 /nfs/dbraw/zinc/99/56/01/554995601.db2.gz LLRCBKKAZMGIJC-KGBBCNSRSA-N 0 0 565.478 7.170 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651452 554995960 /nfs/dbraw/zinc/99/59/60/554995960.db2.gz ISIDYMRBXQAAAD-DFXXOVSGSA-N 0 0 602.665 5.890 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651491 554996089 /nfs/dbraw/zinc/99/60/89/554996089.db2.gz ZVUXVOHNCRCTPF-ROBPHKHBSA-N 0 0 596.661 5.767 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651557 554996185 /nfs/dbraw/zinc/99/61/85/554996185.db2.gz CHIANQSMUNBYCC-ZHHPLPSFSA-N 0 0 548.617 5.149 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102653386 554997072 /nfs/dbraw/zinc/99/70/72/554997072.db2.gz CCCZHNLAEUEHKE-WGGXKBPPSA-N 0 0 558.631 5.442 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653941 554997444 /nfs/dbraw/zinc/99/74/44/554997444.db2.gz BSCJSQIBGKIKJB-JDSQIOQSSA-N 0 0 588.657 6.573 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102654719 554997653 /nfs/dbraw/zinc/99/76/53/554997653.db2.gz IHLZJUIYRSSNBV-XKNZNLGKSA-N 0 0 570.667 6.434 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102655708 554998343 /nfs/dbraw/zinc/99/83/43/554998343.db2.gz RWAICWREIPEQFD-YELMDPSYSA-N 0 0 573.690 5.542 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664300 555001162 /nfs/dbraw/zinc/00/11/62/555001162.db2.gz JVEIDLADPWFWMF-OFNYXUPYSA-N 0 0 558.631 6.564 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663829 555001220 /nfs/dbraw/zinc/00/12/20/555001220.db2.gz LARFBJZKZVJTET-WGQAXHKASA-N 0 0 516.550 5.394 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102671676 555002671 /nfs/dbraw/zinc/00/26/71/555002671.db2.gz MVHKTIMSHCQZAQ-NXLSWJSLSA-N 0 0 514.559 5.011 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678847 555004819 /nfs/dbraw/zinc/00/48/19/555004819.db2.gz SJBARLIUXUSWCH-VDGASQMCSA-N 0 0 616.711 7.209 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102687300 555007217 /nfs/dbraw/zinc/00/72/17/555007217.db2.gz UJSFRTOEEJZMFW-PMERELPUSA-N 0 0 566.683 5.671 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000102688612 555007597 /nfs/dbraw/zinc/00/75/97/555007597.db2.gz SCUKFAUXEOFIKS-BHYZAODMSA-N 0 0 533.112 8.720 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000102690850 555008323 /nfs/dbraw/zinc/00/83/23/555008323.db2.gz GZCAMEKHRWRESK-UUALVTFQSA-N 0 0 511.578 5.184 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102694416 555009432 /nfs/dbraw/zinc/00/94/32/555009432.db2.gz UAYCAVUOIRUNOW-COUQNMRISA-N 0 0 549.446 6.311 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102694150 555009561 /nfs/dbraw/zinc/00/95/61/555009561.db2.gz PSFRAJHLGKHSDS-ZHHPLPSFSA-N 0 0 504.633 6.335 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697427 555011957 /nfs/dbraw/zinc/01/19/57/555011957.db2.gz XJKDCOCGKJGOAO-NPJIAGGLSA-N 0 0 516.594 6.413 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102704423 555013995 /nfs/dbraw/zinc/01/39/95/555013995.db2.gz ZEMCOQGAIBXAPQ-UVDRRRQGSA-N 0 0 529.574 5.765 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102713128 555017748 /nfs/dbraw/zinc/01/77/48/555017748.db2.gz BTWRAVPBHDCFDL-SBXHHDGASA-N 0 0 516.575 5.344 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000102715292 555018228 /nfs/dbraw/zinc/01/82/28/555018228.db2.gz UAFHPNMZYBTWIY-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102714411 555018314 /nfs/dbraw/zinc/01/83/14/555018314.db2.gz BZYYSEGETWHQPL-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102716900 555018908 /nfs/dbraw/zinc/01/89/08/555018908.db2.gz YQLLUERVHDSAFV-KQAPWQHSSA-N 0 0 530.602 5.565 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102717136 555018954 /nfs/dbraw/zinc/01/89/54/555018954.db2.gz HGOUBVNYVWNKEL-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102718011 555019311 /nfs/dbraw/zinc/01/93/11/555019311.db2.gz ZCYYICGYHKKVJC-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102725484 555021194 /nfs/dbraw/zinc/02/11/94/555021194.db2.gz CFRMZSFTHAZPTR-IUKMQXEJSA-N 0 0 544.629 5.901 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)c1 ZINC000102729944 555023246 /nfs/dbraw/zinc/02/32/46/555023246.db2.gz YTCOMQHNSHOFEQ-IUKMQXEJSA-N 0 0 514.603 6.027 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102731951 555023804 /nfs/dbraw/zinc/02/38/04/555023804.db2.gz XRTKZKRGLYWNIM-QMMFTLRZSA-N 0 0 540.660 5.026 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3c(F)c(F)cc(F)c3F)cc2)c1 ZINC000102732387 555024056 /nfs/dbraw/zinc/02/40/56/555024056.db2.gz DDLBGDNVAUKKLP-RLAPIPATSA-N 0 0 526.555 6.622 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102732547 555024070 /nfs/dbraw/zinc/02/40/70/555024070.db2.gz ZBVZZQHAMZVUFM-DFXXOVSGSA-N 0 0 542.035 5.936 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3)cc2)c1 ZINC000102732650 555024121 /nfs/dbraw/zinc/02/41/21/555024121.db2.gz LEFIEPZREBRZGL-TXTDGAROSA-N 0 0 507.590 5.283 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735474 555025573 /nfs/dbraw/zinc/02/55/73/555025573.db2.gz KBNHGJJMAILFAX-NNZNMFTDSA-N 0 0 588.685 7.133 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735543 555025827 /nfs/dbraw/zinc/02/58/27/555025827.db2.gz AKWSCRIRFNPPCA-JNYBUSFRSA-N 0 0 588.685 7.133 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735555 555025890 /nfs/dbraw/zinc/02/58/90/555025890.db2.gz AOMFXNQLRZDOAH-IZSGBISHSA-N 0 0 609.103 7.478 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735552 555025896 /nfs/dbraw/zinc/02/58/96/555025896.db2.gz AOMFXNQLRZDOAH-YZUJGMDRSA-N 0 0 609.103 7.478 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737006 555026358 /nfs/dbraw/zinc/02/63/58/555026358.db2.gz QLUGADQCJFSLRD-RKQXULEVSA-N 0 0 541.585 5.771 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736994 555026421 /nfs/dbraw/zinc/02/64/21/555026421.db2.gz GODSRMBHFPUGCQ-YMCWBSDSSA-N 0 0 518.978 5.605 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770937 555058518 /nfs/dbraw/zinc/05/85/18/555058518.db2.gz QWAFOVOHNLWIFG-SSELITHESA-N 0 0 528.605 6.509 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102770860 555058559 /nfs/dbraw/zinc/05/85/59/555058559.db2.gz DPJQGHMCRVQFKD-FZIYRNTBSA-N 0 0 538.669 6.852 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102770878 555058567 /nfs/dbraw/zinc/05/85/67/555058567.db2.gz IGFZLPZHMTWSQQ-RIIRCPHSSA-N 0 0 552.696 7.160 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102770919 555058597 /nfs/dbraw/zinc/05/85/97/555058597.db2.gz CLIPPIZVUZAKLZ-FZIYRNTBSA-N 0 0 524.642 6.678 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770948 555058969 /nfs/dbraw/zinc/05/89/69/555058969.db2.gz RANMIEHHWOVNED-YREDKMEYSA-N 0 0 597.762 7.212 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770982 555059004 /nfs/dbraw/zinc/05/90/04/555059004.db2.gz RXJGTPYEQMADRS-ROBPHKHBSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770955 555059084 /nfs/dbraw/zinc/05/90/84/555059084.db2.gz RANMIEHHWOVNED-LODGOHBISA-N 0 0 597.762 7.212 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770989 555059111 /nfs/dbraw/zinc/05/91/11/555059111.db2.gz TVEJMXCEMCTENZ-JVJOXMINSA-N 0 0 601.725 7.043 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771083 555059274 /nfs/dbraw/zinc/05/92/74/555059274.db2.gz ZVQSGAPBXAOJJI-RKQXULEVSA-N 0 0 531.033 6.516 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771086 555059352 /nfs/dbraw/zinc/05/93/52/555059352.db2.gz ZVQSGAPBXAOJJI-NIOKHIIOSA-N 0 0 531.033 6.516 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771080 555059418 /nfs/dbraw/zinc/05/94/18/555059418.db2.gz ZVQSGAPBXAOJJI-ZTLVYLBESA-N 0 0 531.033 6.516 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771023 555059515 /nfs/dbraw/zinc/05/95/15/555059515.db2.gz IPRDAECSNPLPKC-BBHOXHGRSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771337 555060284 /nfs/dbraw/zinc/06/02/84/555060284.db2.gz SLNZQTBQQJFPDY-BBHOXHGRSA-N 0 0 527.558 5.463 50 30 KKEARN CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1SCc1ccc(OC)cc1 ZINC000102771552 555060567 /nfs/dbraw/zinc/06/05/67/555060567.db2.gz NHPLFWSVUVXOCA-UHFFFAOYSA-N 0 0 566.789 6.829 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(CC)cccc1CC)C[C@](C)(c1cccnc1)O2 ZINC000102783216 555066623 /nfs/dbraw/zinc/06/66/23/555066623.db2.gz KHSXQCUEINRRTQ-URSXBLKBSA-N 0 0 546.693 5.537 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102789755 555068825 /nfs/dbraw/zinc/06/88/25/555068825.db2.gz LDGLWKQYUUFRLM-VEEOACQBSA-N 0 0 537.531 9.283 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000102833773 555079542 /nfs/dbraw/zinc/07/95/42/555079542.db2.gz JKLLWSGFDNBPBK-MFCLUPKDSA-N 0 0 585.653 5.581 50 30 KKEARN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(CCNC=C5C(=O)CC(c6ccccc6)CC5=O)CC4)cc3)sc2c1 ZINC000102836411 555080253 /nfs/dbraw/zinc/08/02/53/555080253.db2.gz BPGSHRDCDHHICZ-UHFFFAOYSA-N 0 0 607.780 5.017 50 30 KKEARN CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000102849100 555084664 /nfs/dbraw/zinc/08/46/64/555084664.db2.gz HJRQURHBTLFUBN-OAQYLSRUSA-N 0 0 534.682 5.541 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 ZINC000102857592 555088899 /nfs/dbraw/zinc/08/88/99/555088899.db2.gz UXHMNCOZXHIUMS-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102858085 555089214 /nfs/dbraw/zinc/08/92/14/555089214.db2.gz DTGNGLLZFKEGDE-ZORLYMSLSA-N 0 0 596.650 9.661 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102859306 555089647 /nfs/dbraw/zinc/08/96/47/555089647.db2.gz DGBVGVYGXQPGKH-BUANBSPESA-N 0 0 515.547 5.456 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102859119 555089748 /nfs/dbraw/zinc/08/97/48/555089748.db2.gz OUCYFDNNKRJVFA-LODGOHBISA-N 0 0 512.606 5.596 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102859694 555090051 /nfs/dbraw/zinc/09/00/51/555090051.db2.gz VFGFNUSISZEZLM-TXTDGAROSA-N 0 0 530.621 5.454 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102860498 555090576 /nfs/dbraw/zinc/09/05/76/555090576.db2.gz UHLJKHLCDYEBOF-MOBKVPTQSA-N 0 0 500.382 5.101 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102861601 555091554 /nfs/dbraw/zinc/09/15/54/555091554.db2.gz KTAKARHYGNUMAE-COUQNMRISA-N 0 0 549.446 6.311 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102861971 555091901 /nfs/dbraw/zinc/09/19/01/555091901.db2.gz YTLSWLZBJLERHI-AHPONGEQSA-N 0 0 612.649 9.361 50 30 KKEARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000102862277 555092265 /nfs/dbraw/zinc/09/22/65/555092265.db2.gz WVECGOSHLCROMP-WXFUMESZSA-N 0 0 520.010 5.212 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102867222 555096610 /nfs/dbraw/zinc/09/66/10/555096610.db2.gz XKXBMVGUPGWXFC-UUALVTFQSA-N 0 0 533.577 5.250 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867241 555096648 /nfs/dbraw/zinc/09/66/48/555096648.db2.gz KXUKOWRWRPGNAR-QBTYMPIYSA-N 0 0 556.640 6.043 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000102867464 555096953 /nfs/dbraw/zinc/09/69/53/555096953.db2.gz FTKDMGJGQKYONK-IIHDFJPDSA-N 0 0 574.655 5.533 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102868057 555097655 /nfs/dbraw/zinc/09/76/55/555097655.db2.gz SWTVADLJTFQIAT-RTMQWWODSA-N 0 0 526.614 5.871 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868469 555097978 /nfs/dbraw/zinc/09/79/78/555097978.db2.gz UXUCTMCKQMZBIH-KNZGKXHUSA-N 0 0 607.482 6.031 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869228 555098542 /nfs/dbraw/zinc/09/85/42/555098542.db2.gz GAUIZDOODRXRBD-AYWGPLOBSA-N 0 0 518.978 5.656 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102869099 555098620 /nfs/dbraw/zinc/09/86/20/555098620.db2.gz ATRNNJBBCKQESI-NXLSWJSLSA-N 0 0 502.567 6.023 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869368 555098834 /nfs/dbraw/zinc/09/88/34/555098834.db2.gz DIIWPGNAYVFXFS-RIIRCPHSSA-N 0 0 554.668 6.652 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869845 555099447 /nfs/dbraw/zinc/09/94/47/555099447.db2.gz KJLZSQLRWLCGBZ-GRBPGWBESA-N 0 0 600.693 6.442 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102869992 555099759 /nfs/dbraw/zinc/09/97/59/555099759.db2.gz UVMKHUYRQJGVOS-YTOFDDCBSA-N 0 0 604.684 6.890 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870160 555100065 /nfs/dbraw/zinc/10/00/65/555100065.db2.gz GWFONCWXCNHDAU-LOTNQUKISA-N 0 0 628.747 7.222 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870156 555100112 /nfs/dbraw/zinc/10/01/12/555100112.db2.gz GWFONCWXCNHDAU-YSJQHINGSA-N 0 0 628.747 7.222 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870061 555100156 /nfs/dbraw/zinc/10/01/56/555100156.db2.gz BGPDUHYKNOFSDC-PLWHFILJSA-N 0 0 590.698 6.003 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870056 555100167 /nfs/dbraw/zinc/10/01/67/555100167.db2.gz BGPDUHYKNOFSDC-IOUQRVAPSA-N 0 0 590.698 6.003 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102870082 555100171 /nfs/dbraw/zinc/10/01/71/555100171.db2.gz VNCIUXHUBGITPF-LOOKCOSASA-N 0 0 531.605 5.803 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102872239 555102818 /nfs/dbraw/zinc/10/28/18/555102818.db2.gz XYCLMLKJOOZHBT-UTDZTPKCSA-N 0 0 614.720 6.888 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102873990 555104008 /nfs/dbraw/zinc/10/40/08/555104008.db2.gz QTEBLXHFVRNGBD-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000102873992 555104079 /nfs/dbraw/zinc/10/40/79/555104079.db2.gz QTEBLXHFVRNGBD-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874810 555104880 /nfs/dbraw/zinc/10/48/80/555104880.db2.gz BZCRFEHPOSDKTJ-MOBKVPTQSA-N 0 0 535.419 6.002 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102876614 555106189 /nfs/dbraw/zinc/10/61/89/555106189.db2.gz RYSXHNVNTLHAAF-QMMFTLRZSA-N 0 0 617.068 10.006 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102877999 555107189 /nfs/dbraw/zinc/10/71/89/555107189.db2.gz KSUDEAQMIUKZID-ZHJYXLETSA-N 0 0 511.618 6.201 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102879331 555108502 /nfs/dbraw/zinc/10/85/02/555108502.db2.gz RIGKEERXZCGIDF-COUQNMRISA-N 0 0 549.446 6.311 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880112 555109035 /nfs/dbraw/zinc/10/90/35/555109035.db2.gz GIUDJNKDKADMJG-CZNAVJSXSA-N 0 0 528.630 6.453 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880114 555109048 /nfs/dbraw/zinc/10/90/48/555109048.db2.gz GIUDJNKDKADMJG-CJJGVWJISA-N 0 0 528.630 6.453 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102880212 555109273 /nfs/dbraw/zinc/10/92/73/555109273.db2.gz VDAIJGSCNPEUPZ-QZDFLZESSA-N 0 0 555.671 6.456 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102882773 555111033 /nfs/dbraw/zinc/11/10/33/555111033.db2.gz JWTAHHJVYCVJGQ-ONQGDUAMSA-N 0 0 500.595 5.445 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883493 555111995 /nfs/dbraw/zinc/11/19/95/555111995.db2.gz SHHLDHWGMTTXOK-HRIGBTNYSA-N 0 0 542.613 5.577 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883841 555112378 /nfs/dbraw/zinc/11/23/78/555112378.db2.gz NTUXJUUDVICZJN-JFTLGNCFSA-N 0 0 530.577 5.784 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884188 555112828 /nfs/dbraw/zinc/11/28/28/555112828.db2.gz NNQSEOUKTKWKJE-ONQGDUAMSA-N 0 0 556.640 6.181 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102884406 555113497 /nfs/dbraw/zinc/11/34/97/555113497.db2.gz URQDIUNGHVBFOQ-TVXPFAQOSA-N 0 0 526.614 5.953 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102884404 555113543 /nfs/dbraw/zinc/11/35/43/555113543.db2.gz URQDIUNGHVBFOQ-XVTRYDTASA-N 0 0 526.614 5.953 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884674 555114195 /nfs/dbraw/zinc/11/41/95/555114195.db2.gz VJRUVOHCRTVLLJ-UVDRRRQGSA-N 0 0 543.557 5.219 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884796 555114568 /nfs/dbraw/zinc/11/45/68/555114568.db2.gz RVRONKCYPLHIOQ-LLAWDOGUSA-N 0 0 556.640 5.962 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885014 555114878 /nfs/dbraw/zinc/11/48/78/555114878.db2.gz ITTVUIGMSANNNE-AMKIGSDESA-N 0 0 526.614 5.953 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885411 555115394 /nfs/dbraw/zinc/11/53/94/555115394.db2.gz IAHZHVVUXNSECS-JRPVAJNPSA-N 0 0 531.033 6.462 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102885866 555116152 /nfs/dbraw/zinc/11/61/52/555116152.db2.gz HLCJFOVBYPQAGZ-ZORLYMSLSA-N 0 0 562.751 8.806 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886252 555116637 /nfs/dbraw/zinc/11/66/37/555116637.db2.gz SSSVFQUORNPMHA-CKXNDDTFSA-N 0 0 572.639 5.749 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886680 555117267 /nfs/dbraw/zinc/11/72/67/555117267.db2.gz CKYDGXHMBNNJFI-BBHOXHGRSA-N 0 0 513.575 5.040 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886745 555117308 /nfs/dbraw/zinc/11/73/08/555117308.db2.gz KGCFTELPXKBUHC-IZSGBISHSA-N 0 0 614.720 6.832 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886646 555117327 /nfs/dbraw/zinc/11/73/27/555117327.db2.gz BYFNZARDCCOXRA-HTUFKCTLSA-N 0 0 542.613 5.653 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886750 555117334 /nfs/dbraw/zinc/11/73/34/555117334.db2.gz KGCFTELPXKBUHC-YZUJGMDRSA-N 0 0 614.720 6.832 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887155 555118250 /nfs/dbraw/zinc/11/82/50/555118250.db2.gz IHNBFGHVAILJJJ-CKXNDDTFSA-N 0 0 602.665 5.671 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887079 555118272 /nfs/dbraw/zinc/11/82/72/555118272.db2.gz HTWZZAUQHVPKSQ-VEZPTTSMSA-N 0 0 606.656 6.281 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887290 555118909 /nfs/dbraw/zinc/11/89/09/555118909.db2.gz UQRFWAPZBXUMTG-FLJNSMSWSA-N 0 0 600.693 6.442 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102887324 555118960 /nfs/dbraw/zinc/11/89/60/555118960.db2.gz LJWWOEMPRVQPGO-VEZPTTSMSA-N 0 0 590.657 6.581 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887728 555119899 /nfs/dbraw/zinc/11/98/99/555119899.db2.gz OSUROUUHUGWTRO-NGAXIMOQSA-N 0 0 602.709 6.313 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887756 555120172 /nfs/dbraw/zinc/12/01/72/555120172.db2.gz BOLUSANVDUIYRP-LOOKCOSASA-N 0 0 632.735 6.322 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102888597 555121905 /nfs/dbraw/zinc/12/19/05/555121905.db2.gz XXBOMZGHXUHKKE-WGGXKBPPSA-N 0 0 600.693 6.517 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888678 555121941 /nfs/dbraw/zinc/12/19/41/555121941.db2.gz WRHWXEJMMNPUDF-FZIUWASMSA-N 0 0 588.638 5.280 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888954 555122814 /nfs/dbraw/zinc/12/28/14/555122814.db2.gz CHQCVWBAMOCWKO-HYVCFMKYSA-N 0 0 584.694 6.824 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889432 555123815 /nfs/dbraw/zinc/12/38/15/555123815.db2.gz LVIPKUBSJPBSMR-LXBWGSFOSA-N 0 0 570.667 6.270 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102889679 555124142 /nfs/dbraw/zinc/12/41/42/555124142.db2.gz IJBNXKVFNQTNGO-UUALVTFQSA-N 0 0 582.678 6.314 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889753 555124308 /nfs/dbraw/zinc/12/43/08/555124308.db2.gz KAFUPGWNMLNMOQ-CGKJMNDRSA-N 0 0 547.032 6.298 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1CC1CCCCC1 ZINC000102889880 555124486 /nfs/dbraw/zinc/12/44/86/555124486.db2.gz OCPCUODGSYAFEA-AREMUKBSSA-N 0 0 552.515 6.316 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1OC ZINC000102890135 555125086 /nfs/dbraw/zinc/12/50/86/555125086.db2.gz KBARWAYSYVSRCW-KFLIVHAJSA-N 0 0 608.776 8.515 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890255 555125249 /nfs/dbraw/zinc/12/52/49/555125249.db2.gz LMFXTJDJEBKINU-HYVCFMKYSA-N 0 0 584.694 6.680 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890726 555125759 /nfs/dbraw/zinc/12/57/59/555125759.db2.gz MOMHOPISKAQHTD-YMMFOPJESA-N 0 0 562.644 5.367 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890613 555125925 /nfs/dbraw/zinc/12/59/25/555125925.db2.gz LNNUCCRRMHOXRE-ZHHPLPSFSA-N 0 0 520.632 5.954 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890695 555125940 /nfs/dbraw/zinc/12/59/40/555125940.db2.gz IPNLVASIYZKNPW-TXTDGAROSA-N 0 0 602.665 5.890 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102890651 555125973 /nfs/dbraw/zinc/12/59/73/555125973.db2.gz SWFGMACTOAJZAS-ZORLYMSLSA-N 0 0 595.652 5.144 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102890932 555126561 /nfs/dbraw/zinc/12/65/61/555126561.db2.gz CFUJCKNZJDWNJO-WMRKGWLDSA-N 0 0 529.637 5.288 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892465 555128667 /nfs/dbraw/zinc/12/86/67/555128667.db2.gz XOSZUOHTEKFQFC-FSDXSRJSSA-N 0 0 512.587 5.563 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1cccc2ccccc21)[C@H](O)c1ccccc1 ZINC000102892536 555128752 /nfs/dbraw/zinc/12/87/52/555128752.db2.gz YTELUSVWOMNINN-ROJLCIKYSA-N 0 0 567.792 7.465 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893118 555129825 /nfs/dbraw/zinc/12/98/25/555129825.db2.gz WNAFSJGAXLMZIV-XCSSDTEYSA-N 0 0 590.698 6.147 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102893061 555129915 /nfs/dbraw/zinc/12/99/15/555129915.db2.gz IJXNKLGHKDBHDM-KFLIVHAJSA-N 0 0 563.779 8.607 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893236 555130256 /nfs/dbraw/zinc/13/02/56/555130256.db2.gz QKFYOLXCNLDDND-GAPOMRBKSA-N 0 0 526.614 5.873 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893372 555130793 /nfs/dbraw/zinc/13/07/93/555130793.db2.gz AKTJLYXQLCEYGW-BFLOGMOSSA-N 0 0 588.682 5.923 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102893567 555131039 /nfs/dbraw/zinc/13/10/39/555131039.db2.gz AKMWKOGKGLHIMO-WRPQUVRJSA-N 0 0 550.405 5.109 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000102893575 555131042 /nfs/dbraw/zinc/13/10/42/555131042.db2.gz AKMWKOGKGLHIMO-HALAOQOWSA-N 0 0 550.405 5.109 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102893530 555131054 /nfs/dbraw/zinc/13/10/54/555131054.db2.gz XKISSRLHRYJTHY-PYCUTIABSA-N 0 0 576.649 6.005 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893850 555131631 /nfs/dbraw/zinc/13/16/31/555131631.db2.gz FUCIBNKLRCFZRC-QKJBWNOYSA-N 0 0 528.586 5.319 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894682 555132930 /nfs/dbraw/zinc/13/29/30/555132930.db2.gz LFAKLNLXGLNMGT-JFTLGNCFSA-N 0 0 547.032 6.298 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894868 555133162 /nfs/dbraw/zinc/13/31/62/555133162.db2.gz NNHQTLOKAKBSEC-ONQGDUAMSA-N 0 0 572.639 5.881 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)c1 ZINC000102894910 555133183 /nfs/dbraw/zinc/13/31/83/555133183.db2.gz UJRAYRJYRSHTPD-IUKMQXEJSA-N 0 0 512.587 5.665 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895049 555133508 /nfs/dbraw/zinc/13/35/08/555133508.db2.gz CQPSKRMPVMJZKL-CKXNDDTFSA-N 0 0 572.639 5.662 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895311 555134073 /nfs/dbraw/zinc/13/40/73/555134073.db2.gz OJPSBTBQVLNYDP-HWTUVFLMSA-N 0 0 584.694 6.742 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895309 555134121 /nfs/dbraw/zinc/13/41/21/555134121.db2.gz OJPSBTBQVLNYDP-QMDVFYPZSA-N 0 0 584.694 6.742 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895299 555134172 /nfs/dbraw/zinc/13/41/72/555134172.db2.gz PIZAIKGBJNXDET-KNZGKXHUSA-N 0 0 533.005 5.908 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000102895378 555134295 /nfs/dbraw/zinc/13/42/95/555134295.db2.gz PGDTYAMIJJXLGD-UUALVTFQSA-N 0 0 539.657 6.484 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102895483 555134686 /nfs/dbraw/zinc/13/46/86/555134686.db2.gz PEHVTWJHWLCKCV-WGGXKBPPSA-N 0 0 543.616 5.513 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102895548 555134748 /nfs/dbraw/zinc/13/47/48/555134748.db2.gz BJWDZUBGSUEYBD-RJIUIVJKSA-N 0 0 591.660 6.100 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102895973 555135518 /nfs/dbraw/zinc/13/55/18/555135518.db2.gz SJQULERKCMGNBU-KQAPWQHSSA-N 0 0 530.602 5.652 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102896342 555136287 /nfs/dbraw/zinc/13/62/87/555136287.db2.gz BZQKCDGEJVZXGW-DFXXOVSGSA-N 0 0 610.732 7.049 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102896637 555136532 /nfs/dbraw/zinc/13/65/32/555136532.db2.gz PHRJUSZWGCCWID-YTOFDDCBSA-N 0 0 604.684 6.890 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102896574 555136613 /nfs/dbraw/zinc/13/66/13/555136613.db2.gz CWFGLWYTGJEABI-QMMFTLRZSA-N 0 0 556.162 9.382 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102898209 555138252 /nfs/dbraw/zinc/13/82/52/555138252.db2.gz QMUIXTXCYBZYPR-ZZIWUOEGSA-N 0 0 563.473 6.619 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102899408 555139061 /nfs/dbraw/zinc/13/90/61/555139061.db2.gz WJPJXHWSKBRNSP-MIOXIQPJSA-N 0 0 558.631 5.298 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102899759 555139665 /nfs/dbraw/zinc/13/96/65/555139665.db2.gz HQNCNAMBBOPZBZ-RWMNMRIUSA-N 0 0 556.659 5.851 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102926133 555150453 /nfs/dbraw/zinc/15/04/53/555150453.db2.gz BHRIFGDMDBYRHW-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102926808 555151415 /nfs/dbraw/zinc/15/14/15/555151415.db2.gz LRTWRWXHGWMXLX-DNNDWWBDSA-N 0 0 527.617 5.819 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102927265 555151939 /nfs/dbraw/zinc/15/19/39/555151939.db2.gz IHPPRIMZAJNPAG-QMMFTLRZSA-N 0 0 540.660 5.026 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102928279 555153569 /nfs/dbraw/zinc/15/35/69/555153569.db2.gz HFBCMSJVHIMULC-KQAPWQHSSA-N 0 0 514.622 6.976 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102933109 555160459 /nfs/dbraw/zinc/16/04/59/555160459.db2.gz KFEAGRQIINKBPN-BUANBSPESA-N 0 0 518.566 5.696 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000102936910 555164815 /nfs/dbraw/zinc/16/48/15/555164815.db2.gz WXKNIZWQRGWHMY-RQZHXJHFSA-N 0 0 550.419 8.102 50 30 KKEARN Cc1c(Sc2ccc(Cl)cc2)c2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000102942044 555170292 /nfs/dbraw/zinc/17/02/92/555170292.db2.gz PXXIPEYKPUXLQB-URGPHPNLSA-N 0 0 517.075 7.279 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000102973048 555183078 /nfs/dbraw/zinc/18/30/78/555183078.db2.gz VEFKCJDGLIDSOJ-PQHLKRTFSA-N 0 0 612.406 9.193 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000102973046 555183087 /nfs/dbraw/zinc/18/30/87/555183087.db2.gz VEFKCJDGLIDSOJ-DGPALRBDSA-N 0 0 612.406 9.193 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2nc3ccccc3o2)cc1 ZINC000102987164 555191143 /nfs/dbraw/zinc/19/11/43/555191143.db2.gz VHHDHPIXGUQWAU-NCELDCMTSA-N 0 0 542.429 8.453 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(C)C ZINC000102990921 555192327 /nfs/dbraw/zinc/19/23/27/555192327.db2.gz VJZKTEKAZDXWGV-UHFFFAOYSA-N 0 0 505.703 6.345 50 30 KKEARN CCCCCCCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)CC(C)C ZINC000102991544 555192728 /nfs/dbraw/zinc/19/27/28/555192728.db2.gz ACWQLYQXGIOPER-UHFFFAOYSA-N 0 0 543.648 6.827 50 30 KKEARN CCCCCCCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(=O)CCCCCCC)cc1OCCOCCO2 ZINC000102993879 555193593 /nfs/dbraw/zinc/19/35/93/555193593.db2.gz JSGOHRFJMGWNQA-UHFFFAOYSA-N 0 0 612.804 8.035 50 30 KKEARN CCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1 ZINC000102993630 555193609 /nfs/dbraw/zinc/19/36/09/555193609.db2.gz VQJWKYOOJIJHOK-UHFFFAOYSA-N 0 0 511.666 6.572 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@H](C)CC ZINC000102995484 555195003 /nfs/dbraw/zinc/19/50/03/555195003.db2.gz LZPGGPASGACPGF-XMMPIXPASA-N 0 0 514.707 6.246 50 30 KKEARN CCCCCCCCC(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000102996020 555195403 /nfs/dbraw/zinc/19/54/03/555195403.db2.gz IOYBYRDGTTVLID-PMERELPUSA-N 0 0 509.760 5.897 50 30 KKEARN CCCCCCCCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000102996045 555195479 /nfs/dbraw/zinc/19/54/79/555195479.db2.gz NYVTTYNRVQUBQX-UHFFFAOYSA-N 0 0 538.740 6.504 50 30 KKEARN CCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000102996286 555195768 /nfs/dbraw/zinc/19/57/68/555195768.db2.gz JUXFSJRLNZMCJJ-JOCHJYFZSA-N 0 0 543.531 6.384 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)CC(C)C ZINC000102997621 555196973 /nfs/dbraw/zinc/19/69/73/555196973.db2.gz FHHGAFWXJRIMMF-UHFFFAOYSA-N 0 0 512.691 6.471 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)CC(C)C ZINC000102997719 555197192 /nfs/dbraw/zinc/19/71/92/555197192.db2.gz QKJHKWHYLNSZKG-GDLZYMKVSA-N 0 0 500.724 6.987 50 30 KKEARN CCCCCCCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000102998022 555197223 /nfs/dbraw/zinc/19/72/23/555197223.db2.gz HWPPSKKGIJWKJF-UHFFFAOYSA-N 0 0 538.740 6.504 50 30 KKEARN CCCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(c3ccccc3)=C2C(=O)OCC)c1 ZINC000102998544 555197644 /nfs/dbraw/zinc/19/76/44/555197644.db2.gz LVZZVSBPMUSMKP-GDLZYMKVSA-N 0 0 533.713 7.217 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000102999586 555199329 /nfs/dbraw/zinc/19/93/29/555199329.db2.gz QVABEKFNFGSNES-GDLZYMKVSA-N 0 0 542.736 7.184 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(C)C ZINC000103000561 555200298 /nfs/dbraw/zinc/20/02/98/555200298.db2.gz PGZFYVCJMNGDAY-UHFFFAOYSA-N 0 0 540.745 7.475 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000103000647 555200548 /nfs/dbraw/zinc/20/05/48/555200548.db2.gz SFRNOEGPPWUOSB-PMERELPUSA-N 0 0 572.831 8.125 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1 ZINC000103000920 555200947 /nfs/dbraw/zinc/20/09/47/555200947.db2.gz KHOCABHRLLIUJH-UHFFFAOYSA-N 0 0 507.744 9.202 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CC[C@@H](C)C4)C2=O)cc1 ZINC000103004163 555202545 /nfs/dbraw/zinc/20/25/45/555202545.db2.gz PVFQBWBMNJYGRQ-MXJLDLDKSA-N 0 0 511.603 5.561 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000103010551 555205988 /nfs/dbraw/zinc/20/59/88/555205988.db2.gz SIRRCHJVJOBQIB-GDKKVTFASA-N 0 0 572.608 5.492 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011468 555206229 /nfs/dbraw/zinc/20/62/29/555206229.db2.gz UWKGGXWZNIEROE-QTLGCAHFSA-N 0 0 553.677 5.259 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103011674 555206494 /nfs/dbraw/zinc/20/64/94/555206494.db2.gz OGKHAUAODJUHJU-QLBJFCOMSA-N 0 0 611.016 6.106 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103015030 555208683 /nfs/dbraw/zinc/20/86/83/555208683.db2.gz OFWZCJZZDVQQKV-FTBPSBKWSA-N 0 0 595.092 6.068 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000103015288 555208702 /nfs/dbraw/zinc/20/87/02/555208702.db2.gz XGQXKMXRIABTTR-UHFFFAOYSA-N 0 0 592.139 5.013 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015827 555209191 /nfs/dbraw/zinc/20/91/91/555209191.db2.gz FNTWPCWWNMIDFF-FTBPSBKWSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103019735 555211270 /nfs/dbraw/zinc/21/12/70/555211270.db2.gz PSWBFDRDTQPVAK-UDCNLSRBSA-N 0 0 552.555 5.645 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cc4ccccc4s3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103022224 555213368 /nfs/dbraw/zinc/21/33/68/555213368.db2.gz LQEPPIBYDCOXKT-PMERELPUSA-N 0 0 550.728 6.089 50 30 KKEARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103025031 555215232 /nfs/dbraw/zinc/21/52/32/555215232.db2.gz VHAXUNRWSMNADH-QUGAMOGWSA-N 0 0 613.599 6.245 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000103026552 555216350 /nfs/dbraw/zinc/21/63/50/555216350.db2.gz NZVSAHKKUMNPHM-POUDIUBESA-N 0 0 627.685 7.554 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103030426 555218630 /nfs/dbraw/zinc/21/86/30/555218630.db2.gz IXDKKKNOGTVPDK-DSPMFFIESA-N 0 0 534.704 5.364 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000103033119 555220649 /nfs/dbraw/zinc/22/06/49/555220649.db2.gz LBSUJCWCRKFQPL-PNTFMKQHSA-N 0 0 557.565 5.428 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]3c1cccc(C(F)(F)F)c1 ZINC000103041399 555225251 /nfs/dbraw/zinc/22/52/51/555225251.db2.gz NKMGYCVKMYKWOO-XMMPIXPASA-N 0 0 536.447 7.141 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000103063015 555243995 /nfs/dbraw/zinc/24/39/95/555243995.db2.gz PXDLBCUYAURBBC-UHFFFAOYSA-N 0 0 567.412 6.143 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 ZINC000103064317 555244884 /nfs/dbraw/zinc/24/48/84/555244884.db2.gz CNPAJHACQVSKQT-ORAYPTAESA-N 0 0 524.952 5.768 50 30 KKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1 ZINC000103065598 555245829 /nfs/dbraw/zinc/24/58/29/555245829.db2.gz PPVQNFRWJNRKOV-UMSFTDKQSA-N 0 0 527.753 7.991 50 30 KKEARN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000103067850 555248263 /nfs/dbraw/zinc/24/82/63/555248263.db2.gz PWSXQWUWMJAAQD-PMERELPUSA-N 0 0 538.051 6.773 50 30 KKEARN CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000103079648 555258335 /nfs/dbraw/zinc/25/83/35/555258335.db2.gz SJCQKDZITVLYRU-LTGZKZEYSA-N 0 0 560.610 6.594 50 30 KKEARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2sccc2C#N)/C(=C\c2cccs2)C1 ZINC000103081983 555261070 /nfs/dbraw/zinc/26/10/70/555261070.db2.gz KRJBJESPZSKXOR-STIKNRRDSA-N 0 0 541.698 7.174 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1 ZINC000103084217 555263100 /nfs/dbraw/zinc/26/31/00/555263100.db2.gz WUJQQESEMMFOAX-UHFFFAOYSA-N 0 0 550.967 5.118 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)c2ccc(OCC)cc2)c1 ZINC000103102710 555280337 /nfs/dbraw/zinc/28/03/37/555280337.db2.gz BIXXEOXMESXBAR-UHFFFAOYSA-N 0 0 615.630 5.589 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000103104991 555282239 /nfs/dbraw/zinc/28/22/39/555282239.db2.gz PDENXDZAAHIBOT-NLRVBDNBSA-N 0 0 541.742 6.689 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000103124429 555292300 /nfs/dbraw/zinc/29/23/00/555292300.db2.gz FAVVSORSPPVDBD-UHFFFAOYSA-N 0 0 597.526 7.312 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)cc(-c4ccc(OC)cc4)c3C#N)C2=O)cc1 ZINC000103128932 555297187 /nfs/dbraw/zinc/29/71/87/555297187.db2.gz YMTAJMBFRXVSMY-MUUNZHRXSA-N 0 0 535.625 6.119 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000103130986 555300190 /nfs/dbraw/zinc/30/01/90/555300190.db2.gz MECKTQXIDDWATJ-UHFFFAOYSA-N 0 0 538.742 8.249 50 30 KKEARN CCCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C\c2ccc(OCC)cc2)CC3(C)C)c2ccccc2c1=O ZINC000103134501 555304003 /nfs/dbraw/zinc/30/40/03/555304003.db2.gz QMFIAXAFFFKZNT-QXMHVHEDSA-N 0 0 622.747 6.712 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000103143698 555312005 /nfs/dbraw/zinc/31/20/05/555312005.db2.gz SEUAVXIIPSFEFK-AYWGPLOBSA-N 0 0 506.426 5.939 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000103148379 555315172 /nfs/dbraw/zinc/31/51/72/555315172.db2.gz AAFVEGDTPQNWRC-UHFFFAOYSA-N 0 0 544.821 8.664 50 30 KKEARN N#Cc1cccc(NC(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000103192921 555334104 /nfs/dbraw/zinc/33/41/04/555334104.db2.gz POQQBKYBSFYINC-MUUNZHRXSA-N 0 0 537.664 5.570 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103223075 555341429 /nfs/dbraw/zinc/34/14/29/555341429.db2.gz XWGGSEOPSAHCDA-OWPQXHQJSA-N 0 0 560.691 5.255 50 30 KKEARN Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)c1 ZINC000103398384 555384930 /nfs/dbraw/zinc/38/49/30/555384930.db2.gz CEZGMHYHOPEYAD-UHFFFAOYSA-N 0 0 561.711 5.663 50 30 KKEARN Ic1ccc(/C=N/[C@@H](c2ccc(I)cc2)n2nnc3ccccc32)cc1 ZINC000103544461 555439804 /nfs/dbraw/zinc/43/98/04/555439804.db2.gz DWPZZCUBGROCIR-VMHRPQTGSA-N 0 0 564.168 5.307 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103546739 555440929 /nfs/dbraw/zinc/44/09/29/555440929.db2.gz RLWDGICRUMATSI-KEVKATSASA-N 0 0 577.851 6.025 50 30 KKEARN C=CC(=O)OC[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000103548204 555441966 /nfs/dbraw/zinc/44/19/66/555441966.db2.gz DQIUCVXYBXGOCT-FSPLSTOPSA-N 0 0 536.134 5.588 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C\C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000103614358 555456205 /nfs/dbraw/zinc/45/62/05/555456205.db2.gz FRWSQHBOPPPKBM-BVJGPYMGSA-N 0 0 507.703 7.830 50 30 KKEARN Oc1ccc2ccccc2c1/C=N\[C@H](c1ccccc1)[C@H](/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000103658727 555461364 /nfs/dbraw/zinc/46/13/64/555461364.db2.gz XZHFWJJEJMNIAF-XHPZZASRSA-N 0 0 520.632 8.425 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000103710544 555464611 /nfs/dbraw/zinc/46/46/11/555464611.db2.gz KJVUMYJFHOGSDX-NFPONTKCSA-N 0 0 571.703 6.386 50 30 KKEARN O=S(=O)(Oc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1)c1ccccc1 ZINC000103720862 555465048 /nfs/dbraw/zinc/46/50/48/555465048.db2.gz LMVFQZXIUUGXDW-NDZAJKAJSA-N 0 0 546.073 7.344 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)cc(I)c3O)S2)cc1 ZINC000103729022 555465462 /nfs/dbraw/zinc/46/54/62/555465462.db2.gz LCLVQGRVTGGRBQ-OVCLIPMQSA-N 0 0 529.197 5.213 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)c1C#N ZINC000103736662 555465812 /nfs/dbraw/zinc/46/58/12/555465812.db2.gz DYHVJJMMAUAYDY-PPDIBHTLSA-N 0 0 540.374 5.112 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(OC)c(OCc3ccc(I)cc3)cc2Br)c1C#N ZINC000103786479 555477696 /nfs/dbraw/zinc/47/76/96/555477696.db2.gz RKEQKVDBGBDDJU-KVSWJAHQSA-N 0 0 621.273 5.809 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000052955812 562695955 /nfs/dbraw/zinc/69/59/55/562695955.db2.gz QJTZXMYTWMAXII-HJTUWXLRSA-N 0 0 550.828 8.195 50 30 KKEARN C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058468799 562698004 /nfs/dbraw/zinc/69/80/04/562698004.db2.gz IWIYZLHAHLBLAM-RDNVVGNZSA-N 0 0 688.954 9.019 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)/C(=C\n5ccnc5)C[C@@]43C)[C@]1(C)CC2 ZINC000095562422 562763681 /nfs/dbraw/zinc/76/36/81/562763681.db2.gz FUKCVPOCZDICLG-GKIDCROSSA-N 0 0 560.779 6.913 50 30 KKEARN C[C@H](NC(=O)c1ccc(/N=C2/c3ccccc3N(CN3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1 ZINC000104430764 562825139 /nfs/dbraw/zinc/82/51/39/562825139.db2.gz NSXAIBDSVMYMTA-RZNUHJJPSA-N 0 0 557.698 5.420 50 30 KKEARN CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169649308 562864969 /nfs/dbraw/zinc/86/49/69/562864969.db2.gz YZBLFMPOMVTDJY-LSGXYNIPSA-N 0 0 639.830 5.729 50 30 in-man KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000222470318 571362740 /nfs/dbraw/zinc/36/27/40/571362740.db2.gz REUKUKDNBKXSOG-XQXRPGFNSA-N 0 0 547.648 5.186 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000103854530 571365887 /nfs/dbraw/zinc/36/58/87/571365887.db2.gz BZGQLUAWTHTLPD-ZHHPLPSFSA-N 0 0 536.378 5.261 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C\C=C1\CCC[C@]2(C)C[C@@H]([C@@H](C)/C=C/[C@H](C)C(C)C)C[C@@H]12 ZINC000103871923 571368287 /nfs/dbraw/zinc/36/82/87/571368287.db2.gz RNSFJPLUMBHVCW-OHFGWSIKSA-N 0 0 590.761 9.322 50 30 KKEARN C[C@H](C(=O)Oc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000104073541 571372284 /nfs/dbraw/zinc/37/22/84/571372284.db2.gz AQVRRHOCKJXEHY-CLYVBNDRSA-N 0 0 572.617 6.055 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000104175920 571375982 /nfs/dbraw/zinc/37/59/82/571375982.db2.gz VZBUWFLVMDFBSO-DFXXOVSGSA-N 0 0 515.606 6.034 50 30 KKEARN O=C(Cn1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000105166784 571391924 /nfs/dbraw/zinc/39/19/24/571391924.db2.gz LJIZMIMCHYDAGC-UHXDPXBISA-N 0 0 596.756 7.293 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C#N)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877472 571409231 /nfs/dbraw/zinc/40/92/31/571409231.db2.gz CCAHOMDKALYCPZ-IMSVFCJKSA-N 0 0 553.831 9.011 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000105959106 571409416 /nfs/dbraw/zinc/40/94/16/571409416.db2.gz DCLFNTHUYZXUBJ-YJECAWTJSA-N 0 0 501.402 5.102 50 30 KKEARN CCNS(=O)(=O)c1ccc(CNC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000105974245 571409726 /nfs/dbraw/zinc/40/97/26/571409726.db2.gz GIQGAHPDDMNUFJ-UHFFFAOYSA-N 0 0 583.160 5.709 50 30 KKEARN COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])c(C)c4C)o3)nc(NCc3ccco3)[nH]2)cc1 ZINC000106254354 571411621 /nfs/dbraw/zinc/41/16/21/571411621.db2.gz FOVAAMFTCHMXDA-OKCVXOCRSA-N 0 0 554.567 6.060 50 30 KKEARN CC(=O)Nc1ccc(N2C(=O)C[C@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000106353304 571412158 /nfs/dbraw/zinc/41/21/58/571412158.db2.gz ZOWZBOAPHMYFBP-IBGZPJMESA-N 0 0 516.526 5.083 50 30 KKEARN CC(C)(C)c1cc(Br)c(O)c(/C=N\[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503991 571412819 /nfs/dbraw/zinc/41/28/19/571412819.db2.gz GKAZTXGRLZTVSO-XSBLGQSASA-N 0 0 592.416 8.067 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000108450752 571425337 /nfs/dbraw/zinc/42/53/37/571425337.db2.gz CBAJYXMHXVCCRE-SANMLTNESA-N 0 0 512.602 7.346 50 30 biogenic KKEARN CN1c2ccc(Br)cc2/C(=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)C1=O ZINC000108556924 571426182 /nfs/dbraw/zinc/42/61/82/571426182.db2.gz JYWOJAFVRNREHE-MEFGMAGPSA-N 0 0 500.462 5.549 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000109703219 571429862 /nfs/dbraw/zinc/42/98/62/571429862.db2.gz VQJOIFDFRUXPGH-UHFFFAOYSA-N 0 0 558.446 8.098 50 30 KKEARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)sc3n2)cc1 ZINC000113481240 571439039 /nfs/dbraw/zinc/43/90/39/571439039.db2.gz PIVPKCCEQZXIED-KPSZGOFPSA-N 0 0 547.680 7.826 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccc3ccccc32)cc1-c1ccc(C(F)(F)F)cc1 ZINC000113481235 571439075 /nfs/dbraw/zinc/43/90/75/571439075.db2.gz PGCUCLOCVJEBIJ-UHFFFAOYSA-N 0 0 555.537 8.331 50 30 KKEARN Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4ccc(C(C)C)cc4)cc3)sc2nc1-c1ccccc1 ZINC000113481656 571439173 /nfs/dbraw/zinc/43/91/73/571439173.db2.gz NZMUGZRZFLXJMU-WOJGMQOQSA-N 0 0 531.681 8.126 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4C[C@H](C)C[C@H](C)C4)C3=O)cc2)c(OC)c1OC ZINC000113559947 571439911 /nfs/dbraw/zinc/43/99/11/571439911.db2.gz BECITKDFOZDTBR-LVANRGLCSA-N 0 0 582.744 5.236 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4cccc(Cl)c4)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113561282 571440176 /nfs/dbraw/zinc/44/01/76/571440176.db2.gz KMXLOWYYVOYSBZ-HTMRZCCFSA-N 0 0 554.031 5.258 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](SC(=NC#N)Nc3ccccc3Cl)C1=O)C[C@@H](C)CC2 ZINC000113561790 571440307 /nfs/dbraw/zinc/44/03/07/571440307.db2.gz DZPCSXCCUMCZFR-UGSOOPFHSA-N 0 0 531.059 5.017 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)c1 ZINC000113562106 571440407 /nfs/dbraw/zinc/44/04/07/571440407.db2.gz YGBJSXVTXZHUJR-WUKNDPDISA-N 0 0 587.726 8.431 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)c(F)c3)c12 ZINC000113563231 571440525 /nfs/dbraw/zinc/44/05/25/571440525.db2.gz OECDTBDXOVIHET-FYWRMAATSA-N 0 0 593.680 8.701 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113563878 571440609 /nfs/dbraw/zinc/44/06/09/571440609.db2.gz PQIOSUJPFMSOHM-SQAMQDMYSA-N 0 0 620.199 9.326 50 30 KKEARN O=C(C=Cc1cccs1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000113563849 571440616 /nfs/dbraw/zinc/44/06/16/571440616.db2.gz PZHLQEFGHBEVBF-WYMLVPIESA-N 0 0 535.621 6.360 50 30 KKEARN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2F)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113563875 571440619 /nfs/dbraw/zinc/44/06/19/571440619.db2.gz CTZAWZSEDKBSDE-CRGRJFMMSA-N 0 0 589.717 8.503 50 30 KKEARN C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2F)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113563872 571440639 /nfs/dbraw/zinc/44/06/39/571440639.db2.gz CTZAWZSEDKBSDE-ZJIOXEHGSA-N 0 0 589.717 8.503 50 30 KKEARN COc1cc(-c2c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3nc(N)c2C#N)cc(OC)c1OC ZINC000113564552 571440701 /nfs/dbraw/zinc/44/07/01/571440701.db2.gz ABURHDJESXZONV-ZHACJKMWSA-N 0 0 611.705 6.235 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1C ZINC000113564577 571440824 /nfs/dbraw/zinc/44/08/24/571440824.db2.gz QITZHMJHZRHFBY-FOCLMDBBSA-N 0 0 601.753 8.739 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113564611 571440855 /nfs/dbraw/zinc/44/08/55/571440855.db2.gz ZENJAVULRYPVLC-QYNZQUMISA-N 0 0 585.754 8.673 50 30 KKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000150347460 571460890 /nfs/dbraw/zinc/46/08/90/571460890.db2.gz AHADDSBKQBKMLB-OQKWZONESA-N 0 0 736.740 7.689 50 30 KKEARN O=C(/C=C/c1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(/C=C/C(=O)c6ccccc6)cc4)C5=O)cc3C2=O)cc1)c1ccccc1 ZINC000150347518 571460929 /nfs/dbraw/zinc/46/09/29/571460929.db2.gz VRUYHRWCWQTJOF-RYQLWAFASA-N 0 0 720.737 8.872 50 30 KKEARN COc1ccc(C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000150348899 571461371 /nfs/dbraw/zinc/46/13/71/571461371.db2.gz HZDOSROBTYMIRH-MBJURZOESA-N 0 0 676.773 7.912 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc2c(c1)Cc1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)ccc1-2 ZINC000150350255 571461768 /nfs/dbraw/zinc/46/17/68/571461768.db2.gz UKZASYGGARTPKI-UHFFFAOYSA-N 0 0 954.489 9.552 50 30 KKEARN COc1cc(Br)cc(/C=N/c2cc(Cc3ccc(O)c(/N=C/c4cc(Br)cc(OC)c4O)c3)ccc2O)c1O ZINC000150351353 571462184 /nfs/dbraw/zinc/46/21/84/571462184.db2.gz FEDKSFAIFIJRDH-KBVBXEEASA-N 0 0 656.327 7.143 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5ccc(/C=C/C(=O)c6ccccc6)cc5)cc4C3=O)cc2)cc1)c1ccccc1 ZINC000150351859 571462291 /nfs/dbraw/zinc/46/22/91/571462291.db2.gz UVNIULUCIMFZKA-DPCVLPDWSA-N 0 0 721.769 8.784 50 30 KKEARN Clc1cc(Cc2ccc(/N=C/c3ccc(C#Cc4ccccc4)cc3)c(Cl)c2)ccc1/N=C/c1ccc(C#Cc2ccccc2)cc1 ZINC000150353401 571462811 /nfs/dbraw/zinc/46/28/11/571462811.db2.gz ARUICNGKGMGHNF-DWBUZRECSA-N 0 0 643.617 10.885 50 30 KKEARN CCOC(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OCC)c1C ZINC000150356093 571463172 /nfs/dbraw/zinc/46/31/72/571463172.db2.gz YQVGXCJQSFTHOE-UHFFFAOYSA-N 0 0 703.367 7.358 50 30 KKEARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3cccc(NC(=O)c4ccc(NC(=O)C(C)(C)C)cc4)c3)c2)cc1 ZINC000150356646 571463278 /nfs/dbraw/zinc/46/32/78/571463278.db2.gz UNWPWDRKCSWISV-LPYMAVHISA-N 0 0 644.772 8.057 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cc(I)cc(I)c2OCc2ccccc2)C(=O)N1c1ccccc1 ZINC000150356481 571463287 /nfs/dbraw/zinc/46/32/87/571463287.db2.gz ZRVWMVZKLQGTTC-BHVNOFQDSA-N 0 0 742.420 8.900 50 30 KKEARN FC(F)(F)c1cccc(OCCO/N=C(\COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccc(-c3ccccc3)cc2)c1 ZINC000150356352 571463288 /nfs/dbraw/zinc/46/32/88/571463288.db2.gz FVUCUTZQDBENKW-JPOYYRMVSA-N 0 0 685.064 9.909 50 30 KKEARN C#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(N4C(=O)c5ccc(C(=O)Nc6cccc(C#C)c6)cc5C4=O)n2)C3=O)c1 ZINC000150356919 571463294 /nfs/dbraw/zinc/46/32/94/571463294.db2.gz CHWIMNLLQUVAER-UHFFFAOYSA-N 0 0 655.626 5.150 50 30 KKEARN O=c1[nH]c2ccc(Nc3nc4no[nH]c-4nc3=NN=Cc3cc(I)cc(I)c3OCc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000150358170 571463529 /nfs/dbraw/zinc/46/35/29/571463529.db2.gz ANWUZBLJQPVLBT-OOEWDAAOSA-N 0 0 814.169 6.467 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5nc(SCC(=O)Nc6ccc(F)cc6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000150361358 571463836 /nfs/dbraw/zinc/46/38/36/571463836.db2.gz KRAMIOZZZBGRRT-MHDJOFBISA-N 0 0 675.814 8.985 50 30 KKEARN CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(I)ccc2-c2ccc(I)cc21 ZINC000150363143 571464215 /nfs/dbraw/zinc/46/42/15/571464215.db2.gz JSGWQGOESBTDEU-UHFFFAOYSA-N 0 0 754.663 13.784 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOc1nc(Cl)nc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000150365824 571464650 /nfs/dbraw/zinc/46/46/50/571464650.db2.gz CBCNBGCPSUHKHN-UHFFFAOYSA-N 0 0 867.747 10.321 50 30 KKEARN CC(C)(c1cc(Br)c(Oc2ccc(C#N)cc2[N+](=O)[O-])c(Br)c1)c1cc(Br)c(Oc2ccc(C#N)cc2[N+](=O)[O-])c(Br)c1 ZINC000150366447 571464749 /nfs/dbraw/zinc/46/47/49/571464749.db2.gz VUCUKBXIXGJHLR-UHFFFAOYSA-N 0 0 836.085 10.207 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](Sc5nc(-c6ccccc6)cc(C(F)(F)F)c5C#N)C4=O)cc3)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000150367814 571465122 /nfs/dbraw/zinc/46/51/22/571465122.db2.gz INMULCJOFCFBLK-MEKGRNQZSA-N 0 0 828.776 8.440 50 30 KKEARN C/C(=N\N(c1ccccc1)c1c(C(=O)N2CC(=O)Nc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000150373417 571466084 /nfs/dbraw/zinc/46/60/84/571466084.db2.gz UPSCHPIICYBHMI-KCSSXMTESA-N 0 0 629.427 6.427 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC ZINC000150376324 571466346 /nfs/dbraw/zinc/46/63/46/571466346.db2.gz PPJAPOVNCNPISZ-OYBFDOIVSA-N 0 0 642.796 8.624 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000150384187 571468148 /nfs/dbraw/zinc/46/81/48/571468148.db2.gz CHVVQGHEFPJINB-FXVJXKIMSA-N 0 0 635.639 5.636 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000150384797 571468304 /nfs/dbraw/zinc/46/83/04/571468304.db2.gz RFHOVXJLKWHJPN-GVXSCFBNSA-N 0 0 628.644 6.433 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000150384839 571468322 /nfs/dbraw/zinc/46/83/22/571468322.db2.gz PERNMKXXDXLODB-ZSQFBXSQSA-N 0 0 641.042 6.114 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000150384791 571468332 /nfs/dbraw/zinc/46/83/32/571468332.db2.gz DENDCZBQFBGATG-GVXSCFBNSA-N 0 0 628.644 6.433 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150384580 571468361 /nfs/dbraw/zinc/46/83/61/571468361.db2.gz CWDFQKGJCFRUKO-PRAQEBQASA-N 0 0 640.571 6.721 50 30 KKEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(I)cc(I)c1O)C1=C(CCCC1=O)O2 ZINC000150388751 571471053 /nfs/dbraw/zinc/47/10/53/571471053.db2.gz HLHKTZJIJCLUFG-OAQYLSRUSA-N 0 0 638.243 5.686 50 30 KKEARN C#CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1I ZINC000150390298 571472600 /nfs/dbraw/zinc/47/26/00/571472600.db2.gz OVUXLLXGAPJRHV-GZTJUZNOSA-N 0 0 633.270 5.322 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 ZINC000150390828 571473066 /nfs/dbraw/zinc/47/30/66/571473066.db2.gz WLMRIDAPXQZVAE-LJQANCHMSA-N 0 0 661.198 5.888 50 30 KKEARN N=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)N(C1CCCCC1)C1CCCCC1 ZINC000150391144 571473411 /nfs/dbraw/zinc/47/34/11/571473411.db2.gz FSXSVRXRXPVIJH-UHFFFAOYSA-N 0 0 714.724 10.688 50 30 KKEARN CCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc3c(c2)C(=O)C(Sc2nnnn2-c2ccccc2)(Sc2nnnn2-c2ccccc2)C3)C1=O ZINC000150391181 571473446 /nfs/dbraw/zinc/47/34/46/571473446.db2.gz FTJOQSTXIQZGLI-JGCGQSQUSA-N 0 0 806.075 9.409 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc(Cc3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O ZINC000150391475 571473691 /nfs/dbraw/zinc/47/36/91/571473691.db2.gz IOFQSVOLECYGRT-CBLSGYJOSA-N 0 0 624.329 7.732 50 30 KKEARN C=CCn1c(=O)c(=C2Sc3ccc(Cl)cc3N2C)sc1=C1C(=O)N(c2ccccc2)N=C1Nc1cccc(Br)c1 ZINC000150391419 571473772 /nfs/dbraw/zinc/47/37/72/571473772.db2.gz CDYBKPWGQGGKCB-ABHBNJMISA-N 0 0 651.011 5.443 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc(Oc3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O ZINC000150391592 571473804 /nfs/dbraw/zinc/47/38/04/571473804.db2.gz SAXFWPJVFJVDAF-IHXWQEJPSA-N 0 0 626.301 7.934 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1N1C(=O)c2ccccc2[C@H](Sc2nnnn2-c2ccccc2)C1=O ZINC000150391518 571473859 /nfs/dbraw/zinc/47/38/59/571473859.db2.gz ZYSWTYWXGJBAFY-QNGWXLTQSA-N 0 0 681.947 10.323 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)CC)C5)n(Cc4ccccc4)c(=O)c32)C1 ZINC000150393623 571475141 /nfs/dbraw/zinc/47/51/41/571475141.db2.gz LCXAYCUFQZTQDL-LOSJGSFVSA-N 0 0 687.013 9.252 50 30 KKEARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1 ZINC000150396439 571476455 /nfs/dbraw/zinc/47/64/55/571476455.db2.gz ABIQKKGFYFBREU-UHFFFAOYSA-N 0 0 666.412 6.889 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000150397939 571477118 /nfs/dbraw/zinc/47/71/18/571477118.db2.gz YHEUOZHKPASVBB-HNWSYWITSA-N 0 0 653.757 5.298 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1cc(Br)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000150399604 571477622 /nfs/dbraw/zinc/47/76/22/571477622.db2.gz KESNRVNZLFBMCJ-JEIPZWNWSA-N 0 0 653.500 12.176 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150400395 571478009 /nfs/dbraw/zinc/47/80/09/571478009.db2.gz JCHJDZDRCWEQQN-GHRAFVERSA-N 0 0 648.550 6.589 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150401360 571478285 /nfs/dbraw/zinc/47/82/85/571478285.db2.gz YMVLZIVZGIELPG-HMILPKGGSA-N 0 0 646.600 6.229 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000150401349 571478299 /nfs/dbraw/zinc/47/82/99/571478299.db2.gz HAMWMRUKAKBIBD-VKGTZQKMSA-N 0 0 646.600 6.141 50 30 KKEARN CN(C)/C=N/c1nnc(SCC(=O)Nc2ccc(-c3nc4cc(NC(=O)CSc5nnc(/N=C/N(C)C)s5)ccc4o3)cc2)s1 ZINC000150402752 571478558 /nfs/dbraw/zinc/47/85/58/571478558.db2.gz LSBJTYBKIUOCEU-RABJZLPGSA-N 0 0 681.855 5.102 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000150409865 571482288 /nfs/dbraw/zinc/48/22/88/571482288.db2.gz URYIJMLZWNQQCL-UHFFFAOYSA-N 0 0 667.209 5.611 50 30 KKEARN COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426547 571490682 /nfs/dbraw/zinc/49/06/82/571490682.db2.gz GLFTVGYGNRKUDZ-HAQIDCBSSA-N 0 0 668.580 6.874 50 30 KKEARN COc1ccc(C=NNc2nc3ccc(Br)cc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1OC ZINC000150426471 571490753 /nfs/dbraw/zinc/49/07/53/571490753.db2.gz GGUVYOZWRYEILH-SNDAAJCPSA-N 0 0 744.487 10.772 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426824 571491173 /nfs/dbraw/zinc/49/11/73/571491173.db2.gz YLOAVMLQKROHKK-AFJIDDCJSA-N 0 0 644.559 5.813 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150429558 571492802 /nfs/dbraw/zinc/49/28/02/571492802.db2.gz UZLVCTGOFWGVQO-SATIQFTFSA-N 0 0 642.462 5.052 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150429582 571492816 /nfs/dbraw/zinc/49/28/16/571492816.db2.gz JFTBUCCUCYHBDF-RJIGRWNCSA-N 0 0 633.498 5.989 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccccc2Br)cc1)c1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Br)cc2)c([N+](=O)[O-])c1 ZINC000150429675 571493049 /nfs/dbraw/zinc/49/30/49/571493049.db2.gz URRHMECAHARMRG-KWSSJOFQSA-N 0 0 727.365 9.059 50 30 KKEARN O=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000150431611 571493700 /nfs/dbraw/zinc/49/37/00/571493700.db2.gz DTNHOADYEUCCPV-UHFFFAOYSA-N 0 0 726.446 10.093 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000150436454 571496184 /nfs/dbraw/zinc/49/61/84/571496184.db2.gz VRNOJHGSFGRXQW-WAQHJAAWSA-N 0 0 645.752 7.267 50 30 KKEARN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Br)cc2)cc1 ZINC000150436421 571496189 /nfs/dbraw/zinc/49/61/89/571496189.db2.gz BZJHFXUBCREATC-SXBRIOAWSA-N 0 0 642.419 5.221 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150442650 571498991 /nfs/dbraw/zinc/49/89/91/571498991.db2.gz JPZJVEQSSBQFFX-CHJDUVSTSA-N 0 0 636.970 7.354 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450706 571502612 /nfs/dbraw/zinc/50/26/12/571502612.db2.gz UZLVCTGOFWGVQO-WOHWVRMTSA-N 0 0 642.462 5.052 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453809 571503792 /nfs/dbraw/zinc/50/37/92/571503792.db2.gz OFSFZJIZXPIFLN-CBOKBIJUSA-N 0 0 648.737 7.232 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCCOc3ccc(/C=C4/SC(=S)N(CC=C)C4=O)cc3OC)c(OC)c2)SC1=S ZINC000150461015 571506283 /nfs/dbraw/zinc/50/62/83/571506283.db2.gz MGVLULYFRRPNSP-MKYUKRCKSA-N 0 0 668.884 6.716 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccccc3F)c(I)c2)c1C#N ZINC000150465958 571507785 /nfs/dbraw/zinc/50/77/85/571507785.db2.gz NJIYSUUZEUDHAV-IPBVOBEMSA-N 0 0 656.237 5.781 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466088 571507913 /nfs/dbraw/zinc/50/79/13/571507913.db2.gz LBDPJTIUJPUCTP-RIEKNRFYSA-N 0 0 666.752 6.722 50 30 KKEARN CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)/C=C/C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2)C1 ZINC000150477901 571511401 /nfs/dbraw/zinc/51/14/01/571511401.db2.gz ZFILZNYGZIDRMG-BUHFOSPRSA-N 0 0 666.730 7.231 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@@](=O)(Nc1ccc(SC(F)F)cc1)N(C(C)C)C(C)C ZINC000150478810 571511654 /nfs/dbraw/zinc/51/16/54/571511654.db2.gz OPQPNESHAMODFW-LDLOPFEMSA-N 0 0 653.534 7.484 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150479713 571511765 /nfs/dbraw/zinc/51/17/65/571511765.db2.gz IPCQOUJRKRXLAC-PKHCJMHPSA-N 0 0 640.571 6.721 50 30 KKEARN COc1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000150482589 571513328 /nfs/dbraw/zinc/51/33/28/571513328.db2.gz GYMSIYKLCDYXNZ-FOCLMDBBSA-N 0 0 655.723 9.450 50 30 KKEARN CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150483874 571514566 /nfs/dbraw/zinc/51/45/66/571514566.db2.gz HTTBFJBUASVCQC-AREMUKBSSA-N 0 0 738.628 11.994 50 30 KKEARN C[C@@H](Sc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000150484288 571514780 /nfs/dbraw/zinc/51/47/80/571514780.db2.gz HZKOLTRTZCCFCI-OEHBZBLPSA-N 0 0 765.755 9.296 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1OC ZINC000150484757 571515297 /nfs/dbraw/zinc/51/52/97/571515297.db2.gz WMQYNXUVTFTHIH-JSSZYCLJSA-N 0 0 681.839 9.535 50 30 KKEARN CCCCCCCCCC/C=C/CCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150492772 571517367 /nfs/dbraw/zinc/51/73/67/571517367.db2.gz PZHJQLHKUROTRN-UWHSVAFCSA-N 0 0 708.558 10.989 50 30 KKEARN CCCCCOP(=O)(OCCCCC)[C@]1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000150494381 571517525 /nfs/dbraw/zinc/51/75/25/571517525.db2.gz TUAQDOXYNBEZFD-AREMUKBSSA-N 0 0 632.941 7.553 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1cccc(Br)c1 ZINC000150494869 571517556 /nfs/dbraw/zinc/51/75/56/571517556.db2.gz KSKQJEYBQNXDSJ-VCIFXJJASA-N 0 0 773.521 9.859 50 30 KKEARN CCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150495608 571517697 /nfs/dbraw/zinc/51/76/97/571517697.db2.gz JNQUOOMSBMKUTE-DEOSSOPVSA-N 0 0 710.574 11.213 50 30 KKEARN O=P(Oc1ccccc1)(O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150498848 571518418 /nfs/dbraw/zinc/51/84/18/571518418.db2.gz YPPNORZEXLOFMQ-WOJBJXKFSA-N 0 0 790.378 11.626 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000150524526 571520342 /nfs/dbraw/zinc/52/03/42/571520342.db2.gz AKUZEUWCKMSTDI-QQXSKIMKSA-N 0 0 640.930 7.967 50 30 KKEARN O=C1c2cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc2-c2ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc21 ZINC000150585401 571521826 /nfs/dbraw/zinc/52/18/26/571521826.db2.gz QRIBPFHCYOFHEI-UHFFFAOYSA-N 0 0 904.438 8.516 50 30 KKEARN CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OS(C)(=O)=O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000150606206 571522730 /nfs/dbraw/zinc/52/27/30/571522730.db2.gz HHHWOJPZAAIUTQ-SLXDWALCSA-N 0 0 721.872 6.372 50 30 KKEARN O=C(Nc1nccs1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150612861 571523077 /nfs/dbraw/zinc/52/30/77/571523077.db2.gz COJISFOHUHKKKS-UHFFFAOYSA-N 0 0 610.198 5.817 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(Br)cc1 ZINC000150645335 571524984 /nfs/dbraw/zinc/52/49/84/571524984.db2.gz ILUSSOSGMGCMHT-VCIFXJJASA-N 0 0 773.521 9.859 50 30 KKEARN CCCCCCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000150655829 571526889 /nfs/dbraw/zinc/52/68/89/571526889.db2.gz NZNCDTSGZPRHKC-UHFFFAOYSA-N 0 0 644.006 9.680 50 30 KKEARN CCCC[C@H]1SC(C)=NN1/C(=N/c1nnc(C)s1)N1CCN(/C(=N/c2nnc(C)s2)N2N=C(C)S[C@@H]2CCCC)CC1 ZINC000150658408 571527147 /nfs/dbraw/zinc/52/71/47/571527147.db2.gz ACNPSQNUHHEKEK-ZBMNBSAJSA-N 0 0 648.958 6.096 50 30 KKEARN FC(F)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)[C@]1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F ZINC000150661663 571527339 /nfs/dbraw/zinc/52/73/39/571527339.db2.gz DFGLLDMCDAKADU-ZPAAKOCQSA-N 0 0 774.127 9.119 50 30 KKEARN CCCCCCCC/C(=N\O)c1ccc2c(c1)OCCOCCOc1cc(/C(CCCCCCCC)=N\O)ccc1OCCOCCO2 ZINC000150662111 571527677 /nfs/dbraw/zinc/52/76/77/571527677.db2.gz ICHCAJASHOEOCR-WXKOKIAESA-N 0 0 670.888 8.807 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000150662933 571528016 /nfs/dbraw/zinc/52/80/16/571528016.db2.gz RFHOVXJLKWHJPN-FTBPSBKWSA-N 0 0 628.644 6.433 50 30 KKEARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@@](O)(c3ccccc3)C[C@@H](c3ccc(OC)cc3)[C@]2(C#N)c2ccc(Cl)c(Cl)c2)cc1 ZINC000150663450 571528161 /nfs/dbraw/zinc/52/81/61/571528161.db2.gz WSUAIUQXPRMHDI-XNEJNIDWSA-N 0 0 662.613 9.130 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000169616265 571553661 /nfs/dbraw/zinc/55/36/61/571553661.db2.gz HCHAZMKINHPORA-PMOSDDBASA-N 0 0 534.565 5.035 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000169617769 571553944 /nfs/dbraw/zinc/55/39/44/571553944.db2.gz GHOGDBFUNLVHED-DXSCRLHCSA-N 0 0 581.709 6.986 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccsc1 ZINC000169620123 571554309 /nfs/dbraw/zinc/55/43/09/571554309.db2.gz FTHLFQTXYHAVLJ-GCVVEYGVSA-N 0 0 500.067 6.588 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc5c(c3)OCO5)N4)sc2C1 ZINC000169683199 571558040 /nfs/dbraw/zinc/55/80/40/571558040.db2.gz FVRNQCVDAAIPTB-TWWFPWMWSA-N 0 0 571.625 6.609 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)c(Br)c3N2)cc1 ZINC000169683092 571558053 /nfs/dbraw/zinc/55/80/53/571558053.db2.gz GGRKOBNKNQEBMI-JJXUHFIVSA-N 0 0 636.538 7.651 50 30 KKEARN Cc1cc(Cl)ccc1NC(=O)C1=CC(=O)C[C@H](c2ccc([C@@H]3CC(=O)C=C(C(=O)Nc4ccc(Cl)cc4C)O3)cc2)O1 ZINC000198720929 571568651 /nfs/dbraw/zinc/56/86/51/571568651.db2.gz IJXUNQOOYHWPMU-HNRBIFIRSA-N 0 0 605.474 6.716 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@@H](c4ccc(Cl)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@@H](c2ccc(Cl)cc2)O1 ZINC000198727026 571568786 /nfs/dbraw/zinc/56/87/86/571568786.db2.gz PETUERHDTWFKLF-BCRBLDSWSA-N 0 0 751.707 9.432 50 30 KKEARN CC[C@H](Sc1ccc(/N=C/c2cccnc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000215721210 571585348 /nfs/dbraw/zinc/58/53/48/571585348.db2.gz LQQNYOPLGCKGHO-GFNSVBDRSA-N 0 0 509.100 7.053 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1cccc(/N=C/c3cccnc3Cl)c1)CCCC2 ZINC000215741259 571585628 /nfs/dbraw/zinc/58/56/28/571585628.db2.gz NXFVEMZRWXUKIM-LDMCCHCGSA-N 0 0 528.099 6.722 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1ccccc1/N=C/c1cccnc1Cl)CC[C@@H](c1ccccc1)C2 ZINC000215748908 571585773 /nfs/dbraw/zinc/58/57/73/571585773.db2.gz RVWFVBDTYSWWAR-XRNVTWDNSA-N 0 0 543.117 7.422 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000217672386 571602261 /nfs/dbraw/zinc/60/22/61/571602261.db2.gz BAGMIDNHTXPJLG-SWYRRKHMSA-N 0 0 584.572 6.386 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000217972570 571602924 /nfs/dbraw/zinc/60/29/24/571602924.db2.gz URLBXFGVRDOHHL-YNAQZEJMSA-N 0 0 519.553 5.769 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)c1OC ZINC000217986311 571602935 /nfs/dbraw/zinc/60/29/35/571602935.db2.gz YOLHRVRSZUPKAB-HUTJOEHLSA-N 0 0 510.498 5.176 50 30 biogenic KKEARN C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccc(OC)c1OC)C3=O ZINC000218067329 571603138 /nfs/dbraw/zinc/60/31/38/571603138.db2.gz RPRNFROWKKRXAS-RWFYVVHNSA-N 0 0 528.557 5.725 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1 ZINC000218054418 571603241 /nfs/dbraw/zinc/60/32/41/571603241.db2.gz BDQKSPYEJDHCGZ-UHRFABFRSA-N 0 0 560.602 6.309 50 30 biogenic KKEARN C=CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCn1c(C)c(C(=O)OCC)c2cc(OCC=C)ccc21 ZINC000261490835 572109597 /nfs/dbraw/zinc/10/95/97/572109597.db2.gz HLRICSGXBVTYIK-UHFFFAOYSA-N 0 0 544.648 6.396 50 30 KKEARN Cn1c2ccccc2sc1=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000261490493 572109785 /nfs/dbraw/zinc/10/97/85/572109785.db2.gz CEFSZIBYBDHHRC-LZZYVFFMSA-N 0 0 518.671 7.125 50 30 KKEARN COC(=O)C[C@]1(C)CCC(C)(C)C[C@@H]1[C@]1(C)C(=O)C=C2[C@](C)(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1=O ZINC000261493220 572111840 /nfs/dbraw/zinc/11/18/40/572111840.db2.gz GESIXGHHOOKLGB-SYDDQXBASA-N 0 0 500.720 6.070 50 30 KKEARN C=CCOc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@H]4[C@H]5CC[C@@H]([C@H](C)/C=C/[C@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)cc1 ZINC000261493208 572112016 /nfs/dbraw/zinc/11/20/16/572112016.db2.gz DPLONCZUURWQCW-KBLMWTDLSA-N 0 0 572.874 10.230 50 30 KKEARN COC(=O)[C@]12CC[C@H](C)[C@H](C)[C@@H]1C1=CC(=O)[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C(=O)OC)CC2 ZINC000261493300 572112416 /nfs/dbraw/zinc/11/24/16/572112416.db2.gz PAZDKPODGCWNOL-DBDSTLMBSA-N 0 0 570.767 6.081 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2coc4ccc(Cl)cc4c2=O)CC(=O)O3)C1=O ZINC000263585508 572118909 /nfs/dbraw/zinc/11/89/09/572118909.db2.gz JLUDBIZJUPHIDP-UKDAFGSXSA-N 0 0 500.890 5.512 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5cc(C(=O)OC)cc(C(=O)OC)c5)o3)CC(=O)O4)C2=O)cc1 ZINC000263585640 572119166 /nfs/dbraw/zinc/11/91/66/572119166.db2.gz KXXYVPGXBXEKTB-ALORDFFLSA-N 0 0 608.555 5.364 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccc(OC)cc23)C4=O)cc1 ZINC000263585809 572120290 /nfs/dbraw/zinc/12/02/90/572120290.db2.gz MVXTYIHDSBYCAV-TVGVDIJASA-N 0 0 601.655 6.874 50 30 KKEARN COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc3c2[C@@H](c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O ZINC000263585903 572120915 /nfs/dbraw/zinc/12/09/15/572120915.db2.gz NROFMQUZHKLTQP-BGYGTFJPSA-N 0 0 525.513 5.023 50 30 KKEARN COc1cc(OC)c(OC)cc1C=C1Oc2c(ccc3c2[C@H](c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O ZINC000263585904 572121028 /nfs/dbraw/zinc/12/10/28/572121028.db2.gz NROFMQUZHKLTQP-OCBWPWIBSA-N 0 0 525.513 5.023 50 30 KKEARN COc1ccc(C(=O)C2=Cc3c(c4ccc5cc(OC)c(OC)cc5c4c(OC)c3OC)CCN2C)cc1 ZINC000263585987 572121677 /nfs/dbraw/zinc/12/16/77/572121677.db2.gz OPKNFZVPMAVFOV-UHFFFAOYSA-N 0 0 513.590 5.748 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@@H](c3cc5cc(OC)ccc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586681 572124570 /nfs/dbraw/zinc/12/45/70/572124570.db2.gz WXOQCMVGFNDJMF-BOGNPUBTSA-N 0 0 548.551 5.507 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1 ZINC000226074141 572127419 /nfs/dbraw/zinc/12/74/19/572127419.db2.gz IQDYQVRNAJYZQX-AAXQGBOGSA-N 0 0 516.689 7.482 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)C1 ZINC000226074197 572127492 /nfs/dbraw/zinc/12/74/92/572127492.db2.gz YWLABHUOLCHSHL-SXSCYYOBSA-N 0 0 590.771 8.963 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4C[C@H](C)C[C@H](C)C4)C3=O)cc2)cc1OC ZINC000226293506 572135806 /nfs/dbraw/zinc/13/58/06/572135806.db2.gz OUKFKXODRKIYMN-JGFFIXKTSA-N 0 0 552.718 5.228 50 30 KKEARN COc1cccc(/C=N/[C@@H]2c3cccc(OC)c3O[C@]3(/N=C/c4cccc(OC)c4O)CCCC[C@@H]23)c1O ZINC000226758022 572140510 /nfs/dbraw/zinc/14/05/10/572140510.db2.gz PJHYABLKYRVMMW-NQWRGZJFSA-N 0 0 516.594 5.682 50 30 KKEARN Cc1ccc(S(=O)(=O)C/N=C(/NC(=S)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000334158328 572153105 /nfs/dbraw/zinc/15/31/05/572153105.db2.gz HBPFEIPAXMALSR-UHFFFAOYSA-P 0 0 500.669 6.444 50 30 KKEARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1I ZINC000390834842 572155810 /nfs/dbraw/zinc/15/58/10/572155810.db2.gz HDGRHBJCLFNVGL-ZAAFYPTCSA-N 0 0 574.499 6.757 50 30 KKEARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1I ZINC000390834896 572156396 /nfs/dbraw/zinc/15/63/96/572156396.db2.gz NSXGEXQJIJMKOZ-BEBXWCLFSA-N 0 0 532.462 6.186 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000229638472 572158394 /nfs/dbraw/zinc/15/83/94/572158394.db2.gz JJWNXUCDOBOYGK-HDHDNLQWSA-N 0 0 612.682 6.250 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3ccc(Cl)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000229653157 572159089 /nfs/dbraw/zinc/15/90/89/572159089.db2.gz ZKTGFBFBWWLPCC-XGRPBWIBSA-N 0 0 554.046 5.228 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229858465 572161452 /nfs/dbraw/zinc/16/14/52/572161452.db2.gz JFTBUCCUCYHBDF-QGAYDTHSSA-N 0 0 633.498 5.989 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229860827 572161859 /nfs/dbraw/zinc/16/18/59/572161859.db2.gz YDJOWIQXOSTFFE-RSYZFUPGSA-N 0 0 622.302 6.134 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229865886 572162299 /nfs/dbraw/zinc/16/22/99/572162299.db2.gz QENDRKRNFZRFCY-CRJMXQGDSA-N 0 0 617.883 5.489 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229874080 572164596 /nfs/dbraw/zinc/16/45/96/572164596.db2.gz LKNSOYFFHIJVKP-CRJMXQGDSA-N 0 0 652.328 6.142 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229886140 572164997 /nfs/dbraw/zinc/16/49/97/572164997.db2.gz VTOBPQBJDYLOMN-ZJSPYRCASA-N 0 0 632.308 5.590 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000229933511 572171238 /nfs/dbraw/zinc/17/12/38/572171238.db2.gz CDVSWBGQMNVOKN-UYDITSSVSA-N 0 0 549.689 5.175 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000230026677 572179481 /nfs/dbraw/zinc/17/94/81/572179481.db2.gz DENDCZBQFBGATG-NQHRYMMQSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000230022089 572179772 /nfs/dbraw/zinc/17/97/72/572179772.db2.gz XMJJRARVBBLPAY-ZRJLEYOISA-N 0 0 622.615 6.372 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OCC)cc1 ZINC000230041086 572181027 /nfs/dbraw/zinc/18/10/27/572181027.db2.gz FRCBYUUYHAFMRP-JWZKTCGFSA-N 0 0 533.621 5.996 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000230036126 572181139 /nfs/dbraw/zinc/18/11/39/572181139.db2.gz WLPDTSDGFIQIHW-LIKDZFNVSA-N 0 0 619.671 5.631 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@H]21 ZINC000230137043 572184589 /nfs/dbraw/zinc/18/45/89/572184589.db2.gz MMXGNNJKWGPYJK-BSVVFNILSA-N 0 0 585.489 6.478 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000230204168 572185543 /nfs/dbraw/zinc/18/55/43/572185543.db2.gz LXZXHMCNMUUBHI-UQCRZPQQSA-N 0 0 528.483 7.180 50 30 KKEARN C=CCOc1ccc([C@]2(O)NC(=S)N[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)[C@]2(O)C(F)(F)F)cc1 ZINC000238899409 572189099 /nfs/dbraw/zinc/18/90/99/572189099.db2.gz GHXXSKXJBNWWDS-YMPZKCBVSA-N 0 0 559.393 5.476 50 30 KKEARN CCOC(=O)c1c2c(sc1N=Cc1cc(Br)c([O-])c(Br)c1O)CCCC2 ZINC000242614851 572198730 /nfs/dbraw/zinc/19/87/30/572198730.db2.gz PKJIWSJIPHXNDV-UHFFFAOYSA-N 0 0 503.212 5.490 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc3ccccc3c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245228684 572205230 /nfs/dbraw/zinc/20/52/30/572205230.db2.gz CEZWFUSDFUFGIB-OJBKVSPUSA-N 0 0 753.509 10.948 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1ccc(C)cc1 ZINC000245228837 572205714 /nfs/dbraw/zinc/20/57/14/572205714.db2.gz GRTPIHHHRMATFQ-HGXKFURISA-N 0 0 657.810 9.341 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(OC)c2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000245228785 572205802 /nfs/dbraw/zinc/20/58/02/572205802.db2.gz FNECHBRPZNHWQK-ZQBSIFDSSA-N 0 0 589.688 6.435 50 30 KKEARN C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@@H](CN(C[C@H]4C(=O)O[C@H]5C[C@@]6(C)CCCC(=C)[C@H]6C[C@H]45)OC(C)=O)[C@H]3C[C@@H]12 ZINC000245237945 572211545 /nfs/dbraw/zinc/21/15/45/572211545.db2.gz MCCXNEZASUGBKE-QUEULNQTSA-N 0 0 539.713 5.395 50 30 KKEARN O=C(/C=C/c1ccccc1)c1ccc(OC[C@@H](O)COc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 ZINC000245239346 572212678 /nfs/dbraw/zinc/21/26/78/572212678.db2.gz IBKMCILNGFJQRC-GRNXNNDMSA-N 0 0 504.582 6.298 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 ZINC000245247807 572221176 /nfs/dbraw/zinc/22/11/76/572221176.db2.gz XSZSFZKPYAXJIB-TXQUNOLYSA-N 0 0 557.444 5.781 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3N[C@H](c3ccco3)C[C@H]4C(F)(F)F)sc2C1 ZINC000245380804 572240476 /nfs/dbraw/zinc/24/04/76/572240476.db2.gz MXHYGXUGTTZXIA-VOWSPCBNSA-N 0 0 517.577 6.473 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(OC)cc2)N2C=Cc3ccccc3[C@H]2[C@@]12c1ccccc1NC2=O ZINC000248153327 572255703 /nfs/dbraw/zinc/25/57/03/572255703.db2.gz XQCJEMARDAQIGG-BRQNREJHSA-N 0 0 582.656 6.242 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12 ZINC000248256979 572257331 /nfs/dbraw/zinc/25/73/31/572257331.db2.gz LECFLFJCNVVCCI-CHUBOXNKSA-N 0 0 590.761 9.322 50 30 KKEARN C(=Nc1ccc(C2(c3ccc(N=Cc4cccs4)cc3)c3ccccc3-c3ccccc32)cc1)c1cccs1 ZINC000252460918 572261244 /nfs/dbraw/zinc/26/12/44/572261244.db2.gz JEMKDUSHYLLRDG-UHFFFAOYSA-N 0 0 536.725 9.674 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000252588397 572266372 /nfs/dbraw/zinc/26/63/72/572266372.db2.gz ABYDHYOKWNFNCQ-VASVRFFCSA-N 0 0 505.434 5.879 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1O ZINC000252589182 572266447 /nfs/dbraw/zinc/26/64/47/572266447.db2.gz AHZJRNIDVPQIAP-WJQQQHEKSA-N 0 0 588.321 7.351 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1 ZINC000252588627 572266461 /nfs/dbraw/zinc/26/64/61/572266461.db2.gz ACZOJDSSONXVNU-PIGLOVQCSA-N 0 0 526.652 7.450 50 30 KKEARN Cc1ccc(S(=O)(=O)N=S2N(c3ccccc3)C(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 ZINC000252591364 572266583 /nfs/dbraw/zinc/26/65/83/572266583.db2.gz BAMCFMNBBKIFOV-UHFFFAOYSA-N 0 0 589.746 7.803 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2cccc(-c3nc4ccccc4s3)c2)c1O ZINC000252590908 572266597 /nfs/dbraw/zinc/26/65/97/572266597.db2.gz AXDDZLMIUOTYRP-UHFFFAOYSA-N 0 0 532.257 7.343 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1O ZINC000252594310 572266789 /nfs/dbraw/zinc/26/67/89/572266789.db2.gz BQQLPUUHZMNWLZ-UHFFFAOYSA-N 0 0 518.205 6.237 50 30 KKEARN Cc1ccc(NC(=N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(=N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)Nc2ccc(C)cc2)cc1 ZINC000252595007 572266935 /nfs/dbraw/zinc/26/69/35/572266935.db2.gz BXDOCGKLOGOSEV-CJQMYPRTSA-N 0 0 542.856 9.164 50 30 KKEARN CCOC(=O)c1ccc(N=C2SC(=NN=Cc3ccc(OC)c(OC)c3)N(c3ccccc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000252596325 572267016 /nfs/dbraw/zinc/26/70/16/572267016.db2.gz CIJRUQKADVSXNF-UHFFFAOYSA-N 0 0 663.756 7.461 50 30 KKEARN Cc1ccc(N=C2S/C(=C3\c4cc(Br)ccc4N(C)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252596300 572267037 /nfs/dbraw/zinc/26/70/37/572267037.db2.gz CIAWJCOYJNNNEP-KUSAKTOESA-N 0 0 546.490 6.838 50 30 KKEARN O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252595717 572267058 /nfs/dbraw/zinc/26/70/58/572267058.db2.gz CCZPERFJHLSTTP-ZEMOMRGTSA-N 0 0 507.590 7.226 50 30 KKEARN CCOc1cc(C=Nn2cnnc2)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000252596082 572267059 /nfs/dbraw/zinc/26/70/59/572267059.db2.gz CGWUBXZDPGBHCV-UHFFFAOYSA-N 0 0 513.436 5.827 50 30 KKEARN CCCCN(CCCC)c1nc(=NN=Cc2cc([N+](=O)[O-])ccc2OC)nc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000252597011 572267068 /nfs/dbraw/zinc/26/70/68/572267068.db2.gz CNPSDLPQOXDCAB-UHFFFAOYSA-N 0 0 537.581 5.293 50 30 KKEARN Cc1ccccc1Nc1nc(N=NCc2c3ccccc3cc3ccccc32)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252597747 572267158 /nfs/dbraw/zinc/26/71/58/572267158.db2.gz CUUUXRGNBGGZEK-UHFFFAOYSA-N 0 0 540.587 7.328 50 30 KKEARN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000252598935 572267256 /nfs/dbraw/zinc/26/72/56/572267256.db2.gz DEWOPRZYAAUREL-UHFFFAOYSA-N 0 0 520.678 5.209 50 30 KKEARN CCOC(=O)COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000252598759 572267269 /nfs/dbraw/zinc/26/72/69/572267269.db2.gz DDIGCTXKMPPVQD-KFEXUMGBSA-N 0 0 541.423 5.788 50 30 KKEARN Cc1ccc(C)c(N=C2S/C(=C/c3cc(O)ccc3Br)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252599265 572267305 /nfs/dbraw/zinc/26/73/05/572267305.db2.gz DHTGRNBYJWOWRY-NUQYHMEBSA-N 0 0 507.453 7.197 50 30 KKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(OC(=O)c5cccc(Br)c5)cc4)ccc3o2)cc1 ZINC000252600922 572267387 /nfs/dbraw/zinc/26/73/87/572267387.db2.gz DVXCFOYAHFXVFI-UHFFFAOYSA-N 0 0 527.374 7.236 50 30 KKEARN O=C(Cn1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000252603181 572267531 /nfs/dbraw/zinc/26/75/31/572267531.db2.gz FONAFWZOCDJCJN-UHFFFAOYSA-N 0 0 650.212 6.956 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 ZINC000252602942 572267545 /nfs/dbraw/zinc/26/75/45/572267545.db2.gz FMQOZTAZIUUOHL-DAVZBEIMSA-N 0 0 505.571 5.094 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Br)cc(I)c2O)SC1=Nc1ccccc1 ZINC000252603910 572267625 /nfs/dbraw/zinc/26/76/25/572267625.db2.gz FUHMMECVYBZMJU-BTWTVLLVSA-N 0 0 559.223 5.010 50 30 KKEARN CC(C)(c1ccc(Oc2ccc(N=Cc3c(O)ccc4ccccc43)cc2)cc1)c1cccc(Oc2ccc(N=Cc3c(O)ccc4ccccc43)cc2)c1 ZINC000252603738 572267693 /nfs/dbraw/zinc/26/76/93/572267693.db2.gz FTLJKKGLGPOMMD-UHFFFAOYSA-N 0 0 718.853 12.816 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc(C)cc1 ZINC000252603465 572267711 /nfs/dbraw/zinc/26/77/11/572267711.db2.gz FRWSQHBOPPPKBM-MJDICOHGSA-N 0 0 507.703 7.830 50 30 KKEARN CCCC[C@@H]1SC(=NN=Cc2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O ZINC000252607023 572267885 /nfs/dbraw/zinc/26/78/85/572267885.db2.gz GXPBRVXJTCFUET-DEOSSOPVSA-N 0 0 525.652 5.118 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1OCC ZINC000252608682 572268075 /nfs/dbraw/zinc/26/80/75/572268075.db2.gz HMSLZYMIJYJEAR-RQZNDXHPSA-N 0 0 591.480 5.200 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000252608354 572268095 /nfs/dbraw/zinc/26/80/95/572268095.db2.gz HJRRSYWGRXYPME-QTWKZHRCSA-N 0 0 597.180 9.360 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000252611896 572268342 /nfs/dbraw/zinc/26/83/42/572268342.db2.gz INYVRIUTAXZTLF-GLKJRODOSA-N 0 0 509.027 6.178 50 30 KKEARN COc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(OC)c4O)ccc3o2)cc1Br ZINC000252613698 572268443 /nfs/dbraw/zinc/26/84/43/572268443.db2.gz JCUQINYPKHBVEM-UHFFFAOYSA-N 0 0 532.188 6.493 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252614970 572268646 /nfs/dbraw/zinc/26/86/46/572268646.db2.gz JOIMRAYAVVQWJV-BSXLOGAWSA-N 0 0 615.824 9.333 50 30 KKEARN Cc1cccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCC(C)CC3)n2)c1C ZINC000252616629 572268668 /nfs/dbraw/zinc/26/86/68/572268668.db2.gz KCGLRXRRTPXRLJ-UHFFFAOYSA-N 0 0 516.049 6.828 50 30 KKEARN CCCCCCCCCCOc1ccc(N=CC=Nc2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000252615818 572268680 /nfs/dbraw/zinc/26/86/80/572268680.db2.gz JVIRGIUFUXFZCR-UHFFFAOYSA-N 0 0 520.802 10.830 50 30 KKEARN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000252615644 572268743 /nfs/dbraw/zinc/26/87/43/572268743.db2.gz JUFALTDOXHTDQY-UHFFFAOYSA-N 0 0 554.070 5.678 50 30 KKEARN Fc1ccccc1COc1ccccc1C=Nc1ccc(-c2ccc(N=Cc3ccccc3OCc3ccccc3F)cc2)cc1 ZINC000252615837 572268744 /nfs/dbraw/zinc/26/87/44/572268744.db2.gz JVRXGFRQFBWHJN-UHFFFAOYSA-N 0 0 608.688 10.291 50 30 KKEARN Brc1ccc(/C=C\C=Nc2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1 ZINC000252617590 572268943 /nfs/dbraw/zinc/26/89/43/572268943.db2.gz KWPVMIMOKHHYDL-MENJHMOASA-N 0 0 529.175 7.278 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)SC1=Nc1ccc(OC)cc1 ZINC000252617241 572269006 /nfs/dbraw/zinc/26/90/06/572269006.db2.gz KPCHOAUDCRXJNB-CYNRLTQQSA-N 0 0 537.479 6.969 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000252618853 572269148 /nfs/dbraw/zinc/26/91/48/572269148.db2.gz LKHCVPDTDJKSJV-FKMRTPQPSA-N 0 0 553.478 6.287 50 30 KKEARN C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000252619870 572269265 /nfs/dbraw/zinc/26/92/65/572269265.db2.gz LTIKXEJUGTXCBY-FWYYITFYSA-N 0 0 605.543 8.707 50 30 KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000252620068 572269266 /nfs/dbraw/zinc/26/92/66/572269266.db2.gz LWZRKGBTJMHBDJ-WRCHOWETSA-N 0 0 604.913 7.950 50 30 KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000252620067 572269271 /nfs/dbraw/zinc/26/92/71/572269271.db2.gz LWZRKGBTJMHBDJ-GXERTZKPSA-N 0 0 604.913 7.950 50 30 KKEARN Cc1ccc(C)c(N=C2S/C(=C\c3cc4c(cc3Br)OCO4)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252620176 572269366 /nfs/dbraw/zinc/26/93/66/572269366.db2.gz LYXGNSDEOMXWGR-JIZUAKBVSA-N 0 0 535.463 7.220 50 30 KKEARN CCCCCOc1ccc(N=C2c3ccccc3N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000252620477 572269428 /nfs/dbraw/zinc/26/94/28/572269428.db2.gz MEUVEOHMCOYJBZ-UHFFFAOYSA-N 0 0 527.625 5.411 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Br ZINC000252620912 572269501 /nfs/dbraw/zinc/26/95/01/572269501.db2.gz MPADQZKJXJEYGX-ZQFCNSAKSA-N 0 0 550.272 5.474 50 30 KKEARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(N=Nc1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000252620809 572269562 /nfs/dbraw/zinc/26/95/62/572269562.db2.gz MMKPBHYDMMSDLH-SFHVURJKSA-N 0 0 508.855 6.032 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O ZINC000252621663 572269670 /nfs/dbraw/zinc/26/96/70/572269670.db2.gz NEBBVRCWPHVIIE-LGSKZASQSA-N 0 0 551.506 7.487 50 30 KKEARN O=C1/C(=C\c2cc(Br)c(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252621954 572269679 /nfs/dbraw/zinc/26/96/79/572269679.db2.gz NLEQBOBHANEZST-MJEQIIAOSA-N 0 0 504.203 6.613 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3/c4cc(C)ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252623167 572269894 /nfs/dbraw/zinc/26/98/94/572269894.db2.gz OLLPEKCCZCDMGL-ZCNCKGOUSA-N 0 0 569.639 5.504 50 30 KKEARN Cc1cc(Br)c(O)c(C=Nc2ccc(-c3ccc(N=Cc4cc(C)cc(Br)c4O)c(C)c3)cc2C)c1 ZINC000252622656 572269914 /nfs/dbraw/zinc/26/99/14/572269914.db2.gz NZTLDGSTIMQBJC-UHFFFAOYSA-N 0 0 606.358 9.025 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cc(I)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000252623437 572270023 /nfs/dbraw/zinc/27/00/23/572270023.db2.gz ORJXHZPMXHECMQ-CIOOEQDQSA-N 0 0 538.407 5.274 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(N=Cc4cc(Br)ccc4O)cc3s2)cc1OC ZINC000252624373 572270179 /nfs/dbraw/zinc/27/01/79/572270179.db2.gz PMUCOZSXLIQPOD-UHFFFAOYSA-N 0 0 586.533 5.983 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)cc3s2)c(C)c1 ZINC000252624694 572270243 /nfs/dbraw/zinc/27/02/43/572270243.db2.gz PSXZKXBRZGGABO-FQEVSTJZSA-N 0 0 560.144 9.005 50 30 KKEARN CCSC(N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc(F)cc1)=Nc1ccccc1 ZINC000252624956 572270289 /nfs/dbraw/zinc/27/02/89/572270289.db2.gz PZAFNIVIIXWTAI-UHFFFAOYSA-N 0 0 537.689 8.636 50 30 KKEARN CCOC(=O)c1ccc(N=C2SC(=NN=Cc3ccccc3O)N(c3ccccc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000252624656 572270302 /nfs/dbraw/zinc/27/03/02/572270302.db2.gz PSNVMQFRBPBWSI-UHFFFAOYSA-N 0 0 619.703 7.149 50 30 KKEARN O=[N+]([O-])c1cccc(CN=Nc2nc(Nc3cccc4ccccc43)nc(N(c3ccccc3)c3ccccc3)n2)c1 ZINC000252625294 572270352 /nfs/dbraw/zinc/27/03/52/572270352.db2.gz QGVCFJCFJFRLBI-UHFFFAOYSA-N 0 0 552.598 7.592 50 30 KKEARN c1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1cccc2ccccc21 ZINC000252625609 572270384 /nfs/dbraw/zinc/27/03/84/572270384.db2.gz QNOQXXSQSYILOY-UHFFFAOYSA-N 0 0 544.707 6.454 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000252626220 572270516 /nfs/dbraw/zinc/27/05/16/572270516.db2.gz QYPSIWBBAILGPA-TUDBGTMHSA-N 0 0 521.739 6.269 50 30 KKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)SC1=Nc1cccc(C(F)(F)F)c1 ZINC000252626739 572270632 /nfs/dbraw/zinc/27/06/32/572270632.db2.gz RETRDHXBWASZAM-KRWDZBQOSA-N 0 0 502.345 6.159 50 30 KKEARN Cc1ccccc1OCCn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21 ZINC000252626772 572270654 /nfs/dbraw/zinc/27/06/54/572270654.db2.gz RFLJPVNKGNAHFO-UHFFFAOYSA-N 0 0 538.700 5.640 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2cccc(Br)c2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252627229 572270662 /nfs/dbraw/zinc/27/06/62/572270662.db2.gz RPHAATKHABHPFC-UHFFFAOYSA-N 0 0 541.454 6.139 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1ccc(F)cc1F ZINC000252626599 572270676 /nfs/dbraw/zinc/27/06/76/572270676.db2.gz RBVUIWVCLSYSBF-AMBSETBHSA-N 0 0 544.642 7.589 50 30 KKEARN CCOc1ccc(C2=C(C=Nc3ccc(NC(C)=O)cc3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000252627184 572270695 /nfs/dbraw/zinc/27/06/95/572270695.db2.gz ROLIDKOHCIYPMJ-WJOKGBTCSA-N 0 0 506.577 7.521 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C2CCCCC2)cc1 ZINC000252626625 572270698 /nfs/dbraw/zinc/27/06/98/572270698.db2.gz RCIFZIRRJDCQJW-ZQWONFHDSA-N 0 0 501.608 7.354 50 30 KKEARN CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000252628579 572270886 /nfs/dbraw/zinc/27/08/86/572270886.db2.gz STHUIPBLMXDGCD-UHFFFAOYSA-N 0 0 506.183 7.419 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2c(Cl)cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2Cl)cc1 ZINC000252628065 572270908 /nfs/dbraw/zinc/27/09/08/572270908.db2.gz SHLUOUHAIORGRI-UHFFFAOYSA-N 0 0 598.579 6.580 50 30 KKEARN Cc1cc(C)n(-c2nc(N=NCc3ccccc3OCc3ccccc3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000252628760 572271037 /nfs/dbraw/zinc/27/10/37/572271037.db2.gz SXFIYRRVHIYFMJ-UHFFFAOYSA-N 0 0 504.598 5.751 50 30 KKEARN Cc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc(N3CCOCC3)[nH]2)c(Br)c1 ZINC000252628737 572271051 /nfs/dbraw/zinc/27/10/51/572271051.db2.gz SWNPBCRWJKWZDR-UHFFFAOYSA-N 0 0 613.860 5.790 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000252630179 572271231 /nfs/dbraw/zinc/27/12/31/572271231.db2.gz UWPABDBSYCOIIQ-PBKAENSPSA-N 0 0 512.609 6.211 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3/c4cc([N+](=O)[O-])ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252630696 572271403 /nfs/dbraw/zinc/27/14/03/572271403.db2.gz VDMVUZPMOJHTEU-BEKNZLNVSA-N 0 0 600.609 5.103 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252631840 572271477 /nfs/dbraw/zinc/27/14/77/572271477.db2.gz VMYWIWRIKFJHAM-RCQMCOAFSA-N 0 0 642.344 8.327 50 30 KKEARN CCOC(=O)c1cc(-c2ccc(C=NN=Cc3ccc(-c4ccc(Cl)c(C(=O)OCC)c4)o3)o2)ccc1Cl ZINC000252631776 572271499 /nfs/dbraw/zinc/27/14/99/572271499.db2.gz VMFYZTWIKAIEPP-UHFFFAOYSA-N 0 0 553.398 7.320 50 30 KKEARN CCOC(=O)C1=NN(c2ccccc2)/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)S1 ZINC000252632042 572271593 /nfs/dbraw/zinc/27/15/93/572271593.db2.gz VOZJDNSORRPDCP-LKOACKLQSA-N 0 0 500.605 5.753 50 30 KKEARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C=Nc3ccc(C)cc3C)c3ccccc3C2c2ccccc21 ZINC000252633570 572271622 /nfs/dbraw/zinc/27/16/22/572271622.db2.gz WEHRXEJTYQXHOW-YRDRHQBFSA-N 0 0 526.636 6.655 50 30 KKEARN COc1ccc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000252635202 572271712 /nfs/dbraw/zinc/27/17/12/572271712.db2.gz WVCILFDQSDETJC-UHFFFAOYSA-N 0 0 581.464 5.575 50 30 KKEARN 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/nfs/dbraw/zinc/83/03/58/1072830358.db2.gz BURYFFRDICPOEP-HSZRJFAPSA-N 0 0 533.629 6.018 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000095100481 1072832739 /nfs/dbraw/zinc/83/27/39/1072832739.db2.gz FOHBKEGDBOPXFE-DGCLKSJQSA-N 0 0 643.246 6.674 50 30 KKEARN O=C(Nc1ccc(F)c(Cl)c1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100604 1072832884 /nfs/dbraw/zinc/83/28/84/1072832884.db2.gz GWNLBHRIBKZTPP-PSASIEDQSA-N 0 0 623.618 7.290 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)CC/C1=C/c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000096022753 1072833749 /nfs/dbraw/zinc/83/37/49/1072833749.db2.gz MYKSZEJXHJKGQR-YNXSKVROSA-N 0 0 662.882 8.614 50 30 KKEARN CCOc1cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000097658466 1072835581 /nfs/dbraw/zinc/83/55/81/1072835581.db2.gz BYGYJIRJJIYJHF-UEOBAOCASA-N 0 0 518.541 5.137 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097969721 1072836827 /nfs/dbraw/zinc/83/68/27/1072836827.db2.gz VMNCWBIHMALKFE-XIFFEERXSA-N 0 0 577.806 9.072 50 30 KKEARN O=C(/C=C\c1ccccc1)Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000097994672 1072841540 /nfs/dbraw/zinc/84/15/40/1072841540.db2.gz GEVACSOQZJAOHD-UUASQNMZSA-N 0 0 511.393 6.655 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN3CCN(c4ccc(C)cc4)CC3)=C2N2CCOCC2)cc1 ZINC000254291155 1072843812 /nfs/dbraw/zinc/84/38/12/1072843812.db2.gz VNVQYRLFJQKVAW-NDNOUAQPSA-N 0 0 513.730 5.413 50 30 KKEARN O=C1COc2ccc(-c3csc(=NCCc4ccccc4)n3N=Cc3ccc4ncccc4c3)cc2N1 ZINC000254291541 1072844207 /nfs/dbraw/zinc/84/42/07/1072844207.db2.gz DYUQWIOWTBTNEJ-UHFFFAOYSA-N 0 0 505.603 5.121 50 30 KKEARN C[C@H]1N(C)c2ccc(C=Nc3ccc(C4(c5ccc(N=Cc6ccc7c(c6)C(C)(C)[C@@H](C)N7C)cc5)CCCCC4)cc3)cc2C1(C)C ZINC000254382704 1072850547 /nfs/dbraw/zinc/85/05/47/1072850547.db2.gz VOKLOUMOMZRSIM-FIRIVFDPSA-N 0 0 636.928 10.670 50 30 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IDLPDKUTIOLPDF-UHFFFAOYSA-N 0 0 588.664 5.049 50 30 KKEARN O=c1c2c(ncn1N=Cc1ccccc1OC(F)F)sc(Sc1ccccc1[N+](=O)[O-])c2-c1ccccc1 ZINC000254634934 1072869182 /nfs/dbraw/zinc/86/91/82/1072869182.db2.gz VKAOMFOKNJIOBF-UHFFFAOYSA-N 0 0 550.568 6.668 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1C=NN1CCN(c2ccccn2)CC1 ZINC000254706843 1072871930 /nfs/dbraw/zinc/87/19/30/1072871930.db2.gz DBJKCDXTTLQDDA-UHFFFAOYSA-N 0 0 511.680 5.493 50 30 KKEARN CCN(CCO)c1ccc(N=Nc2ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc2S(=O)(=O)OCC(F)(F)C(F)F)cc1 ZINC000254737758 1072873997 /nfs/dbraw/zinc/87/39/97/1072873997.db2.gz OLHLSFKOMGPQDN-UHFFFAOYSA-N 0 0 657.558 5.132 50 30 KKEARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1N=Cc1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000254760933 1072877301 /nfs/dbraw/zinc/87/73/01/1072877301.db2.gz DSWUGRXIDRSPPB-UHFFFAOYSA-N 0 0 592.765 6.915 50 30 KKEARN Cc1ccc(-c2csc(=NCc3ccccc3)n2N=C2c3ccccc3N(Cc3ccccc3)C2=O)cc1C ZINC000254764746 1072878073 /nfs/dbraw/zinc/87/80/73/1072878073.db2.gz WCDHQXYUVXBHMR-UHFFFAOYSA-N 0 0 528.681 6.734 50 30 KKEARN CC(=Nn1c(-c2cccs2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc2c(c1)OCCO2 ZINC000254796095 1072879890 /nfs/dbraw/zinc/87/98/90/1072879890.db2.gz WVRKLNVCIIELKK-UHFFFAOYSA-N 0 0 543.674 5.352 50 30 KKEARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CON=CC(=O)Nc2ccccc2OC)cc1 ZINC000254799224 1072880012 /nfs/dbraw/zinc/88/00/12/1072880012.db2.gz VYUKXYIOAMMIGW-MUUNZHRXSA-N 0 0 536.588 5.176 50 30 KKEARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCCSC3=Nc3ccccc3)c12 ZINC000254866375 1072885877 /nfs/dbraw/zinc/88/58/77/1072885877.db2.gz IDHLJIGMFZRZTE-UHFFFAOYSA-N 0 0 509.660 6.724 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)=C2N2CCOCC2)cc1 ZINC000254867681 1072886314 /nfs/dbraw/zinc/88/63/14/1072886314.db2.gz DFRMGDKAILUADU-ASMAJLBXSA-N 0 0 590.740 7.976 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(Br)c3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000001057453 1072889387 /nfs/dbraw/zinc/88/93/87/1072889387.db2.gz ZUVLWCQARMCGPA-NXCFDTQHSA-N 0 0 510.391 5.742 50 30 KKEARN O=C(OCC(F)(F)[C@@]1(F)C(F)(F)OC(F)(F)C1(F)F)c1ccc(C(=O)OCC(F)(F)[C@@]2(F)C(F)(F)OC(F)(F)C2(F)F)cc1 ZINC000150406135 1072902255 /nfs/dbraw/zinc/90/22/55/1072902255.db2.gz NLVYXUMQSZIVAV-KBPBESRZSA-N 0 0 686.242 6.390 50 30 KKEARN CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc(NC(=O)c4cccc(NC(=O)C(C)(C)C)c4)cc3)cc2)cc1 ZINC000150424086 1072902964 /nfs/dbraw/zinc/90/29/64/1072902964.db2.gz SUTMAJSGAUMCNE-FSJBWODESA-N 0 0 644.772 8.057 50 30 KKEARN CNc1nc(-c2ccc(OC)c(NC3=CC(=O)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)[C@H](C)C3)c2)cs1 ZINC000604403913 1072919429 /nfs/dbraw/zinc/91/94/29/1072919429.db2.gz DHTGDTSITXBMTF-QWVSSGJLSA-N 0 0 556.040 5.450 50 30 KKEARN CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H](/C(C)=C/C(C)C)[C@H]1C ZINC000936069370 1072919806 /nfs/dbraw/zinc/91/98/06/1072919806.db2.gz YZBLFMPOMVTDJY-LIULNNQGSA-N 0 0 639.830 5.729 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2OC(C)C)cc1OC ZINC000000647870 193864502 /nfs/dbraw/zinc/86/45/02/193864502.db2.gz NMKLHNULNAUQMP-KCWXNJEJSA-N 0 0 519.638 5.804 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000000648503 193865531 /nfs/dbraw/zinc/86/55/31/193865531.db2.gz QOQNXGSQJPORBG-QHCPKHFHSA-N 0 0 500.389 5.398 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000648946 193866130 /nfs/dbraw/zinc/86/61/30/193866130.db2.gz JGYWMZDKZHOOJK-XRHLQHRESA-N 0 0 570.480 5.788 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000000650036 193867974 /nfs/dbraw/zinc/86/79/74/193867974.db2.gz JABVDCLSPCPEHU-OOOSNSGVSA-N 0 0 567.682 6.596 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000650572 193868710 /nfs/dbraw/zinc/86/87/10/193868710.db2.gz XDRYYLOJUDFYLQ-SSEXGKCCSA-N 0 0 524.617 5.889 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c2C#N)cc1 ZINC000006245815 193877150 /nfs/dbraw/zinc/87/71/50/193877150.db2.gz RNEGBGIOONHZJS-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000006245971 193877200 /nfs/dbraw/zinc/87/72/00/193877200.db2.gz MTPNMFBCOLYOIW-UHFFFAOYSA-N 0 0 520.057 8.133 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019535366 193882785 /nfs/dbraw/zinc/88/27/85/193882785.db2.gz FIWNUQUWVLKSTC-SSEXGKCCSA-N 0 0 509.602 5.986 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000019770357 193884008 /nfs/dbraw/zinc/88/40/08/193884008.db2.gz LOZMCCCAIVYRCU-MUAVYFROSA-N 0 0 531.649 5.600 50 30 biogenic KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000019770183 193884036 /nfs/dbraw/zinc/88/40/36/193884036.db2.gz TVIMWXDXVPZHKE-HRFSGMKKSA-N 0 0 524.013 5.587 50 30 KKEARN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000059211789 193891349 /nfs/dbraw/zinc/89/13/49/193891349.db2.gz INWKZLVDZMFHKR-UHFFFAOYSA-N 0 0 557.901 6.651 50 30 KKEARN Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000100380994 193910927 /nfs/dbraw/zinc/91/09/27/193910927.db2.gz PNIUIDOECXGXME-ROTLSHHCSA-N 0 0 574.684 5.352 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068127 291943528 /nfs/dbraw/zinc/94/35/28/291943528.db2.gz WPCIETQUBPSGIM-DLLPINGYSA-N 0 0 558.074 6.592 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004067813 291943530 /nfs/dbraw/zinc/94/35/30/291943530.db2.gz WFHOTQAGTMXRSX-GYCJOSAFSA-N 0 0 542.426 5.097 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000000630888 551504788 /nfs/dbraw/zinc/50/47/88/551504788.db2.gz NUVKTOXRCOATKA-RKOGDMNLSA-N 0 0 519.395 6.166 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000000647382 551508352 /nfs/dbraw/zinc/50/83/52/551508352.db2.gz QRMXUSYMBVBOCK-WVXBCFDCSA-N 0 0 529.633 5.858 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000000648086 551509335 /nfs/dbraw/zinc/50/93/35/551509335.db2.gz IKNPPORRVJNXHZ-MMTVBGGISA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OC)cc1OC ZINC000000648448 551509564 /nfs/dbraw/zinc/50/95/64/551509564.db2.gz YMLISNWCHOAMDR-NGOKVRLYSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000000648524 551509903 /nfs/dbraw/zinc/50/99/03/551509903.db2.gz LFKYWNLHPZNHPL-HRFSGMKKSA-N 0 0 510.030 5.918 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000000648615 551510096 /nfs/dbraw/zinc/51/00/96/551510096.db2.gz FIPWEHRDNPUBNI-DEOSSOPVSA-N 0 0 503.517 6.045 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649027 551510431 /nfs/dbraw/zinc/51/04/31/551510431.db2.gz WWKGGGGURIWANS-QUGAMOGWSA-N 0 0 586.479 5.408 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649021 551510485 /nfs/dbraw/zinc/51/04/85/551510485.db2.gz WWKGGGGURIWANS-QLXKLKPCSA-N 0 0 586.479 5.408 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000649070 551510711 /nfs/dbraw/zinc/51/07/11/551510711.db2.gz IUMLMLHBGSYXPO-QNLPTKCRSA-N 0 0 553.655 6.208 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649382 551511015 /nfs/dbraw/zinc/51/10/15/551511015.db2.gz MDHBOHVDJGXQQN-VWLOTQADSA-N 0 0 540.454 5.814 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649537 551511263 /nfs/dbraw/zinc/51/12/63/551511263.db2.gz RKIAZOCCMCNHML-SONOPUAISA-N 0 0 596.518 6.322 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649720 551511365 /nfs/dbraw/zinc/51/13/65/551511365.db2.gz YRBVPSYWFFDXNB-QNLPTKCRSA-N 0 0 569.654 5.566 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649588 551511375 /nfs/dbraw/zinc/51/13/75/551511375.db2.gz FYRANPVDNAPQRM-JRPXNJEYSA-N 0 0 547.648 5.656 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000000650018 551511679 /nfs/dbraw/zinc/51/16/79/551511679.db2.gz BEWKAZPXRCNMTA-CRYYWNKWSA-N 0 0 586.479 5.408 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000000649878 551511684 /nfs/dbraw/zinc/51/16/84/551511684.db2.gz RDDLGKKHOCSNCD-CYBMUJFWSA-N 0 0 513.545 6.345 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000650214 551511851 /nfs/dbraw/zinc/51/18/51/551511851.db2.gz PBEXXAINDIIADU-XJFCNFDWSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650044 551511890 /nfs/dbraw/zinc/51/18/90/551511890.db2.gz OVAJSYMFHOUOGF-YKGWIAGDSA-N 0 0 563.647 5.199 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000000650151 551511936 /nfs/dbraw/zinc/51/19/36/551511936.db2.gz JGEAEKLDCMYPBT-KCWXNJEJSA-N 0 0 517.622 5.647 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000000659220 551514842 /nfs/dbraw/zinc/51/48/42/551514842.db2.gz ZJHCYXHTUPLJTJ-IZHWHUGBSA-N 0 0 544.829 5.756 50 30 KKEARN CCOc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000000660441 551516042 /nfs/dbraw/zinc/51/60/42/551516042.db2.gz MCAHCBKTHQQMQV-XKZIYDEJSA-N 0 0 518.367 5.396 50 30 KKEARN Cc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)c2)c1 ZINC000000665642 551516965 /nfs/dbraw/zinc/51/69/65/551516965.db2.gz TWAGNZLAOASQDT-UHFFFAOYSA-N 0 0 513.634 6.413 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665749 551517184 /nfs/dbraw/zinc/51/71/84/551517184.db2.gz SDVKDXVWTLGXQA-UHFFFAOYSA-N 0 0 583.512 6.761 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000000665727 551517196 /nfs/dbraw/zinc/51/71/96/551517196.db2.gz DJNRBBWNZFYUQO-UHFFFAOYSA-N 0 0 580.475 6.302 50 30 KKEARN O=C(COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Br)Nc1ccccc1 ZINC000000665737 551517204 /nfs/dbraw/zinc/51/72/04/551517204.db2.gz MDKZUAWHADSQED-UHFFFAOYSA-N 0 0 522.395 5.595 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000000665686 551517206 /nfs/dbraw/zinc/51/72/06/551517206.db2.gz LIQVMFIXLQVPFC-UHFFFAOYSA-N 0 0 577.121 6.648 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000000665817 551517467 /nfs/dbraw/zinc/51/74/67/551517467.db2.gz ACRCEGBPXIGZIL-UHFFFAOYSA-N 0 0 525.432 6.020 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Br)cc2C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000000665804 551517478 /nfs/dbraw/zinc/51/74/78/551517478.db2.gz QBLUZRIYGWUNDO-UHFFFAOYSA-N 0 0 569.883 6.129 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000000666952 551517964 /nfs/dbraw/zinc/51/79/64/551517964.db2.gz OFLICNMJLQEELX-GKVSMKOHSA-N 0 0 574.899 6.378 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000000667018 551517969 /nfs/dbraw/zinc/51/79/69/551517969.db2.gz HARPXAFXNFTIHE-XHCCPWGMSA-N 0 0 554.481 6.027 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000668232 551518165 /nfs/dbraw/zinc/51/81/65/551518165.db2.gz VHXAOBMYKVBQTF-DEOSSOPVSA-N 0 0 525.483 6.560 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 ZINC000000668859 551518465 /nfs/dbraw/zinc/51/84/65/551518465.db2.gz WSCJHHWDWBASHR-NDEPHWFRSA-N 0 0 527.596 5.723 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000000672218 551519416 /nfs/dbraw/zinc/51/94/16/551519416.db2.gz IJBJLRXIGQWDIZ-UVMFRMCBSA-N 0 0 514.625 7.186 50 30 KKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(-c3cccc(Cl)c3)o2)nc1 ZINC000000673515 551520101 /nfs/dbraw/zinc/52/01/01/551520101.db2.gz ODHGYZDTDPZVDB-HHHXNRCGSA-N 0 0 502.014 6.546 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000000673626 551520142 /nfs/dbraw/zinc/52/01/42/551520142.db2.gz KBCCLLGOLPZJJB-AREMUKBSSA-N 0 0 510.030 6.095 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000674203 551520916 /nfs/dbraw/zinc/52/09/16/551520916.db2.gz FJUMWPFHGOCJKP-ACSYHNTCSA-N 0 0 513.550 5.533 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1I ZINC000000675604 551522106 /nfs/dbraw/zinc/52/21/06/551522106.db2.gz RWWVIOJDMMTNCW-UZUQRXQVSA-N 0 0 513.375 5.216 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678660 551522576 /nfs/dbraw/zinc/52/25/76/551522576.db2.gz DZAIEBWDPSUVHC-WHLCRQNOSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000000678643 551522597 /nfs/dbraw/zinc/52/25/97/551522597.db2.gz NENBLLUQTAYDHB-PIIWDFAUSA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678669 551522632 /nfs/dbraw/zinc/52/26/32/551522632.db2.gz DZAIEBWDPSUVHC-HMILPKGGSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000000678866 551522672 /nfs/dbraw/zinc/52/26/72/551522672.db2.gz JUORSNZWLMWSCP-SIBVEZHUSA-N 0 0 540.454 5.780 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678752 551522674 /nfs/dbraw/zinc/52/26/74/551522674.db2.gz GISNPUPTIGBRPU-OLILMLBXSA-N 0 0 547.648 5.568 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000000678849 551522737 /nfs/dbraw/zinc/52/27/37/551522737.db2.gz CAGHNGXGJJFQLW-IQGLISFBSA-N 0 0 526.427 5.391 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000000678946 551523050 /nfs/dbraw/zinc/52/30/50/551523050.db2.gz LFDSEDMZGOBEPC-VOIUYBSRSA-N 0 0 512.400 5.001 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000679042 551523063 /nfs/dbraw/zinc/52/30/63/551523063.db2.gz TVLKHBHGDUHJNK-RCRUUEGKSA-N 0 0 525.601 6.031 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678915 551523087 /nfs/dbraw/zinc/52/30/87/551523087.db2.gz QCYLAORSNUMQFK-WINIVTDRSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678925 551523091 /nfs/dbraw/zinc/52/30/91/551523091.db2.gz QCYLAORSNUMQFK-PPHZAIPVSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OC)cc1OC ZINC000000679060 551523223 /nfs/dbraw/zinc/52/32/23/551523223.db2.gz RSPNSLQPABQWON-OLILMLBXSA-N 0 0 517.622 5.560 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC000000681833 551524757 /nfs/dbraw/zinc/52/47/57/551524757.db2.gz BRHZQUUPHVDNJY-CRICUBBOSA-N 0 0 541.913 6.711 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000000685670 551525831 /nfs/dbraw/zinc/52/58/31/551525831.db2.gz NRRUCRVGVRPCRQ-RBBQXQBVSA-N 0 0 523.677 6.852 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000690158 551527342 /nfs/dbraw/zinc/52/73/42/551527342.db2.gz MHQPYUJMTMQVDE-WINIVTDRSA-N 0 0 514.528 5.694 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000000702247 551529639 /nfs/dbraw/zinc/52/96/39/551529639.db2.gz PVTSTXQJIOKOPS-PMERELPUSA-N 0 0 580.637 5.773 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000702741 551529908 /nfs/dbraw/zinc/52/99/08/551529908.db2.gz LSHVXYGVMNPRSV-RSXGOPAZSA-N 0 0 503.982 5.676 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000000703008 551530180 /nfs/dbraw/zinc/53/01/80/551530180.db2.gz BXMFFONJAIGRQC-WJOKGBTCSA-N 0 0 582.653 5.321 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000702995 551530265 /nfs/dbraw/zinc/53/02/65/551530265.db2.gz WIHZESCZGYXRMB-MHZLTWQESA-N 0 0 515.562 6.238 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000000703090 551530776 /nfs/dbraw/zinc/53/07/76/551530776.db2.gz NRFBZUGEWRBMHJ-KEEVHDRGSA-N 0 0 551.595 5.969 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000703177 551530951 /nfs/dbraw/zinc/53/09/51/551530951.db2.gz ONWOSAATKMDHDT-UKPGIYTDSA-N 0 0 562.622 5.771 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000000707876 551531901 /nfs/dbraw/zinc/53/19/01/551531901.db2.gz AKAYTSNDHHNYMC-KGVVXCLESA-N 0 0 510.030 6.061 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000708170 551532077 /nfs/dbraw/zinc/53/20/77/551532077.db2.gz XZBTYVFFSUNBPD-JLCFBVMHSA-N 0 0 532.818 5.351 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1OC ZINC000000708157 551532084 /nfs/dbraw/zinc/53/20/84/551532084.db2.gz LFDPGEONEZATOG-RCRUUEGKSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708016 551532133 /nfs/dbraw/zinc/53/21/33/551532133.db2.gz CKODWWPLGXLAEV-JMQGSBJISA-N 0 0 536.024 5.925 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000000708158 551532150 /nfs/dbraw/zinc/53/21/50/551532150.db2.gz LFDPGEONEZATOG-SMSORMJASA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000000709958 551532887 /nfs/dbraw/zinc/53/28/87/551532887.db2.gz LWJVUWUMGLWPQZ-CQGGRAHPSA-N 0 0 528.992 6.443 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000000709957 551532925 /nfs/dbraw/zinc/53/29/25/551532925.db2.gz LWJVUWUMGLWPQZ-SFNQZPIRSA-N 0 0 528.992 6.443 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cs1 ZINC000000714595 551533905 /nfs/dbraw/zinc/53/39/05/551533905.db2.gz KTXDPKIQSWGRFF-OAQYLSRUSA-N 0 0 531.472 5.500 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1OC ZINC000000717209 551534634 /nfs/dbraw/zinc/53/46/34/551534634.db2.gz FXFVVTXYOXEOBY-WVDZOPJMSA-N 0 0 549.421 6.175 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000000717151 551534668 /nfs/dbraw/zinc/53/46/68/551534668.db2.gz JWGCCRBHNDZREE-HFJWLAOPSA-N 0 0 526.942 6.812 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000000717149 551534678 /nfs/dbraw/zinc/53/46/78/551534678.db2.gz JWGCCRBHNDZREE-WXTAPIANSA-N 0 0 526.942 6.812 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc1OC ZINC000000717211 551534686 /nfs/dbraw/zinc/53/46/86/551534686.db2.gz FXFVVTXYOXEOBY-OLRZCDJHSA-N 0 0 549.421 6.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(Br)c2)cc1OC ZINC000000718071 551534969 /nfs/dbraw/zinc/53/49/69/551534969.db2.gz QXFIEMVEGAQGAU-CBZJRKILSA-N 0 0 523.402 6.585 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2ccccc2Cl)cc1 ZINC000000718148 551535176 /nfs/dbraw/zinc/53/51/76/551535176.db2.gz VQMQBZHHGLPEHF-JCOAXYOVSA-N 0 0 515.053 7.295 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cccnc3)C2)cc1 ZINC000000718157 551535199 /nfs/dbraw/zinc/53/51/99/551535199.db2.gz MGPZATPNNPHAPT-NHRFMIRVSA-N 0 0 591.664 6.330 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C(F)(F)F)c1 ZINC000000718257 551535211 /nfs/dbraw/zinc/53/52/11/551535211.db2.gz OEDBYRNSMVLIRR-QYBDOPJKSA-N 0 0 526.942 6.812 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000000719679 551536088 /nfs/dbraw/zinc/53/60/88/551536088.db2.gz ZDECLTXRBDGWQX-CRYYWNKWSA-N 0 0 570.539 6.314 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000000719677 551536105 /nfs/dbraw/zinc/53/61/05/551536105.db2.gz ZDECLTXRBDGWQX-XGCWNURASA-N 0 0 570.539 6.314 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1O ZINC000000719930 551536536 /nfs/dbraw/zinc/53/65/36/551536536.db2.gz NPFSRCMXDREDAL-LBEKAKSKSA-N 0 0 516.594 5.796 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000000719939 551536560 /nfs/dbraw/zinc/53/65/60/551536560.db2.gz JDFUREILPWEIOS-QJWGWKRISA-N 0 0 558.631 6.016 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720181 551536924 /nfs/dbraw/zinc/53/69/24/551536924.db2.gz WZKAILLZMJJXPJ-XMMPIXPASA-N 0 0 538.394 5.653 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1O ZINC000000720662 551537141 /nfs/dbraw/zinc/53/71/41/551537141.db2.gz IQQYFMUEUBWVGS-JBEBIEQOSA-N 0 0 511.441 6.594 50 30 biogenic,in-vitro KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000000722078 551537820 /nfs/dbraw/zinc/53/78/20/551537820.db2.gz DKFXKBSFOABJTI-UHFFFAOYSA-N 0 0 587.499 6.683 50 30 KKEARN Cn1c2cc(Br)c(Br)cc2nc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000000727516 551538432 /nfs/dbraw/zinc/53/84/32/551538432.db2.gz ANYAOHANHVLTAY-YSURURNPSA-N 0 0 503.194 6.180 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3cc4ccccc4oc3=O)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000000728467 551538894 /nfs/dbraw/zinc/53/88/94/551538894.db2.gz VEOGDQJOIUKJCE-UHFFFAOYSA-N 0 0 561.619 6.271 50 30 aggregator KKEARN N#Cc1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000000728973 551539080 /nfs/dbraw/zinc/53/90/80/551539080.db2.gz QKSYWDVURTTYFS-UHFFFAOYSA-N 0 0 554.606 6.350 50 30 KKEARN CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000729517 551539337 /nfs/dbraw/zinc/53/93/37/551539337.db2.gz PCAASQZZIAREET-ROTAYESASA-N 0 0 527.665 6.538 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000801119 551543376 /nfs/dbraw/zinc/54/33/76/551543376.db2.gz DYNPIJUEKBZQGX-RCRUUEGKSA-N 0 0 552.583 5.471 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c2C#N)cc1 ZINC000000857405 551550719 /nfs/dbraw/zinc/55/07/19/551550719.db2.gz NSZWIPZLVZLAGC-UHFFFAOYSA-N 0 0 507.615 6.538 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861265 551551003 /nfs/dbraw/zinc/55/10/03/551551003.db2.gz LJODMNJPEYYMHO-FOPBOCKXSA-N 0 0 595.692 6.167 50 30 KKEARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3OC)c2C#N)c1 ZINC000000860939 551551010 /nfs/dbraw/zinc/55/10/10/551551010.db2.gz DARRYVQFLZBGHN-UHFFFAOYSA-N 0 0 525.630 6.352 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000861019 551551036 /nfs/dbraw/zinc/55/10/36/551551036.db2.gz CBXHLXREQCKALK-NIYFSFCBSA-N 0 0 510.030 5.918 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000861279 551551304 /nfs/dbraw/zinc/55/13/04/551551304.db2.gz HLKOVGOJHIGJSU-PIKZIKFNSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863485 551551978 /nfs/dbraw/zinc/55/19/78/551551978.db2.gz NTDQRYUYOJKLGN-MMTVBGGISA-N 0 0 532.593 5.459 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000863459 551551988 /nfs/dbraw/zinc/55/19/88/551551988.db2.gz MPYSWONPSBHQAW-GYCJOSAFSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863483 551552008 /nfs/dbraw/zinc/55/20/08/551552008.db2.gz NTDQRYUYOJKLGN-NGOKVRLYSA-N 0 0 532.593 5.459 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000863453 551552024 /nfs/dbraw/zinc/55/20/24/551552024.db2.gz DTPBUWPSMBVQCP-WXTAPIANSA-N 0 0 530.448 6.324 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000863482 551552047 /nfs/dbraw/zinc/55/20/47/551552047.db2.gz NTDQRYUYOJKLGN-PIIWDFAUSA-N 0 0 532.593 5.459 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000000863462 551552056 /nfs/dbraw/zinc/55/20/56/551552056.db2.gz HUOSEOAAZFUXFK-NSYGIPOTSA-N 0 0 530.448 6.324 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000863535 551552379 /nfs/dbraw/zinc/55/23/79/551552379.db2.gz GHKJNHAYEIVGDO-CPJLOUKISA-N 0 0 516.421 5.935 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000867323 551553324 /nfs/dbraw/zinc/55/33/24/551553324.db2.gz LLSZIEVIUOSCSF-NRUKRWIHSA-N 0 0 509.650 6.462 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000867321 551553357 /nfs/dbraw/zinc/55/33/57/551553357.db2.gz LLSZIEVIUOSCSF-GPNASLBKSA-N 0 0 509.650 6.462 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)c(OC)cc1Br ZINC000000878230 551555144 /nfs/dbraw/zinc/55/51/44/551555144.db2.gz GUOKQHYCTQDHBQ-XMMPIXPASA-N 0 0 511.416 5.381 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000959797 551590079 /nfs/dbraw/zinc/59/00/79/551590079.db2.gz DHNTYEXBFMBKLX-OAQYLSRUSA-N 0 0 524.042 5.630 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000000986545 551593102 /nfs/dbraw/zinc/59/31/02/551593102.db2.gz DYGSCRGUUAAMON-XJFCNFDWSA-N 0 0 501.586 6.305 50 30 KKEARN C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000997719 551595084 /nfs/dbraw/zinc/59/50/84/551595084.db2.gz HLEKYTOBKZEGBZ-UHFFFAOYSA-N 0 0 533.439 5.028 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000000999398 551595399 /nfs/dbraw/zinc/59/53/99/551595399.db2.gz XUHHBDMKAPSNPI-OWRWGESLSA-N 0 0 526.009 6.569 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000001003353 551596018 /nfs/dbraw/zinc/59/60/18/551596018.db2.gz MAONXHJBGQWIMD-RUZDIDTESA-N 0 0 524.545 5.099 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001003446 551596026 /nfs/dbraw/zinc/59/60/26/551596026.db2.gz WKKKBWRMORZDQH-VKGTZQKMSA-N 0 0 501.970 6.559 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000001003355 551596033 /nfs/dbraw/zinc/59/60/33/551596033.db2.gz CEZFFVOFGLKBOL-SANMLTNESA-N 0 0 538.572 5.489 50 30 KKEARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000001008336 551596472 /nfs/dbraw/zinc/59/64/72/551596472.db2.gz MOVXNCIHYPZDSF-CFRMEGHHSA-N 0 0 562.445 5.883 50 30 KKEARN COc1cc([C@H](C#N)N(Cc2ccccc2)C(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC ZINC000001026621 551597558 /nfs/dbraw/zinc/59/75/58/551597558.db2.gz IUQCRPMOGXDXRR-FQEVSTJZSA-N 0 0 507.011 6.488 50 30 KKEARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3ccc(Br)cc3)c(C#N)c(-c3cccnc3)c12 ZINC000001034226 551598504 /nfs/dbraw/zinc/59/85/04/551598504.db2.gz MKHOOGZNSOFHBR-UHFFFAOYSA-N 0 0 524.378 5.687 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001058152 551600620 /nfs/dbraw/zinc/60/06/20/551600620.db2.gz WCXWNBPUONBDED-QHCPKHFHSA-N 0 0 541.044 5.346 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000001070638 551602578 /nfs/dbraw/zinc/60/25/78/551602578.db2.gz WCEKOHGEXIYCLY-DNOBIOAJSA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1OC ZINC000001074585 551603501 /nfs/dbraw/zinc/60/35/01/551603501.db2.gz UKSMJHBMHGVBEQ-OLILMLBXSA-N 0 0 517.622 5.560 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001074671 551603891 /nfs/dbraw/zinc/60/38/91/551603891.db2.gz VAQRYKROYDUKBL-ZBLYBZFDSA-N 0 0 514.603 5.804 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000001074845 551604051 /nfs/dbraw/zinc/60/40/51/551604051.db2.gz YVTMKFZLGNUODL-WTYVLRPYSA-N 0 0 512.606 5.092 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc(Br)c1O ZINC000001076928 551604340 /nfs/dbraw/zinc/60/43/40/551604340.db2.gz MWWFNOPWSLPRTG-LBEKAKSKSA-N 0 0 579.491 6.940 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001076385 551604360 /nfs/dbraw/zinc/60/43/60/551604360.db2.gz PCZYCBCLDGOSBO-CLYVBNDRSA-N 0 0 545.661 5.478 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc(Br)c1O ZINC000001076921 551604376 /nfs/dbraw/zinc/60/43/76/551604376.db2.gz MWWFNOPWSLPRTG-RBSBEOHCSA-N 0 0 579.491 6.940 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000001077236 551604525 /nfs/dbraw/zinc/60/45/25/551604525.db2.gz MAPFDGRYQSIJTR-OQRWROFFSA-N 0 0 525.432 6.999 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000001077166 551604571 /nfs/dbraw/zinc/60/45/71/551604571.db2.gz DBWVSTYOIREKFY-RKOGDMNLSA-N 0 0 501.539 5.600 50 30 KKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000001077407 551604849 /nfs/dbraw/zinc/60/48/49/551604849.db2.gz AEZHJBDXAWWMLI-SONOPUAISA-N 0 0 500.595 6.091 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000001082086 551605921 /nfs/dbraw/zinc/60/59/21/551605921.db2.gz BSUISPGUVCRMIN-NLGDKJDOSA-N 0 0 567.638 5.734 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001082053 551605947 /nfs/dbraw/zinc/60/59/47/551605947.db2.gz UKPQXGLLCQUQJB-GDJIYFAZSA-N 0 0 566.492 6.314 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000001085029 551606208 /nfs/dbraw/zinc/60/62/08/551606208.db2.gz PFODZZJPMFZRTC-AREMUKBSSA-N 0 0 520.582 5.350 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)s1 ZINC000001122698 551613251 /nfs/dbraw/zinc/61/32/51/551613251.db2.gz NWBKQIKQKCAXLQ-WENCNXQZSA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccsc1 ZINC000001123316 551613435 /nfs/dbraw/zinc/61/34/35/551613435.db2.gz DBSVHYMFSKJTGX-WTYVLRPYSA-N 0 0 530.646 5.774 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000001132183 551615952 /nfs/dbraw/zinc/61/59/52/551615952.db2.gz WLSNVHVFDLTDLC-KJNHESKOSA-N 0 0 529.564 5.016 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)cc1Br ZINC000001140823 551617085 /nfs/dbraw/zinc/61/70/85/551617085.db2.gz BEXWGMIAOUADRX-IZHWHUGBSA-N 0 0 546.483 5.841 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1Cl ZINC000001144225 551618008 /nfs/dbraw/zinc/61/80/08/551618008.db2.gz XBHGIYGPMMOXEI-UHFFFAOYSA-N 0 0 542.857 6.391 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2coc3ccccc3c2=O)cc1 ZINC000001152098 551619375 /nfs/dbraw/zinc/61/93/75/551619375.db2.gz GZGHGWNTPDSGEM-AFJIDDCJSA-N 0 0 553.636 5.968 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001155696 551619928 /nfs/dbraw/zinc/61/99/28/551619928.db2.gz ZKZHZOPWOFTJAX-XGCWNURASA-N 0 0 582.491 6.019 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Br)cc1OC ZINC000001181974 551620901 /nfs/dbraw/zinc/62/09/01/551620901.db2.gz ZXGZRUNIFWRNBD-XGCWNURASA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000001181909 551620927 /nfs/dbraw/zinc/62/09/27/551620927.db2.gz LSBRICPLGPFHAA-CHAGWJKLSA-N 0 0 505.958 6.245 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000001181908 551620933 /nfs/dbraw/zinc/62/09/33/551620933.db2.gz LSBRICPLGPFHAA-RKOGDMNLSA-N 0 0 505.958 6.245 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000001182244 551621096 /nfs/dbraw/zinc/62/10/96/551621096.db2.gz BSKBNXHQNOUPBV-QUGAMOGWSA-N 0 0 505.412 6.533 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000001201368 551623347 /nfs/dbraw/zinc/62/33/47/551623347.db2.gz QAFILSKSPCGJCJ-AVRWGWEMSA-N 0 0 540.454 5.724 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2Br)cc1 ZINC000001201669 551623540 /nfs/dbraw/zinc/62/35/40/551623540.db2.gz MDMIADAUAMEEGS-AVRWGWEMSA-N 0 0 510.428 5.771 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2Br)cc1 ZINC000001201674 551623564 /nfs/dbraw/zinc/62/35/64/551623564.db2.gz MDMIADAUAMEEGS-BVZFJXPGSA-N 0 0 510.428 5.771 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000001201582 551623592 /nfs/dbraw/zinc/62/35/92/551623592.db2.gz XTOKWTPBUWQIBS-XJFCNFDWSA-N 0 0 537.612 5.571 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001204251 551624212 /nfs/dbraw/zinc/62/42/12/551624212.db2.gz VMRRYIWFXVRKKD-WTYVLRPYSA-N 0 0 566.492 6.314 50 30 KKEARN O=C1C[C@H](c2ccc3c(c2)OCO3)CC2=C1[C@@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000001214056 551626079 /nfs/dbraw/zinc/62/60/79/551626079.db2.gz LYSDSVPXIPAAPA-YVORESIASA-N 0 0 533.378 5.886 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O ZINC000001220957 551627939 /nfs/dbraw/zinc/62/79/39/551627939.db2.gz GFOWUTQLFNYSQE-MHZLTWQESA-N 0 0 503.595 5.010 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000001251409 551632539 /nfs/dbraw/zinc/63/25/39/551632539.db2.gz ZMMCEEQHVPVEIL-ICACTRECSA-N 0 0 554.687 6.930 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000001253092 551632700 /nfs/dbraw/zinc/63/27/00/551632700.db2.gz XBFDQGXYAOYIPZ-UHFFFAOYSA-N 0 0 552.292 5.607 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5ccc6ccccc6c5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001260827 551633561 /nfs/dbraw/zinc/63/35/61/551633561.db2.gz NYGIOMNQDGPJMW-NDEPHWFRSA-N 0 0 562.626 6.041 50 30 KKEARN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000001268895 551634434 /nfs/dbraw/zinc/63/44/34/551634434.db2.gz OTKRUQXKDGIMET-RCRUUEGKSA-N 0 0 508.618 7.410 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc(C)c2C(=O)Nc2ccccc2)cc1OC ZINC000001288541 551636997 /nfs/dbraw/zinc/63/69/97/551636997.db2.gz QAGPYCKJAIRDHV-UHFFFAOYSA-N 0 0 538.629 5.929 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000001303163 551638470 /nfs/dbraw/zinc/63/84/70/551638470.db2.gz LYYYXIWLMVGEQO-WHLCRQNOSA-N 0 0 552.549 6.175 50 30 KKEARN C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl ZINC000001388373 551660717 /nfs/dbraw/zinc/66/07/17/551660717.db2.gz VCSXLYWSZGHVRF-UHFFFAOYSA-N 0 0 503.864 5.195 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000001409569 551663891 /nfs/dbraw/zinc/66/38/91/551663891.db2.gz FOCITIUZAJEGEH-HRFSGMKKSA-N 0 0 506.524 6.467 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)c(OC)c1 ZINC000001409528 551663900 /nfs/dbraw/zinc/66/39/00/551663900.db2.gz CUXFTBJWYNOWNW-NDEPHWFRSA-N 0 0 513.663 6.717 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001409626 551664194 /nfs/dbraw/zinc/66/41/94/551664194.db2.gz KFGVICPIJUBQSK-UVMFRMCBSA-N 0 0 544.651 7.227 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001411056 551664772 /nfs/dbraw/zinc/66/47/72/551664772.db2.gz JHAQLRSDADQRDK-MUUNZHRXSA-N 0 0 510.590 5.786 50 30 KKEARN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001413164 551665138 /nfs/dbraw/zinc/66/51/38/551665138.db2.gz YPDHKEDGFRMTHD-RUZDIDTESA-N 0 0 513.981 5.229 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413411 551665451 /nfs/dbraw/zinc/66/54/51/551665451.db2.gz JTYOIVKRUSKGEU-RUZDIDTESA-N 0 0 515.407 6.060 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413425 551665505 /nfs/dbraw/zinc/66/55/05/551665505.db2.gz MFCQDXZQTLUNGN-AREMUKBSSA-N 0 0 561.432 5.769 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413478 551665808 /nfs/dbraw/zinc/66/58/08/551665808.db2.gz PQJBXOUHDPELIS-SANMLTNESA-N 0 0 516.981 5.660 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1)c1ccc(Br)cc1 ZINC000001413438 551665823 /nfs/dbraw/zinc/66/58/23/551665823.db2.gz BTIOVILZAQQGLL-QHCPKHFHSA-N 0 0 502.368 5.146 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000001413464 551665829 /nfs/dbraw/zinc/66/58/29/551665829.db2.gz PJOXGDLTUCXJAR-DEOSSOPVSA-N 0 0 519.370 5.891 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413452 551665866 /nfs/dbraw/zinc/66/58/66/551665866.db2.gz CRYVFABRJQAAKJ-SANMLTNESA-N 0 0 500.526 5.145 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccccc1 ZINC000001423061 551669090 /nfs/dbraw/zinc/66/90/90/551669090.db2.gz AHLXDZYIOGMAPN-SFHVURJKSA-N 0 0 510.084 6.648 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Br)cc4)c3)sc2C1 ZINC000001427434 551669432 /nfs/dbraw/zinc/66/94/32/551669432.db2.gz WPXIHYNIIXIHRQ-AWEZNQCLSA-N 0 0 530.469 5.560 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001427572 551669702 /nfs/dbraw/zinc/66/97/02/551669702.db2.gz HGSDHTVTJUAUPR-SGANQWHYSA-N 0 0 527.448 7.194 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001431252 551670229 /nfs/dbraw/zinc/67/02/29/551670229.db2.gz MQSGDRDGWCIVAE-OLILMLBXSA-N 0 0 545.657 5.879 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2Br)c1 ZINC000001434703 551670666 /nfs/dbraw/zinc/67/06/66/551670666.db2.gz UNXOEMOVDOZAFR-JYRCXFKTSA-N 0 0 535.438 6.454 50 30 KKEARN COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000001434715 551670971 /nfs/dbraw/zinc/67/09/71/551670971.db2.gz WCJTZSUFEHSVDU-WHLCRQNOSA-N 0 0 514.578 5.479 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000001436534 551671176 /nfs/dbraw/zinc/67/11/76/551671176.db2.gz UWPABDBSYCOIIQ-LWEPUTRXSA-N 0 0 512.609 6.211 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000001434789 551671177 /nfs/dbraw/zinc/67/11/77/551671177.db2.gz SOFQDPHQXILTMD-ADXZGYQBSA-N 0 0 514.578 5.617 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000001438093 551671701 /nfs/dbraw/zinc/67/17/01/551671701.db2.gz OSRRGCGCGLWZLB-YMGMXPECSA-N 0 0 535.438 6.454 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438342 551671717 /nfs/dbraw/zinc/67/17/17/551671717.db2.gz PMXDFEFXEUTZCB-RCDICMHDSA-N 0 0 504.421 5.963 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438547 551671935 /nfs/dbraw/zinc/67/19/35/551671935.db2.gz OAKWONMKSKTMMT-ONOMSOESSA-N 0 0 537.637 6.002 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438541 551671952 /nfs/dbraw/zinc/67/19/52/551671952.db2.gz IJORHJXTXLNJAK-LYZGTLIUSA-N 0 0 513.615 5.624 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001438582 551672284 /nfs/dbraw/zinc/67/22/84/551672284.db2.gz VJKUFSVISAQTRV-CCLHPLFOSA-N 0 0 530.602 5.770 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(OC(C)=O)cc1 ZINC000001439745 551672460 /nfs/dbraw/zinc/67/24/60/551672460.db2.gz OIMISOGUXWNOTR-PBBNMVCDSA-N 0 0 515.606 5.468 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001450354 551675128 /nfs/dbraw/zinc/67/51/28/551675128.db2.gz UTSRKLBGGPCTKR-DEOSSOPVSA-N 0 0 528.586 5.491 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450344 551675259 /nfs/dbraw/zinc/67/52/59/551675259.db2.gz OERCUOUEMVJCEF-DEOSSOPVSA-N 0 0 528.586 5.491 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001450361 551675590 /nfs/dbraw/zinc/67/55/90/551675590.db2.gz XOAUMGMPCKCPDB-RUZDIDTESA-N 0 0 560.628 5.730 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001451060 551675643 /nfs/dbraw/zinc/67/56/43/551675643.db2.gz ROSLLASECVFJCB-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cccs3)C2)cc1 ZINC000001453814 551676503 /nfs/dbraw/zinc/67/65/03/551676503.db2.gz FHAAAGBQBBZVLT-MNAQKMTRSA-N 0 0 596.705 6.997 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460771 551678195 /nfs/dbraw/zinc/67/81/95/551678195.db2.gz HBHFCZRTFPKXQQ-JPQMRUPTSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460755 551678205 /nfs/dbraw/zinc/67/82/05/551678205.db2.gz DDWIKRVPFUKKLS-JPQMRUPTSA-N 0 0 552.671 6.411 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460766 551678218 /nfs/dbraw/zinc/67/82/18/551678218.db2.gz TWGRYZZASWARTE-KCEHZKJRSA-N 0 0 584.669 5.817 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2coc3ccccc3c2=O)cc1 ZINC000001460752 551678243 /nfs/dbraw/zinc/67/82/43/551678243.db2.gz CCKPUABLVXWSAB-MNAQKMTRSA-N 0 0 592.648 5.819 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2coc3ccccc3c2=O)cc1OC ZINC000001460816 551678528 /nfs/dbraw/zinc/67/85/28/551678528.db2.gz FIIPHIPVXOLFSN-ICACTRECSA-N 0 0 576.649 6.119 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000001460785 551678571 /nfs/dbraw/zinc/67/85/71/551678571.db2.gz GZSNMLDKOBIABS-PVAZPRTOSA-N 0 0 582.697 6.500 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001460834 551678710 /nfs/dbraw/zinc/67/87/10/551678710.db2.gz VZRGJHAZDMUFRF-OGVWKLGRSA-N 0 0 566.698 6.836 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001460832 551678788 /nfs/dbraw/zinc/67/87/88/551678788.db2.gz VZRGJHAZDMUFRF-INJOXJOKSA-N 0 0 566.698 6.836 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461006 551679041 /nfs/dbraw/zinc/67/90/41/551679041.db2.gz KXRBIGHBSVRNDD-UGDMGKLASA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460981 551679055 /nfs/dbraw/zinc/67/90/55/551679055.db2.gz MNRABOZNVIBHCU-JCOAXYOVSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(O)c(OC)c2)cc1OC ZINC000001461008 551679060 /nfs/dbraw/zinc/67/90/60/551679060.db2.gz KXRBIGHBSVRNDD-UVDDSOTQSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000001460988 551679064 /nfs/dbraw/zinc/67/90/64/551679064.db2.gz MVTQTQOWBAGXBC-NRUKRWIHSA-N 0 0 551.687 6.079 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(C)ccc2C)cc1OC ZINC000001461001 551679071 /nfs/dbraw/zinc/67/90/71/551679071.db2.gz XPKNBMLHBJAPMX-NRUKRWIHSA-N 0 0 536.672 6.629 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461027 551679171 /nfs/dbraw/zinc/67/91/71/551679171.db2.gz VVUSIEWIPOJDNR-GOXGLGGOSA-N 0 0 536.672 6.575 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001461038 551679180 /nfs/dbraw/zinc/67/91/80/551679180.db2.gz IYIWESNIDAWOCX-JIYROHSKSA-N 0 0 552.671 6.411 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461025 551679199 /nfs/dbraw/zinc/67/91/99/551679199.db2.gz GDJWKCSYGLFLRU-BNHRFMORSA-N 0 0 552.671 6.275 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461079 551679511 /nfs/dbraw/zinc/67/95/11/551679511.db2.gz VLFWGPCPJUMCRI-JIYROHSKSA-N 0 0 568.670 6.117 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(O)c2)cc1 ZINC000001461090 551679522 /nfs/dbraw/zinc/67/95/22/551679522.db2.gz RTYGDAVITRRDKH-JRPXNJEYSA-N 0 0 540.616 5.418 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479969 551681468 /nfs/dbraw/zinc/68/14/68/551681468.db2.gz PHVBIUCKTWKAFW-QHCPKHFHSA-N 0 0 534.590 5.623 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001480135 551681597 /nfs/dbraw/zinc/68/15/97/551681597.db2.gz YZUATBVWXOERON-HSZRJFAPSA-N 0 0 532.574 5.114 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000001661685 551688288 /nfs/dbraw/zinc/68/82/88/551688288.db2.gz OREQNSPAFLLDAI-MGBGTMOVSA-N 0 0 517.072 8.806 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000001740140 551691467 /nfs/dbraw/zinc/69/14/67/551691467.db2.gz KSOBETNRXXAWKW-PMERELPUSA-N 0 0 533.580 5.815 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001772804 551696920 /nfs/dbraw/zinc/69/69/20/551696920.db2.gz MQKPAJNFWOVWQP-UHFFFAOYSA-N 0 0 577.493 7.227 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccccc1 ZINC000001811288 551706252 /nfs/dbraw/zinc/70/62/52/551706252.db2.gz BQGHYVCLDLIYAI-UHFFFAOYSA-N 0 0 550.031 6.581 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccccc1Cl ZINC000001811304 551706555 /nfs/dbraw/zinc/70/65/55/551706555.db2.gz BNFUWFJSNJDPHM-UHFFFAOYSA-N 0 0 550.031 6.581 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000001820919 551708814 /nfs/dbraw/zinc/70/88/14/551708814.db2.gz NVESFBXAWNNACP-RNWIMVQKSA-N 0 0 513.638 7.469 50 30 KKEARN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CCCC2 ZINC000001831371 551711451 /nfs/dbraw/zinc/71/14/51/551711451.db2.gz YIJXKWKTDAUGJU-WKULSOCRSA-N 0 0 501.479 8.007 50 30 KKEARN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000001852524 551715636 /nfs/dbraw/zinc/71/56/36/551715636.db2.gz BBTOXZCAUAQTPZ-KNBZMSCYSA-N 0 0 593.330 6.876 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000001869170 551719084 /nfs/dbraw/zinc/71/90/84/551719084.db2.gz YFFAYDLVDYQFCZ-LJQANCHMSA-N 0 0 508.326 7.843 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)CN2C(=O)c3ccccc3C2=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000001874695 551721506 /nfs/dbraw/zinc/72/15/06/551721506.db2.gz YZPOABUDASZZRY-UHFFFAOYSA-N 0 0 569.021 5.029 50 30 KKEARN C=C(C)Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000001875883 551722262 /nfs/dbraw/zinc/72/22/62/551722262.db2.gz KTWUIGYEKWQKSL-UHFFFAOYSA-N 0 0 561.751 6.852 50 30 KKEARN COc1ccc(/C=N/OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1OC ZINC000001876025 551722311 /nfs/dbraw/zinc/72/23/11/551722311.db2.gz QMBQYZJPLXOCGA-SEBMTOOBSA-N 0 0 570.649 6.748 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1cccc(Br)c1 ZINC000001877138 551723263 /nfs/dbraw/zinc/72/32/63/551723263.db2.gz NYYPKWCRNSBINB-KVSWJAHQSA-N 0 0 577.287 7.553 50 30 KKEARN CCOc1ccc(-c2nc3cc(/N=C/c4c(O)c(OC)cc(Br)c4Br)ccc3o2)cc1 ZINC000001885086 551725250 /nfs/dbraw/zinc/72/52/50/551725250.db2.gz FSIPKECCVLCTOU-RPPGKUMJSA-N 0 0 546.215 6.883 50 30 KKEARN Clc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(I)c5)nc4c3)o2)c1 ZINC000001885554 551725417 /nfs/dbraw/zinc/72/54/17/551725417.db2.gz VULCYJHXYZZCMA-MZJWZYIUSA-N 0 0 524.745 7.763 50 30 KKEARN COC(=O)[C@]1(OC)C(C(=O)c2ccc(Cl)cc2)=C(OC(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1 ZINC000001889436 551726033 /nfs/dbraw/zinc/72/60/33/551726033.db2.gz YPKGKXVUIAVOTH-MGBGTMOVSA-N 0 0 568.025 6.146 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000001889515 551726283 /nfs/dbraw/zinc/72/62/83/551726283.db2.gz DLESBVWKIJVLSA-XAZZYMPDSA-N 0 0 556.467 8.045 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc2scc(-c3ccccc3)c2c1=O ZINC000001895960 551727744 /nfs/dbraw/zinc/72/77/44/551727744.db2.gz WTENUAZDUPDUNM-MRXNPFEDSA-N 0 0 532.716 6.100 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc2scc(-c3ccccc3)c2c1=O ZINC000001895958 551727765 /nfs/dbraw/zinc/72/77/65/551727765.db2.gz WTENUAZDUPDUNM-INIZCTEOSA-N 0 0 532.716 6.100 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccccc3Cl)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001896740 551728313 /nfs/dbraw/zinc/72/83/13/551728313.db2.gz XPDPCQFNPXZEMJ-HHHXNRCGSA-N 0 0 564.988 5.116 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCCc3ccccc3)C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000001898559 551729554 /nfs/dbraw/zinc/72/95/54/551729554.db2.gz WIMHIIGYWWYLCS-PMERELPUSA-N 0 0 566.576 5.367 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001900895 551730893 /nfs/dbraw/zinc/73/08/93/551730893.db2.gz WDCVUFUBPGUXRV-UHFFFAOYSA-N 0 0 553.650 6.994 50 30 KKEARN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001902323 551731542 /nfs/dbraw/zinc/73/15/42/551731542.db2.gz YONRVTMGXFAOOD-UHFFFAOYSA-N 0 0 561.751 7.701 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccc(Br)cc1 ZINC000001906375 551731863 /nfs/dbraw/zinc/73/18/63/551731863.db2.gz YQXQJVOZQJVBLG-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906415 551732104 /nfs/dbraw/zinc/73/21/04/551732104.db2.gz WZJUGSYLKICDBC-UHFFFAOYSA-N 0 0 595.028 6.490 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccc(F)cc1 ZINC000001906427 551732128 /nfs/dbraw/zinc/73/21/28/551732128.db2.gz CFJWKYYUONJOFP-UHFFFAOYSA-N 0 0 534.469 6.355 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1ccc(OCC)cc1 ZINC000001906582 551732274 /nfs/dbraw/zinc/73/22/74/551732274.db2.gz RKSNJOLEVSEEFY-UHFFFAOYSA-N 0 0 560.532 6.615 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccc(OCC)cc1 ZINC000001906573 551732302 /nfs/dbraw/zinc/73/23/02/551732302.db2.gz VGJPWVVXJJQSHN-UHFFFAOYSA-N 0 0 560.532 6.615 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1cccc2ccccc21 ZINC000001906635 551732493 /nfs/dbraw/zinc/73/24/93/551732493.db2.gz RUTROQHJMIKFAH-UHFFFAOYSA-N 0 0 576.545 6.825 50 30 KKEARN Brc1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1 ZINC000001922427 551734536 /nfs/dbraw/zinc/73/45/36/551734536.db2.gz FNOQVIOKBIETRC-PFITVWDTSA-N 0 0 529.175 7.278 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000001952280 551735404 /nfs/dbraw/zinc/73/54/04/551735404.db2.gz KVRFEHSUTMNNRW-JTOYJDTJSA-N 0 0 556.643 7.738 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000001955360 551735751 /nfs/dbraw/zinc/73/57/51/551735751.db2.gz RKQNPGFPFUHNNY-VWJSQJICSA-N 0 0 596.264 8.543 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O ZINC000001955144 551735763 /nfs/dbraw/zinc/73/57/63/551735763.db2.gz RWVWVXBARSFWLW-IPPBACCNSA-N 0 0 572.297 8.172 50 30 KKEARN O=[N+]([O-])c1cc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)ccc1Br ZINC000001955189 551735782 /nfs/dbraw/zinc/73/57/82/551735782.db2.gz WUOBQAOAAGJHGR-ZWJMYBGQSA-N 0 0 517.166 7.888 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3Br)c2)c1O ZINC000001958633 551736064 /nfs/dbraw/zinc/73/60/64/551736064.db2.gz VRYCWJUFUPXXDV-RPPGKUMJSA-N 0 0 597.101 7.081 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000002026062 551736431 /nfs/dbraw/zinc/73/64/31/551736431.db2.gz WNEJMDOIWKHPFQ-QCBOHVIISA-N 0 0 503.642 8.094 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F ZINC000002050121 551738278 /nfs/dbraw/zinc/73/82/78/551738278.db2.gz SYCGZWUCXNFIRM-NRFANRHFSA-N 0 0 533.494 5.571 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000002053304 551739173 /nfs/dbraw/zinc/73/91/73/551739173.db2.gz WUOUWTSCUSXIRE-GGPVNALXSA-N 0 0 501.405 7.518 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000002053517 551739231 /nfs/dbraw/zinc/73/92/31/551739231.db2.gz ICVMKMIIBQRYMX-LUOAPIJWSA-N 0 0 564.661 7.837 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002054271 551739450 /nfs/dbraw/zinc/73/94/50/551739450.db2.gz BEDKECNLMDXMMS-UHFFFAOYSA-N 0 0 528.033 6.818 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000002055236 551739689 /nfs/dbraw/zinc/73/96/89/551739689.db2.gz PFKHZLWKPXNETG-PMERELPUSA-N 0 0 529.677 6.754 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002057992 551740592 /nfs/dbraw/zinc/74/05/92/551740592.db2.gz QCQXLAVSGJTQPS-RBTNQOKQSA-N 0 0 518.440 7.098 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002057990 551740606 /nfs/dbraw/zinc/74/06/06/551740606.db2.gz QCQXLAVSGJTQPS-LYZGTLIUSA-N 0 0 518.440 7.098 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002059508 551741501 /nfs/dbraw/zinc/74/15/01/551741501.db2.gz QNUIDGHZNMQFID-NYFMKLKXSA-N 0 0 533.668 7.716 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002061985 551742912 /nfs/dbraw/zinc/74/29/12/551742912.db2.gz RHGXARMWCLVIED-ZTOMLWHTSA-N 0 0 516.012 6.627 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002061990 551743126 /nfs/dbraw/zinc/74/31/26/551743126.db2.gz RIXJYSLSUUMODO-HOYKHHGWSA-N 0 0 514.847 6.417 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000002061989 551743138 /nfs/dbraw/zinc/74/31/38/551743138.db2.gz RIXJYSLSUUMODO-KOSHJBKYSA-N 0 0 514.847 6.417 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002063647 551744569 /nfs/dbraw/zinc/74/45/69/551744569.db2.gz MXLIMUWIEPHMDS-DEOSSOPVSA-N 0 0 510.428 5.675 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002066356 551745257 /nfs/dbraw/zinc/74/52/57/551745257.db2.gz NQERXVKKRNTYFG-JOCHJYFZSA-N 0 0 504.421 5.515 50 30 KKEARN CCCCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000002068336 551746308 /nfs/dbraw/zinc/74/63/08/551746308.db2.gz MLAZMBJSBMTWAC-LNZWSYKSSA-N 0 0 521.657 7.129 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(F)cc4F)nc3c2)c1O ZINC000002068750 551746452 /nfs/dbraw/zinc/74/64/52/551746452.db2.gz PGNYZKDGMDPTRJ-YPXUMCKCSA-N 0 0 552.169 7.153 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(Sc3nc4ccccc4s3)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000002071231 551747090 /nfs/dbraw/zinc/74/70/90/551747090.db2.gz PZIYGUJTAQNQOX-UHFFFAOYSA-N 0 0 523.676 7.527 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1Br ZINC000002071560 551747373 /nfs/dbraw/zinc/74/73/73/551747373.db2.gz CLUYKSCUCXIBBO-BHGWPJFGSA-N 0 0 502.162 6.485 50 30 KKEARN 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C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000002679302 552154282 /nfs/dbraw/zinc/15/42/82/552154282.db2.gz BTUXEIMGNXKDDX-UHFFFAOYSA-N 0 0 557.716 7.086 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002679423 552154555 /nfs/dbraw/zinc/15/45/55/552154555.db2.gz QRMWMVANGCIUCQ-UHFFFAOYSA-N 0 0 543.714 6.848 50 30 KKEARN CN(C)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719436 552163711 /nfs/dbraw/zinc/16/37/11/552163711.db2.gz YJVZYFARONZPDH-JOCHJYFZSA-N 0 0 531.638 5.649 50 30 KKEARN CCOc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000002719224 552163759 /nfs/dbraw/zinc/16/37/59/552163759.db2.gz ZMNFFYYSOKSDPH-OAQYLSRUSA-N 0 0 504.568 5.346 50 30 KKEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1cc(-c3ccc(Cl)cc3)nc3ccccc31)CCCCC2 ZINC000002726888 552167110 /nfs/dbraw/zinc/16/71/10/552167110.db2.gz KOUKOJOTDBNNPZ-UHFFFAOYSA-N 0 0 517.079 6.884 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2c(F)cccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002727187 552167352 /nfs/dbraw/zinc/16/73/52/552167352.db2.gz HKRXIBACXRHCJO-WRHNGFHOSA-N 0 0 538.040 6.524 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002727266 552167625 /nfs/dbraw/zinc/16/76/25/552167625.db2.gz CTZUGIYTNCDHEG-DCFHFQCYSA-N 0 0 520.050 6.385 50 30 KKEARN CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002734243 552169589 /nfs/dbraw/zinc/16/95/89/552169589.db2.gz HQUAMNZCGOALHI-SECBINFHSA-N 0 0 527.449 6.483 50 30 KKEARN CCc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)CC)C4)c3ccccc3n2)cc1 ZINC000002738869 552171029 /nfs/dbraw/zinc/17/10/29/552171029.db2.gz OQTJXTDLERCXBH-JOCHJYFZSA-N 0 0 507.703 8.191 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)N1c1ccccc1CC ZINC000002739807 552171566 /nfs/dbraw/zinc/17/15/66/552171566.db2.gz SJHHQGAFTFNNPR-PLUIPBISSA-N 0 0 551.506 7.400 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002741030 552171745 /nfs/dbraw/zinc/17/17/45/552171745.db2.gz ZVEJIARBARHMCS-ZBLYBZFDSA-N 0 0 520.467 6.687 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000002744112 552172630 /nfs/dbraw/zinc/17/26/30/552172630.db2.gz ZWTRSFHVNJICSS-QHCPKHFHSA-N 0 0 512.071 6.349 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Nc3ccccc3-c3nnc(SCCCCC)nc3O2)cc1OCC ZINC000002744897 552172941 /nfs/dbraw/zinc/17/29/41/552172941.db2.gz YWSFGFHYBJTRDE-DEOSSOPVSA-N 0 0 557.514 7.050 50 30 KKEARN COc1ccc(Br)cc1/C=N/N1C(=O)c2ccccc2N[C@H]1c1cc(Br)ccc1OC ZINC000002746829 552174076 /nfs/dbraw/zinc/17/40/76/552174076.db2.gz XVAZZPYEKGUESQ-XFBJJFJZSA-N 0 0 545.231 5.829 50 30 KKEARN C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1c1cccc(OCC)c1 ZINC000002746712 552174094 /nfs/dbraw/zinc/17/40/94/552174094.db2.gz FLDATEGLJYIGHR-XMMPIXPASA-N 0 0 556.254 6.393 50 30 KKEARN C#CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000002748588 552175205 /nfs/dbraw/zinc/17/52/05/552175205.db2.gz ZTEYRKVACCVPCX-GDLZYMKVSA-N 0 0 582.454 5.952 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(Br)c1OCC#N ZINC000002752329 552176172 /nfs/dbraw/zinc/17/61/72/552176172.db2.gz RUMQHBHWKWMFBW-KGENOOAVSA-N 0 0 508.397 5.795 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c3ccccc3n2)c1 ZINC000002753536 552176564 /nfs/dbraw/zinc/17/65/64/552176564.db2.gz BOHFJQDIGBXISU-FQEVSTJZSA-N 0 0 509.675 7.637 50 30 KKEARN CCOc1ccc2nc(S[C@@H](Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c3ccc(Cl)cc3)sc2c1 ZINC000002756408 552178161 /nfs/dbraw/zinc/17/81/61/552178161.db2.gz XDFWKVYKQUSGKD-HFJWLAOPSA-N 0 0 568.233 9.336 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F ZINC000002757307 552178572 /nfs/dbraw/zinc/17/85/72/552178572.db2.gz OUQHGTNMXBTKOA-BVZFJXPGSA-N 0 0 500.035 6.137 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1Br ZINC000002757366 552178629 /nfs/dbraw/zinc/17/86/29/552178629.db2.gz OOIYOTHDXROHHZ-MMTVBGGISA-N 0 0 584.938 7.349 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000002757441 552178771 /nfs/dbraw/zinc/17/87/71/552178771.db2.gz HDNIWHVYPINMOG-PIIWDFAUSA-N 0 0 506.042 6.586 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002757407 552178849 /nfs/dbraw/zinc/17/88/49/552178849.db2.gz UUOOGYASGWELJF-HLADLETHSA-N 0 0 528.048 6.496 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002757457 552178995 /nfs/dbraw/zinc/17/89/95/552178995.db2.gz BDSWBTNIEWMAFE-UQBPGWFLSA-N 0 0 526.427 5.009 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002757455 552179009 /nfs/dbraw/zinc/17/90/09/552179009.db2.gz BDSWBTNIEWMAFE-KBMIEXCESA-N 0 0 526.427 5.009 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(CCCC2=O)N1 ZINC000002757705 552179252 /nfs/dbraw/zinc/17/92/52/552179252.db2.gz OGEMPVYFCGCLAI-RUZDIDTESA-N 0 0 505.954 5.037 50 30 biogenic KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000002757795 552179435 /nfs/dbraw/zinc/17/94/35/552179435.db2.gz NQHXBWQCXKCLJS-FNZWTVRRSA-N 0 0 540.454 5.399 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757861 552179439 /nfs/dbraw/zinc/17/94/39/552179439.db2.gz PPDVPSDWFKHACX-ZTOMLWHTSA-N 0 0 530.020 6.029 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000002757797 552179458 /nfs/dbraw/zinc/17/94/58/552179458.db2.gz NQHXBWQCXKCLJS-IBVKSMDESA-N 0 0 540.454 5.399 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000002757959 552179718 /nfs/dbraw/zinc/17/97/18/552179718.db2.gz MJQQIMJHCHDHRC-HPMVVLTCSA-N 0 0 597.664 5.613 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002758140 552180027 /nfs/dbraw/zinc/18/00/27/552180027.db2.gz SOJNPCIBXKWFFA-PIKZIKFNSA-N 0 0 508.058 6.688 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2Cl)cc1 ZINC000002758137 552180065 /nfs/dbraw/zinc/18/00/65/552180065.db2.gz OPEUNFFSXZAQKP-YUDQIZAISA-N 0 0 528.048 6.496 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002758142 552180264 /nfs/dbraw/zinc/18/02/64/552180264.db2.gz SOJNPCIBXKWFFA-KMRXNPHXSA-N 0 0 508.058 6.688 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002758187 552180277 /nfs/dbraw/zinc/18/02/77/552180277.db2.gz RVNURXVXVQTPBP-NSYGIPOTSA-N 0 0 500.422 6.317 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002758190 552180281 /nfs/dbraw/zinc/18/02/81/552180281.db2.gz BOJSYURUGRNGJQ-XMMPIXPASA-N 0 0 500.422 6.220 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002758267 552180319 /nfs/dbraw/zinc/18/03/19/552180319.db2.gz BCIBLFMPZLRZHO-WXGMZPBLSA-N 0 0 521.657 6.826 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000002758429 552180586 /nfs/dbraw/zinc/18/05/86/552180586.db2.gz MBRLZKVEBLOBJJ-VWLOTQADSA-N 0 0 508.546 5.480 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc43)sc2C1 ZINC000002759043 552181329 /nfs/dbraw/zinc/18/13/29/552181329.db2.gz KJZRTUIIHNLOPP-OAHLLOKOSA-N 0 0 502.437 6.975 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc43)sc2C1 ZINC000002759133 552181468 /nfs/dbraw/zinc/18/14/68/552181468.db2.gz AXXRGWCYWKRQEX-SFHVURJKSA-N 0 0 544.518 8.001 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000002771557 552184523 /nfs/dbraw/zinc/18/45/23/552184523.db2.gz LNYUBOYYWHATKN-HFJWLAOPSA-N 0 0 541.666 5.104 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002771765 552184526 /nfs/dbraw/zinc/18/45/26/552184526.db2.gz IZBJYMSIRNXXOS-CLOONOSVSA-N 0 0 527.042 5.906 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002771887 552184701 /nfs/dbraw/zinc/18/47/01/552184701.db2.gz VCEZUAUWOKWQIM-DCFHFQCYSA-N 0 0 520.050 6.385 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000002771806 552184733 /nfs/dbraw/zinc/18/47/33/552184733.db2.gz CPVXKOWENCHZRH-DCFHFQCYSA-N 0 0 507.652 5.741 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000002771808 552184754 /nfs/dbraw/zinc/18/47/54/552184754.db2.gz CPVXKOWENCHZRH-HRFSGMKKSA-N 0 0 507.652 5.741 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002771985 552184969 /nfs/dbraw/zinc/18/49/69/552184969.db2.gz HRTXCNQQVJLUSI-ZBLYBZFDSA-N 0 0 535.662 5.140 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002771956 552184985 /nfs/dbraw/zinc/18/49/85/552184985.db2.gz MXRKTSQDXIMWGM-DFBJGRDBSA-N 0 0 510.974 5.190 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002772159 552185269 /nfs/dbraw/zinc/18/52/69/552185269.db2.gz YDQPDIAAXXLVFS-AVRWGWEMSA-N 0 0 560.872 5.662 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000002772155 552185368 /nfs/dbraw/zinc/18/53/68/552185368.db2.gz RJTKRJITQVXRNN-GDJIYFAZSA-N 0 0 521.610 5.036 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000002772180 552185498 /nfs/dbraw/zinc/18/54/98/552185498.db2.gz AUVQOHGWBRWNNM-MMTVBGGISA-N 0 0 545.657 5.749 50 30 KKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)o4)nc4ccccc43)c2C#N)cc1 ZINC000002773514 552185811 /nfs/dbraw/zinc/18/58/11/552185811.db2.gz BEDIJSJYCSLLGG-GOSISDBHSA-N 0 0 505.643 8.478 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002775327 552186427 /nfs/dbraw/zinc/18/64/27/552186427.db2.gz LZZPYYAOPMYTBQ-DWXRJYCRSA-N 0 0 542.028 5.004 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OCc2ccccc2)c1 ZINC000002775353 552186438 /nfs/dbraw/zinc/18/64/38/552186438.db2.gz ZDMIYPVKRJXUNU-HHHXNRCGSA-N 0 0 507.652 5.538 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000002776358 552187128 /nfs/dbraw/zinc/18/71/28/552187128.db2.gz XUXHMRGENPUEKV-DEOSSOPVSA-N 0 0 512.002 5.280 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002776344 552187188 /nfs/dbraw/zinc/18/71/88/552187188.db2.gz CJVHQBZJESFQPF-OAQYLSRUSA-N 0 0 522.461 5.078 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000002776378 552187426 /nfs/dbraw/zinc/18/74/26/552187426.db2.gz CYSLICZRWGFRAB-NSYGIPOTSA-N 0 0 574.899 6.522 50 30 KKEARN CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)c1 ZINC000002777341 552187742 /nfs/dbraw/zinc/18/77/42/552187742.db2.gz BPFNAWQVYLHPAU-UHFFFAOYSA-N 0 0 540.714 6.875 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)c(C#N)c1C ZINC000002782371 552188726 /nfs/dbraw/zinc/18/87/26/552188726.db2.gz STRZFYAMUFCWCX-UHFFFAOYSA-N 0 0 546.413 5.294 50 30 KKEARN CCCCc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3cc(Br)ccc3n2)cc1 ZINC000002783254 552188945 /nfs/dbraw/zinc/18/89/45/552188945.db2.gz MBKHFZDTFVDYHF-UHFFFAOYSA-N 0 0 544.518 8.071 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002788624 552191147 /nfs/dbraw/zinc/19/11/47/552191147.db2.gz QWBFAAGXYQRXOV-IBVKSMDESA-N 0 0 522.623 5.261 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000002788618 552191170 /nfs/dbraw/zinc/19/11/70/552191170.db2.gz QSLLQORRIJHYMV-GKVSMKOHSA-N 0 0 530.448 6.325 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000002788673 552191185 /nfs/dbraw/zinc/19/11/85/552191185.db2.gz ZAQAFHUSOWOIMH-AFJIDDCJSA-N 0 0 545.657 5.749 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000002788674 552191195 /nfs/dbraw/zinc/19/11/95/552191195.db2.gz ZAQAFHUSOWOIMH-WRONEBCDSA-N 0 0 545.657 5.749 50 30 KKEARN CCCCc1ccc(-c2csc(NC(=O)c3cc(-c4cccc(OCC)c4)nc4ccccc43)c2C#N)cc1 ZINC000002788993 552191484 /nfs/dbraw/zinc/19/14/84/552191484.db2.gz AYDDKMYHCLPIQB-UHFFFAOYSA-N 0 0 531.681 8.496 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c(C#N)c1-c1ccc(C(C)C)cc1 ZINC000002789353 552191626 /nfs/dbraw/zinc/19/16/26/552191626.db2.gz ZLWVTVJRPVJIIJ-UHFFFAOYSA-N 0 0 543.736 9.385 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000002792809 552191913 /nfs/dbraw/zinc/19/19/13/552191913.db2.gz BIYAYBIXHBZDLP-WVXBCFDCSA-N 0 0 527.592 5.818 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002801501 552194695 /nfs/dbraw/zinc/19/46/95/552194695.db2.gz JIKZQIGUGFJSML-XHCCPWGMSA-N 0 0 510.461 7.231 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)c(Br)c1 ZINC000002806056 552195881 /nfs/dbraw/zinc/19/58/81/552195881.db2.gz VTUJBPMMXJBTMQ-NSYGIPOTSA-N 0 0 528.418 5.912 50 30 KKEARN Cc1cccc(/N=C2\S/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N2c2cccc(C)c2)c1 ZINC000002807372 552196430 /nfs/dbraw/zinc/19/64/30/552196430.db2.gz GVLHDWHALMTBHP-DUPRQXJUSA-N 0 0 529.459 8.135 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCS(=O)(=O)c1nc2ccccc2s1 ZINC000002807211 552196467 /nfs/dbraw/zinc/19/64/67/552196467.db2.gz SXUMFFUDGMCBCX-UHFFFAOYSA-N 0 0 519.698 6.524 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H](O)CS(=O)(=O)Cc1ccccc1 ZINC000002837072 552197703 /nfs/dbraw/zinc/19/77/03/552197703.db2.gz DKSWGIMMIOPYGQ-XMMPIXPASA-N 0 0 500.645 5.355 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002851081 552200944 /nfs/dbraw/zinc/20/09/44/552200944.db2.gz DAOFISVKZWUARL-QFIPXVFZSA-N 0 0 542.503 5.393 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000002851035 552200981 /nfs/dbraw/zinc/20/09/81/552200981.db2.gz KJPQWQSXKLCULA-JOCHJYFZSA-N 0 0 566.942 6.591 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OC ZINC000002861900 552204314 /nfs/dbraw/zinc/20/43/14/552204314.db2.gz QPUFNQIVLOZVFK-AREMUKBSSA-N 0 0 517.965 5.774 50 30 KKEARN CCOc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000002862083 552204351 /nfs/dbraw/zinc/20/43/51/552204351.db2.gz PBLSRPKYVCDEGV-YTTGMZPUSA-N 0 0 593.705 5.924 50 30 KKEARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c1 ZINC000002866404 552205351 /nfs/dbraw/zinc/20/53/51/552205351.db2.gz OLQNLCUNDIYYFX-OAHLLOKOSA-N 0 0 512.657 5.569 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000002867017 552205719 /nfs/dbraw/zinc/20/57/19/552205719.db2.gz DYNNBNGGABAJNU-UHFFFAOYSA-N 0 0 540.860 5.345 50 30 KKEARN C=CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002867123 552205902 /nfs/dbraw/zinc/20/59/02/552205902.db2.gz JXGHKPGVBBHRQM-UHFFFAOYSA-N 0 0 508.406 5.130 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2Cc1ccco1 ZINC000002872158 552206833 /nfs/dbraw/zinc/20/68/33/552206833.db2.gz SXQFLFJTDKXVJD-QFIPXVFZSA-N 0 0 515.315 5.303 50 30 KKEARN CC1(C)Cc2nc(SCC(=O)Nc3nc(-c4ccccc4)ns3)c(C#N)c(-c3ccccc3)c2C(=O)C1 ZINC000002889139 552210620 /nfs/dbraw/zinc/21/06/20/552210620.db2.gz IKDDFOAVYRPQTF-UHFFFAOYSA-N 0 0 525.659 6.025 50 30 KKEARN CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3nsc(-c4ccc(Cl)cc4)n3)c(C#N)c2-c2ccccc2)C1 ZINC000002890803 552211466 /nfs/dbraw/zinc/21/14/66/552211466.db2.gz ZRJXZUUOGGVCNT-UHFFFAOYSA-N 0 0 560.104 6.678 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000002909848 552214122 /nfs/dbraw/zinc/21/41/22/552214122.db2.gz RAGIHZKBHTUTIA-HKBQPEDESA-N 0 0 588.582 8.877 50 30 KKEARN CCOc1ccc(C(=O)/C=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000002919829 552219183 /nfs/dbraw/zinc/21/91/83/552219183.db2.gz LNPTUCNDPZXBBA-KYUGXVBWSA-N 0 0 518.609 7.477 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000002923153 552221863 /nfs/dbraw/zinc/22/18/63/552221863.db2.gz DKDMMELIASVPAY-RBTNQOKQSA-N 0 0 506.042 6.586 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002923399 552222160 /nfs/dbraw/zinc/22/21/60/552222160.db2.gz KRFHGTFZTYTBGW-NFQMXDRXSA-N 0 0 523.651 5.067 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000002925011 552222507 /nfs/dbraw/zinc/22/25/07/552222507.db2.gz UENIFCVIKGRYMQ-YKGWIAGDSA-N 0 0 564.078 6.511 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002926485 552224106 /nfs/dbraw/zinc/22/41/06/552224106.db2.gz HOZIATCLFCATPS-YUDQIZAISA-N 0 0 544.047 6.332 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000002926358 552224200 /nfs/dbraw/zinc/22/42/00/552224200.db2.gz JWCPNUPUQPJQTG-NLFFAJNJSA-N 0 0 526.496 6.107 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl ZINC000002927082 552224841 /nfs/dbraw/zinc/22/48/41/552224841.db2.gz JMTIVDWDQSEGIT-CJAUYULYSA-N 0 0 500.422 5.935 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002927263 552224854 /nfs/dbraw/zinc/22/48/54/552224854.db2.gz RBYVTKLESZCTFU-RCRUUEGKSA-N 0 0 562.493 7.150 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002927462 552225182 /nfs/dbraw/zinc/22/51/82/552225182.db2.gz JVHRMJASSYUKKW-VVFBEHOQSA-N 0 0 507.630 6.580 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000002955400 552230560 /nfs/dbraw/zinc/23/05/60/552230560.db2.gz MAYIAXLCPIYMKQ-WJOKGBTCSA-N 0 0 539.628 5.864 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 ZINC000003042986 552273626 /nfs/dbraw/zinc/27/36/26/552273626.db2.gz VIYJEMGWQCEOOS-SLMZUGIISA-N 0 0 527.875 5.902 50 30 KKEARN COc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 ZINC000003042945 552273635 /nfs/dbraw/zinc/27/36/35/552273635.db2.gz FSNJNGDFGZEZFD-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN Cc1ccccc1CN1C(=O)/C(=N\NC(=S)Nc2c(C)cccc2C)c2cc(Br)ccc21 ZINC000003043018 552274001 /nfs/dbraw/zinc/27/40/01/552274001.db2.gz HAQSYDAOKYJWHI-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN COc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000003043961 552274566 /nfs/dbraw/zinc/27/45/66/552274566.db2.gz JYNSVLUBQJFJCR-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN Cc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000003044015 552274864 /nfs/dbraw/zinc/27/48/64/552274864.db2.gz KPUQHDOJLLEIRD-MEFGMAGPSA-N 0 0 513.848 5.648 50 30 KKEARN COc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2cccc(C)c2)C1=O ZINC000003044267 552275154 /nfs/dbraw/zinc/27/51/54/552275154.db2.gz JGISCENEYWUUHJ-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN COc1c(/N=C/c2cc(Br)ccc2O)c(C)c(/N=C/c2cc(Br)ccc2O)cc1C(C)(C)C ZINC000003046851 552276160 /nfs/dbraw/zinc/27/61/60/552276160.db2.gz GCYDUZWROYZKJB-HZUVFDMRSA-N 0 0 574.313 7.739 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1O ZINC000003066528 552284994 /nfs/dbraw/zinc/28/49/94/552284994.db2.gz GDFQHWFOFHGJLE-BHGWPJFGSA-N 0 0 502.162 6.485 50 30 KKEARN O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003078916 552285383 /nfs/dbraw/zinc/28/53/83/552285383.db2.gz IXQHJGRIQHBESV-UHFFFAOYSA-N 0 0 524.339 8.059 50 30 KKEARN Cc1nn(-c2ccccc2)c(/N=C/c2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1 ZINC000003080022 552285493 /nfs/dbraw/zinc/28/54/93/552285493.db2.gz COLPCQSRFUBPNS-UZWMFBFFSA-N 0 0 522.446 7.940 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000003082615 552285505 /nfs/dbraw/zinc/28/55/05/552285505.db2.gz KLZFAUVVFSFSRJ-BIZUNTBRSA-N 0 0 509.558 6.510 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O ZINC000003083392 552285848 /nfs/dbraw/zinc/28/58/48/552285848.db2.gz XEHVCTCZRXEZII-KIBLKLHPSA-N 0 0 520.152 6.624 50 30 KKEARN COc1cc(-c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(OC)c2)ccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003085042 552286097 /nfs/dbraw/zinc/28/60/97/552286097.db2.gz RORBTVRJIDPKAU-IHXWQEJPSA-N 0 0 579.396 7.995 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2nc(-c3ccc(Br)cc3)oc2c1 ZINC000003085117 552286158 /nfs/dbraw/zinc/28/61/58/552286158.db2.gz DAWXPFTXAQPMNY-FOKLQQMPSA-N 0 0 519.136 6.318 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(I)cc3)cc2[N+](=O)[O-])cc1 ZINC000003089429 552286378 /nfs/dbraw/zinc/28/63/78/552286378.db2.gz CGEYMNYIJMOGSB-YDZHTSKRSA-N 0 0 502.264 5.178 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O ZINC000003089553 552286388 /nfs/dbraw/zinc/28/63/88/552286388.db2.gz VHINIIPXURPTKG-XODNFHPESA-N 0 0 558.270 7.782 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000003098513 552287967 /nfs/dbraw/zinc/28/79/67/552287967.db2.gz QSHQQKVEPAJLGG-IDISGSTGSA-N 0 0 520.467 6.687 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000003109008 552289257 /nfs/dbraw/zinc/28/92/57/552289257.db2.gz NHVXWJGDZPIBLR-JGCGQSQUSA-N 0 0 558.505 9.044 50 30 KKEARN CCOC(=O)c1cc(C#N)c(Sc2nnc(SCc3cccc(C(F)(F)F)c3)s2)nc1C(F)(F)F ZINC000003129620 552292125 /nfs/dbraw/zinc/29/21/25/552292125.db2.gz SAOGJDBBQXMAHC-UHFFFAOYSA-N 0 0 550.531 6.463 50 30 KKEARN CCOC(=O)c1cc(C#N)c(Sc2ccccc2NC(=O)Nc2cccc(C(F)(F)F)c2)nc1C(F)(F)F ZINC000003129657 552292131 /nfs/dbraw/zinc/29/21/31/552292131.db2.gz ZKYXNQXBOXVVEK-UHFFFAOYSA-N 0 0 554.472 6.963 50 30 KKEARN FC(F)(F)c1cc(NC(=S)N/N=C/c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000003131812 552292659 /nfs/dbraw/zinc/29/26/59/552292659.db2.gz SYHLBUUEIZZLPR-DPWJMMOYSA-N 0 0 540.920 7.846 50 30 KKEARN C(#CCSc1nnc(-c2ccco2)n1-c1ccccc1)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003143398 552296181 /nfs/dbraw/zinc/29/61/81/552296181.db2.gz IDCXHPPNLRBWLB-UHFFFAOYSA-N 0 0 536.642 6.256 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000003176833 552299805 /nfs/dbraw/zinc/29/98/05/552299805.db2.gz ICQJPDHSYAWLAF-GVAUOCQISA-N 0 0 561.810 6.229 50 30 KKEARN Cc1c(Sc2ccc([N+](=O)[O-])cc2)c2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003186601 552301393 /nfs/dbraw/zinc/30/13/93/552301393.db2.gz YRGDADKOVAGSJU-PBBVDAKRSA-N 0 0 527.627 6.533 50 30 KKEARN O=C1Nc2c(cc(Cl)cc2Cl)/C1=N\n1cnc2sc(Sc3ccccc3[N+](=O)[O-])c(-c3ccccc3)c2c1=O ZINC000003191238 552302403 /nfs/dbraw/zinc/30/24/03/552302403.db2.gz JNBVMKONLILZAJ-UHFFFAOYSA-N 0 0 594.461 6.696 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1ccc(F)cc1 ZINC000003211723 552305498 /nfs/dbraw/zinc/30/54/98/552305498.db2.gz QKJUOMJNYQOOBH-UHFFFAOYSA-N 0 0 525.605 6.464 50 30 aggregator KKEARN COc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000003223296 552311469 /nfs/dbraw/zinc/31/14/69/552311469.db2.gz PEVDFGCCRYAQSG-UHFFFAOYSA-N 0 0 551.093 5.981 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000003224086 552311777 /nfs/dbraw/zinc/31/17/77/552311777.db2.gz SBNDOIPKHHZSJT-UHFFFAOYSA-N 0 0 519.417 6.325 50 30 KKEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003238054 552317648 /nfs/dbraw/zinc/31/76/48/552317648.db2.gz IUPMECDAPHHUKF-UHFFFAOYSA-N 0 0 542.029 6.776 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000003243083 552319351 /nfs/dbraw/zinc/31/93/51/552319351.db2.gz CVSCRNDDCIJZAY-UHFFFAOYSA-N 0 0 537.663 5.458 50 30 KKEARN Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccncc1 ZINC000003248139 552321181 /nfs/dbraw/zinc/32/11/81/552321181.db2.gz HFAZXOXHNFLUMW-UHFFFAOYSA-N 0 0 535.098 6.224 50 30 KKEARN N#Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N(Cc3ccc(C#N)cc3)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000003251127 552322267 /nfs/dbraw/zinc/32/22/67/552322267.db2.gz RREKSCLAYUCHLR-UHFFFAOYSA-N 0 0 575.568 6.201 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000003266101 552328613 /nfs/dbraw/zinc/32/86/13/552328613.db2.gz ZZVIZXQJBJQXPJ-INIZCTEOSA-N 0 0 597.904 6.221 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cccs3)c2C(=O)OCC)nc2sc(-c3ccccc3)cc2c1=O ZINC000003267339 552330118 /nfs/dbraw/zinc/33/01/18/552330118.db2.gz BJIBHKQZLAPRKD-UHFFFAOYSA-N 0 0 593.777 7.009 50 30 KKEARN CN=C(Nc1sc(C(=O)OC)cc1[P@](=O)(Nc1ccc(C)c(Cl)c1)N1CCOCC1)c1ccccc1 ZINC000003268422 552330800 /nfs/dbraw/zinc/33/08/00/552330800.db2.gz SEQOPQNBLQLHAO-DHUJRADRSA-N 0 0 547.017 5.248 50 30 KKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000003270886 552331853 /nfs/dbraw/zinc/33/18/53/552331853.db2.gz FPSPTFKENWFVSV-UHFFFAOYSA-N 0 0 564.450 5.873 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000003272365 552332338 /nfs/dbraw/zinc/33/23/38/552332338.db2.gz HQLCYVLOKJFQGT-MFKUBSTISA-N 0 0 536.484 6.665 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cc(-n3c(N)c(C#N)c(C#N)c3-c3cccc(Cl)c3)ccc2N2CCCCC2)cc1 ZINC000003273260 552332844 /nfs/dbraw/zinc/33/28/44/552332844.db2.gz QHPIUINIKBVSPE-UHFFFAOYSA-N 0 0 587.105 5.923 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000003272937 552332893 /nfs/dbraw/zinc/33/28/93/552332893.db2.gz ADACNLVUMYVZQQ-QGZVFWFLSA-N 0 0 563.459 5.567 50 30 KKEARN C=CCn1c(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003282204 552336341 /nfs/dbraw/zinc/33/63/41/552336341.db2.gz RFPDHCLIGWAKHA-VWLOTQADSA-N 0 0 585.095 8.573 50 30 KKEARN N#Cc1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c([N+](=O)[O-])c2)sc2c1CCCCC2 ZINC000003287397 552338145 /nfs/dbraw/zinc/33/81/45/552338145.db2.gz KYUYXYBLHJCDFH-UHFFFAOYSA-N 0 0 559.673 6.504 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000003287526 552338469 /nfs/dbraw/zinc/33/84/69/552338469.db2.gz KCQAYZGETWBELZ-UHFFFAOYSA-N 0 0 521.378 5.640 50 30 KKEARN C=CCn1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1C ZINC000003296013 552343033 /nfs/dbraw/zinc/34/30/33/552343033.db2.gz YFZCZYPYLREJHO-UHFFFAOYSA-N 0 0 503.396 6.308 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1cccc(I)c1 ZINC000003296133 552343276 /nfs/dbraw/zinc/34/32/76/552343276.db2.gz ALDWVXHZLMHEQU-UHFFFAOYSA-N 0 0 514.344 5.110 50 30 KKEARN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000003296525 552343490 /nfs/dbraw/zinc/34/34/90/552343490.db2.gz CWQFGUTYUZHJJT-OUKQBFOZSA-N 0 0 563.701 5.309 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)ccc1Cl ZINC000003306467 552349224 /nfs/dbraw/zinc/34/92/24/552349224.db2.gz VERZZQADNQZXMI-UHFFFAOYSA-N 0 0 527.957 5.494 50 30 KKEARN COc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000003306535 552349540 /nfs/dbraw/zinc/34/95/40/552349540.db2.gz ZNSJCELQPAWTAW-UHFFFAOYSA-N 0 0 568.538 6.193 50 30 KKEARN C=CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000003308081 552350000 /nfs/dbraw/zinc/35/00/00/552350000.db2.gz YKWJJPFQTSPOOW-QHCPKHFHSA-N 0 0 538.094 6.267 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2cc(C(C)=O)ccc2OC)c1 ZINC000003309267 552350522 /nfs/dbraw/zinc/35/05/22/552350522.db2.gz SGFCVIUQTDEKHA-UHFFFAOYSA-N 0 0 513.999 5.290 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(C)=O)c1 ZINC000003311939 552352192 /nfs/dbraw/zinc/35/21/92/552352192.db2.gz FCZOJLGBPNEYST-UHFFFAOYSA-N 0 0 561.443 5.373 50 30 KKEARN CCCC1C/C(=C\c2cc(Br)ccc2OC)C(=O)/C(=C\c2cc(Br)ccc2OC)C1 ZINC000003316426 552353946 /nfs/dbraw/zinc/35/39/46/552353946.db2.gz MNKRVIOLKRZFEU-ZEDXCMECSA-N 0 0 534.288 7.475 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc(Cl)c2)c1 ZINC000003322386 552355711 /nfs/dbraw/zinc/35/57/11/552355711.db2.gz NVHVLORYVCDAIV-UHFFFAOYSA-N 0 0 537.943 5.780 50 30 KKEARN N#CC(Cc1cc(Cl)cc2c1OCOC2)(Cc1cc(Cl)cc2c1OCOC2)C(=O)NCCc1ccccc1 ZINC000003324745 552356555 /nfs/dbraw/zinc/35/65/55/552356555.db2.gz YTYCIYQXLCQIPY-UHFFFAOYSA-N 0 0 553.442 5.380 50 30 KKEARN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003328021 552357591 /nfs/dbraw/zinc/35/75/91/552357591.db2.gz BDMGDPXBBZGXOX-UHFFFAOYSA-N 0 0 518.570 5.821 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl ZINC000003331874 552359548 /nfs/dbraw/zinc/35/95/48/552359548.db2.gz SSXUEDLBFOIYNE-UHFFFAOYSA-N 0 0 505.379 5.356 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1[C@@](c1ccc(OC)cc1)(C(F)(F)F)N=C(Nc1ccc(C)cc1)O2 ZINC000003345060 552364443 /nfs/dbraw/zinc/36/44/43/552364443.db2.gz RVWMLMKRZYXLHK-MHZLTWQESA-N 0 0 536.510 5.452 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)Cc3cccs3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003357997 552369810 /nfs/dbraw/zinc/36/98/10/552369810.db2.gz OFSAZWSKFQUKKL-UHFFFAOYSA-N 0 0 502.548 5.288 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000003360623 552370878 /nfs/dbraw/zinc/37/08/78/552370878.db2.gz NNANFKUMWLFFMA-UHFFFAOYSA-N 0 0 524.627 5.493 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3cc(Br)c(Br)s3)sc2C1 ZINC000003362597 552371959 /nfs/dbraw/zinc/37/19/59/552371959.db2.gz SAVQLCJNHFJSLD-MRVPVSSYSA-N 0 0 518.252 5.127 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/NN=C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000003414433 552382532 /nfs/dbraw/zinc/38/25/32/552382532.db2.gz PSKXUVZDTZOVHH-HFTWOUSFSA-N 0 0 515.569 5.433 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3noc(-c4c(C)onc4-c4ccccc4Cl)n3)cc2)cc1 ZINC000003584682 552391595 /nfs/dbraw/zinc/39/15/95/552391595.db2.gz KZQZYTIICICWSU-UHFFFAOYSA-N 0 0 526.080 9.590 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(I)cc1 ZINC000003617550 552392675 /nfs/dbraw/zinc/39/26/75/552392675.db2.gz WUYQUZNSRAPRLN-VKEPEHDUSA-N 0 0 565.767 5.049 50 30 KKEARN CC1(C)NC(=S)NC[C@]12C[C@@H](c1cccs1)c1ccc3c(c1O2)Oc1cc(C#N)c(C#N)cc1O3 ZINC000003625410 552395621 /nfs/dbraw/zinc/39/56/21/552395621.db2.gz OUCPTLJGVQKBMP-WGDIFIGCSA-N 0 0 500.605 5.299 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1 ZINC000003633825 552398698 /nfs/dbraw/zinc/39/86/98/552398698.db2.gz CMBSTDIJTZALQO-PGUFJCEWSA-N 0 0 521.660 9.189 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)nc1C ZINC000003643528 552400881 /nfs/dbraw/zinc/40/08/81/552400881.db2.gz QCHIBNVERAQRCO-IBGZPJMESA-N 0 0 537.391 5.413 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000003643588 552400885 /nfs/dbraw/zinc/40/08/85/552400885.db2.gz XFOWRRNRZMUCMV-QFIPXVFZSA-N 0 0 500.576 5.774 50 30 KKEARN Cc1ccc(-c2nc(NC(=O)CSc3nc4c(c(-c5ccccc5)c3C#N)C(=O)CC(C)(C)C4)ns2)cc1 ZINC000003655234 552404057 /nfs/dbraw/zinc/40/40/57/552404057.db2.gz LWIJLVTXKQLXRV-UHFFFAOYSA-N 0 0 539.686 6.333 50 30 KKEARN O=C(OCC#CCSc1nnc(-c2cccc(Br)c2)o1)c1sc2ccccc2c1Cl ZINC000003655879 552404266 /nfs/dbraw/zinc/40/42/66/552404266.db2.gz ISYXSHCBGPKUEW-UHFFFAOYSA-N 0 0 519.829 6.320 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000003656102 552404812 /nfs/dbraw/zinc/40/48/12/552404812.db2.gz ZSSDKUNATVWZNX-HHHXNRCGSA-N 0 0 511.530 5.149 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1 ZINC000003663890 552408110 /nfs/dbraw/zinc/40/81/10/552408110.db2.gz MAGABBVFGDACBQ-HXUWFJFHSA-N 0 0 501.446 5.491 50 30 KKEARN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OCc2ccc(Cl)cc2)c1 ZINC000003664303 552408311 /nfs/dbraw/zinc/40/83/11/552408311.db2.gz VUUPTLKGXZRWNB-UHFFFAOYSA-N 0 0 562.150 8.165 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1)NCCOc1ccc(Cl)cc1 ZINC000003666325 552409244 /nfs/dbraw/zinc/40/92/44/552409244.db2.gz XSBAZOQCAXDFEQ-WCMJOSRZSA-N 0 0 548.089 6.846 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003667427 552409531 /nfs/dbraw/zinc/40/95/31/552409531.db2.gz CYHHOIGDPKQQOQ-UHFFFAOYSA-N 0 0 568.348 7.618 50 30 KKEARN Cc1ccc(CSc2nc3ccc(/N=C/c4ccc(I)cc4)cc3s2)c(C)c1 ZINC000003667478 552409696 /nfs/dbraw/zinc/40/96/96/552409696.db2.gz LKGRPAHAIGWGMO-DHRITJCHSA-N 0 0 514.457 7.561 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(Cl)c3n2)cc1 ZINC000003670827 552411979 /nfs/dbraw/zinc/41/19/79/552411979.db2.gz SDZVXWUYVLIHGO-UHFFFAOYSA-N 0 0 515.948 6.441 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)nnc1-c1csc2c1CCCC2 ZINC000003764232 552413794 /nfs/dbraw/zinc/41/37/94/552413794.db2.gz FJLPSICIAJOOLA-UHFFFAOYSA-N 0 0 542.155 6.503 50 30 KKEARN O=C(Nc1ccccc1)c1c(/N=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)sc2c1CCCC2 ZINC000003766138 552414573 /nfs/dbraw/zinc/41/45/73/552414573.db2.gz PPZCBIFQZFDRCC-QLQYKETESA-N 0 0 539.704 8.786 50 30 KKEARN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000003772328 552417803 /nfs/dbraw/zinc/41/78/03/552417803.db2.gz CMKUHBRNXIXMHI-GONGWJOBSA-N 0 0 543.692 5.776 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000003772236 552417828 /nfs/dbraw/zinc/41/78/28/552417828.db2.gz LFDZYHZYPREMLE-WNSROMTISA-N 0 0 588.714 9.484 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccccc2OCCCCOc2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004015251 552426503 /nfs/dbraw/zinc/42/65/03/552426503.db2.gz KXCCOCBVYDSMFC-RWRHWQIFSA-N 0 0 538.560 7.242 50 30 KKEARN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccc(N=Cc5ccccc5O)cc4)ccc3[nH]2)cc1)c1ccc(N=Cc2ccccc2O)cc1 ZINC000004017877 552428883 /nfs/dbraw/zinc/42/88/83/552428883.db2.gz XDDZWSRKPABJAJ-FFVIWPAXSA-N 0 0 670.729 8.647 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc(NCc3ccco3)n2)cc1 ZINC000004044880 552430571 /nfs/dbraw/zinc/43/05/71/552430571.db2.gz NFYQGBYWEMRVOG-PTEHHBOZSA-N 0 0 699.393 7.932 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3c(C)cccc3C)c2C#N)cc1OC ZINC000004046742 552431081 /nfs/dbraw/zinc/43/10/81/552431081.db2.gz HZZUIDVNBVUOMI-UHFFFAOYSA-N 0 0 523.658 7.042 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N ZINC000004046376 552431119 /nfs/dbraw/zinc/43/11/19/552431119.db2.gz LYSACBHROVZOHU-SFHVURJKSA-N 0 0 521.708 6.892 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cc(-c3nc4ncccc4o3)ccc2C)c1O ZINC000004046729 552431134 /nfs/dbraw/zinc/43/11/34/552431134.db2.gz ZKLYOUGWUDIWPZ-KBKYJPHKSA-N 0 0 531.204 6.578 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)nc1 ZINC000004048022 552431382 /nfs/dbraw/zinc/43/13/82/552431382.db2.gz JUEOUTNQGALKKE-PGGKNCGUSA-N 0 0 540.599 6.193 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc4ccccc4c2[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000004047750 552431396 /nfs/dbraw/zinc/43/13/96/552431396.db2.gz DWPOZSJVSMWDLS-PIIWDFAUSA-N 0 0 500.425 8.113 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(Cl)cc3)C4)ccc21 ZINC000004048075 552431442 /nfs/dbraw/zinc/43/14/42/552431442.db2.gz HNKOYZAXJSCCRS-NBLPZQPVSA-N 0 0 518.060 8.447 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2ccc(C)cc2)c(C)c1 ZINC000004063737 552431871 /nfs/dbraw/zinc/43/18/71/552431871.db2.gz VEOCHXQHBNIAOC-HEOGJXGISA-N 0 0 549.165 7.982 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004062186 552431876 /nfs/dbraw/zinc/43/18/76/552431876.db2.gz RQAQPZKIGPLBHS-PRSHQZNWSA-N 0 0 531.659 6.359 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004065689 552432381 /nfs/dbraw/zinc/43/23/81/552432381.db2.gz GBCCISHRAWTPDH-OOWIMERYSA-N 0 0 507.630 6.580 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004065526 552432468 /nfs/dbraw/zinc/43/24/68/552432468.db2.gz IZHBWZBKHCKFGO-MQNRADLISA-N 0 0 525.830 6.796 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000004067212 552432652 /nfs/dbraw/zinc/43/26/52/552432652.db2.gz RAMCUYJHJZKSFT-XMMPIXPASA-N 0 0 526.427 5.307 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068130 552433190 /nfs/dbraw/zinc/43/31/90/552433190.db2.gz WPCIETQUBPSGIM-WBBHLRKXSA-N 0 0 558.074 6.592 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004077798 552433340 /nfs/dbraw/zinc/43/33/40/552433340.db2.gz USFZCJNMTIVBHL-YHAMSUFESA-N 0 0 539.857 7.186 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004082324 552433862 /nfs/dbraw/zinc/43/38/62/552433862.db2.gz VZOCSQVGRSYATM-XDBZFTIUSA-N 0 0 516.594 5.709 50 30 KKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000004082647 552434146 /nfs/dbraw/zinc/43/41/46/552434146.db2.gz CGQMHJHGBQLKRT-UKPGIYTDSA-N 0 0 514.622 6.481 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2cccc(C)c2)c(C)c1 ZINC000004088776 552434428 /nfs/dbraw/zinc/43/44/28/552434428.db2.gz UXNOIOZSTVJSPH-HEOGJXGISA-N 0 0 549.165 7.982 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc(Br)cc2)c1 ZINC000004088836 552434483 /nfs/dbraw/zinc/43/44/83/552434483.db2.gz HANQZEASPSESEP-RMEKRLHFSA-N 0 0 542.911 7.590 50 30 KKEARN COc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004089417 552434642 /nfs/dbraw/zinc/43/46/42/552434642.db2.gz FKDKMJWKVJFKMU-CNPBBGJZSA-N 0 0 508.068 6.565 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3CCc3ccccc3)cc2s1 ZINC000004089394 552434711 /nfs/dbraw/zinc/43/47/11/552434711.db2.gz RFIBUTCHBNUQIZ-NPGLLJSBSA-N 0 0 514.701 6.822 50 30 KKEARN CC(=O)c1cccc(N=C2S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)c1 ZINC000004091127 552435162 /nfs/dbraw/zinc/43/51/62/552435162.db2.gz BEKJHUPABUTSAU-NPGLLJSBSA-N 0 0 520.079 6.759 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004091140 552435398 /nfs/dbraw/zinc/43/53/98/552435398.db2.gz IIXKXLVMWZYWMC-HEOGJXGISA-N 0 0 549.165 7.403 50 30 KKEARN CCN(CCO)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c(C)c1 ZINC000004105695 552436879 /nfs/dbraw/zinc/43/68/79/552436879.db2.gz JWZWQWLSNZJMBW-HGHKWBERSA-N 0 0 534.682 6.131 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc(Cl)c2)N(c2ccc(F)cc2)C1=O ZINC000004106227 552436896 /nfs/dbraw/zinc/43/68/96/552436896.db2.gz UDZZOFJJPSJTOO-JOCBWQILSA-N 0 0 502.423 7.311 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004105663 552436938 /nfs/dbraw/zinc/43/69/38/552436938.db2.gz MHUJYXVGDFOOTE-NPGLLJSBSA-N 0 0 504.656 6.851 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3ccc(F)cc3)ccc2s1 ZINC000004105649 552436942 /nfs/dbraw/zinc/43/69/42/552436942.db2.gz FOJNWDAASNOECC-ILRPLKKTSA-N 0 0 504.637 6.923 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Br)cc3)N(c3cccc(C)c3)C1=O)S2 ZINC000004105950 552436964 /nfs/dbraw/zinc/43/69/64/552436964.db2.gz CWWWILDXTKVVQG-SMTACHQSSA-N 0 0 538.492 6.945 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2C2CCCCC2)cc1 ZINC000004109250 552437652 /nfs/dbraw/zinc/43/76/52/552437652.db2.gz OVKDGJBIKOACTQ-DFQBUENJSA-N 0 0 523.680 6.179 50 30 KKEARN CCCC(=O)N1CCN(c2ccc(/N=C/c3c(O)c(OC)cc(Br)c3Br)cc2)CC1 ZINC000004121793 552439426 /nfs/dbraw/zinc/43/94/26/552439426.db2.gz FRKINRQSLXYOTR-AFUMVMLFSA-N 0 0 539.268 5.125 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc(C(C)=O)cc3)N(c3ccc(O)cc3)C1=O)S2 ZINC000004124792 552441893 /nfs/dbraw/zinc/44/18/93/552441893.db2.gz DGLPHFFKZICOHR-SCMILFJUSA-N 0 0 503.605 5.782 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1cc(OC)ccc1OC)CCCC2 ZINC000004391409 552458448 /nfs/dbraw/zinc/45/84/48/552458448.db2.gz CYKJNOYVZRTFEJ-RUZDIDTESA-N 0 0 564.704 5.673 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2)ccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004469105 552461656 /nfs/dbraw/zinc/46/16/56/552461656.db2.gz XCUZRFFIVOIHJG-IHXWQEJPSA-N 0 0 547.398 8.595 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2Cl)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000004531544 552463660 /nfs/dbraw/zinc/46/36/60/552463660.db2.gz VQDUNEOOWQBSRV-ADNFFOSISA-N 0 0 667.416 9.031 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000004531536 552463669 /nfs/dbraw/zinc/46/36/69/552463669.db2.gz XHNIYRRYQDMUPY-LEYWGUNPSA-N 0 0 589.688 6.435 50 30 KKEARN N#C[C@@H](c1cccc2ccccc21)[C@@H](CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000004546517 552465673 /nfs/dbraw/zinc/46/56/73/552465673.db2.gz XYOADJBZBNEWND-KYJUHHDHSA-N 0 0 504.427 8.419 50 30 KKEARN Brc1cc(Cc2cc(Br)c(OC[C@@H]3CO3)c(Br)c2)cc(Br)c1OC[C@@H]1CO1 ZINC000004552100 552466642 /nfs/dbraw/zinc/46/66/42/552466642.db2.gz GUGHYOFMFMXUQO-STQMWFEESA-N 0 0 627.949 5.883 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000004624929 552469156 /nfs/dbraw/zinc/46/91/56/552469156.db2.gz PWGOUDSTFIMIRN-HKBQPEDESA-N 0 0 529.592 6.833 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1 ZINC000004635177 552469473 /nfs/dbraw/zinc/46/94/73/552469473.db2.gz UFNXSJWHMGAORL-XMMPIXPASA-N 0 0 580.276 6.514 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1 ZINC000004635167 552469516 /nfs/dbraw/zinc/46/95/16/552469516.db2.gz NKFXRCAPQBJSLU-XMMPIXPASA-N 0 0 580.276 6.514 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635170 552469543 /nfs/dbraw/zinc/46/95/43/552469543.db2.gz GWQFRENXMTXLSH-MHZLTWQESA-N 0 0 543.461 6.875 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004636580 552469794 /nfs/dbraw/zinc/46/97/94/552469794.db2.gz JUSFGXVXEXPCFU-JOCHJYFZSA-N 0 0 506.977 6.687 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004637693 552469819 /nfs/dbraw/zinc/46/98/19/552469819.db2.gz RGUSTXFAWRTROG-FNZWTVRRSA-N 0 0 503.524 6.101 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004641084 552470017 /nfs/dbraw/zinc/47/00/17/552470017.db2.gz BVNWDXZYJLPNQO-HHHXNRCGSA-N 0 0 513.037 6.940 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788168 552482614 /nfs/dbraw/zinc/48/26/14/552482614.db2.gz IPTMHZIJYBNUBZ-UVMFRMCBSA-N 0 0 579.741 6.859 50 30 KKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000004793571 552485206 /nfs/dbraw/zinc/48/52/06/552485206.db2.gz ACRYYQZNGRMBJX-QFIPXVFZSA-N 0 0 550.522 6.642 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(=O)[nH]c(SCc3cccc([N+](=O)[O-])c3)nc1N2 ZINC000004793714 552485535 /nfs/dbraw/zinc/48/55/35/552485535.db2.gz BCDWTAMXNYJAIV-LJQANCHMSA-N 0 0 539.411 5.297 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[nH]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000004793631 552485589 /nfs/dbraw/zinc/48/55/89/552485589.db2.gz DXQRHEUNFNHHNT-FQEVSTJZSA-N 0 0 556.913 6.679 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C(=O)Nc2ncccc2C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004818096 552487545 /nfs/dbraw/zinc/48/75/45/552487545.db2.gz PSJCXRVRQDZKOC-JHOBJCJYSA-N 0 0 564.089 6.538 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355902 552498968 /nfs/dbraw/zinc/49/89/68/552498968.db2.gz UHNPQBGQBUFRRV-QFIPXVFZSA-N 0 0 520.607 5.508 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005356942 552499155 /nfs/dbraw/zinc/49/91/55/552499155.db2.gz RVOZNHLHNYRTIM-NRFANRHFSA-N 0 0 539.053 6.362 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000005431927 552501945 /nfs/dbraw/zinc/50/19/45/552501945.db2.gz MVTQTQOWBAGXBC-BNHRFMORSA-N 0 0 551.687 6.079 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005917848 552511775 /nfs/dbraw/zinc/51/17/75/552511775.db2.gz ABEVQNBAKIDVEZ-MHZLTWQESA-N 0 0 584.141 7.495 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918806 552511989 /nfs/dbraw/zinc/51/19/89/552511989.db2.gz VXJKOMADERUPBC-XRHLQHRESA-N 0 0 517.578 5.569 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918861 552512073 /nfs/dbraw/zinc/51/20/73/552512073.db2.gz BDPQJGLNIAYRPN-DEOSSOPVSA-N 0 0 540.410 6.008 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccncc3)C2)cc1 ZINC000005944490 552514617 /nfs/dbraw/zinc/51/46/17/552514617.db2.gz NADIXNQVDDVWMY-NYFMKLKXSA-N 0 0 527.668 7.594 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000005944498 552514649 /nfs/dbraw/zinc/51/46/49/552514649.db2.gz VTGSPUMAADDXIP-FWUCURJTSA-N 0 0 558.644 8.314 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccncc3)C2)cc1 ZINC000005944496 552514700 /nfs/dbraw/zinc/51/47/00/552514700.db2.gz NADIXNQVDDVWMY-UTONBFNKSA-N 0 0 527.668 7.594 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccncc3)C2)cc1 ZINC000005944508 552514722 /nfs/dbraw/zinc/51/47/22/552514722.db2.gz NADIXNQVDDVWMY-OOOSNSGVSA-N 0 0 527.668 7.594 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000006075246 552527216 /nfs/dbraw/zinc/52/72/16/552527216.db2.gz TVFRHLCQWWYLBR-OAHLLOKOSA-N 0 0 602.480 7.514 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006077114 552528450 /nfs/dbraw/zinc/52/84/50/552528450.db2.gz NCBZUJGUOUXGNS-HKBQPEDESA-N 0 0 607.375 9.798 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C\C=C1\S/C(=N\c2ccc(Oc3ccccc3)cc2)N(CC)C1=O ZINC000006089154 552530975 /nfs/dbraw/zinc/53/09/75/552530975.db2.gz 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CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008384793 552990061 /nfs/dbraw/zinc/99/00/61/552990061.db2.gz JMJUELIXBYXLOR-JGCGQSQUSA-N 0 0 507.678 6.919 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@H](CC(=O)Nc4ccc(I)cc4)C(=O)N3CC)ccc21 ZINC000008385189 552990612 /nfs/dbraw/zinc/99/06/12/552990612.db2.gz YTJGAEUXBJVUAX-IHMZUKPYSA-N 0 0 596.494 6.399 50 30 KKEARN CCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000008385713 552991093 /nfs/dbraw/zinc/99/10/93/552991093.db2.gz VXFRTHCNYFFLOY-QWOOXDRHSA-N 0 0 633.807 7.313 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\CCCCCCCCCCCCCCCCCC ZINC000008386509 552992062 /nfs/dbraw/zinc/99/20/62/552992062.db2.gz NUMZKRGEDBVNMF-XSFASMNZSA-N 0 0 585.924 9.785 50 30 KKEARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008386920 552992792 /nfs/dbraw/zinc/99/27/92/552992792.db2.gz XVYSOPHDJBJNHA-YTTGMZPUSA-N 0 0 627.763 7.042 50 30 KKEARN C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Br)cc1 ZINC000008387386 552993873 /nfs/dbraw/zinc/99/38/73/552993873.db2.gz LPTVYLCKRUQPAM-MNBJERMJSA-N 0 0 514.379 6.627 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000008396265 552995071 /nfs/dbraw/zinc/99/50/71/552995071.db2.gz QDWGTPJPADWNIG-XKZIYDEJSA-N 0 0 541.456 6.262 50 30 KKEARN Cc1ccc(N2C(=S)N=C(N[C@H](/C=C/c3ccc(Cl)cc3Cl)C(C)(C)C)C23CCCCC3)cc1Cl ZINC000008397740 552997422 /nfs/dbraw/zinc/99/74/22/552997422.db2.gz OTUZZEMOOCHUSR-XOJVXBCLSA-N 0 0 549.011 8.879 50 30 KKEARN Cc1ccc(N2C(=S)N=C(N[C@@H](/C=C/c3ccc(Cl)cc3Cl)C(C)(C)C)C23CCCCC3)cc1Cl ZINC000008397738 552997457 /nfs/dbraw/zinc/99/74/57/552997457.db2.gz OTUZZEMOOCHUSR-MURVUTHMSA-N 0 0 549.011 8.879 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(N)=O)C1 ZINC000008397974 552997926 /nfs/dbraw/zinc/99/79/26/552997926.db2.gz 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YNYPROHEQUUPMB-JMJMRPKZSA-N 0 0 564.779 10.291 50 30 KKEARN Cc1ccc(S(=O)(=O)NC(=N/c2ccccc2)/C(=N/c2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008399381 553001091 /nfs/dbraw/zinc/00/10/91/553001091.db2.gz NONREFTVCCKPLR-UHFFFAOYSA-N 0 0 546.674 5.021 50 30 KKEARN Cc1ccc(NC(=N[C@H](Cc2ccccc2)c2ccccc2)C(=N[C@@H](Cc2ccccc2)c2ccccc2)Nc2ccc(C)cc2)cc1 ZINC000008399433 553001346 /nfs/dbraw/zinc/00/13/46/553001346.db2.gz LQOYLLXAGBJJLN-ZRKBJOGQSA-N 0 0 626.848 10.211 50 30 KKEARN CCCC[C@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000008400511 553004721 /nfs/dbraw/zinc/00/47/21/553004721.db2.gz XWJCFEYDAIPLBZ-SZMVHAFZSA-N 0 0 603.358 5.399 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000008400694 553005187 /nfs/dbraw/zinc/00/51/87/553005187.db2.gz XXQTYFJRXWYYRF-YSMPRRRNSA-N 0 0 514.578 6.250 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O ZINC000008400730 553005388 /nfs/dbraw/zinc/00/53/88/553005388.db2.gz 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5.486 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008414788 553010599 /nfs/dbraw/zinc/01/05/99/553010599.db2.gz AUFCNJSDJNOYJO-XMMPIXPASA-N 0 0 514.544 5.965 50 30 KKEARN N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)CCCCCC2 ZINC000008415511 553010989 /nfs/dbraw/zinc/01/09/89/553010989.db2.gz YCNHMODRGLVDMY-UHFFFAOYSA-N 0 0 525.621 7.553 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008415339 553011024 /nfs/dbraw/zinc/01/10/24/553011024.db2.gz KSWMUYDTVOGSJI-HSZRJFAPSA-N 0 0 535.031 7.323 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008415996 553011583 /nfs/dbraw/zinc/01/15/83/553011583.db2.gz WVVSWHRKCNRXOK-AMDXRBSFSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000008416407 553012242 /nfs/dbraw/zinc/01/22/42/553012242.db2.gz GPCLOEKABHCKNH-SDUSCBPUSA-N 0 0 568.464 5.172 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(C)c(CC(=O)c3ccc(Br)cc3)c(C)c2C#N)c1C ZINC000008416428 553012255 /nfs/dbraw/zinc/01/22/55/553012255.db2.gz SLQQEMUKTPBLMH-UHFFFAOYSA-N 0 0 522.468 6.106 50 30 KKEARN CC[C@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@H](C)c1ccccc1 ZINC000008416677 553012261 /nfs/dbraw/zinc/01/22/61/553012261.db2.gz HYOQGNNTDRWLMX-PBBNMVCDSA-N 0 0 537.685 7.053 50 30 KKEARN CC[C@H](Sc1nc(-c2ccccc2)cc(-c2cccc(OC)c2OC)c1C#N)C(=O)N[C@@H](C)c1ccccc1 ZINC000008416668 553012271 /nfs/dbraw/zinc/01/22/71/553012271.db2.gz HYOQGNNTDRWLMX-LGGPFLRQSA-N 0 0 537.685 7.053 50 30 KKEARN COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(C#N)cc3)N(c3ccccc3)C2=O)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000008416866 553012493 /nfs/dbraw/zinc/01/24/93/553012493.db2.gz WJXYKAIJXAWAPJ-UXHLAJHPSA-N 0 0 637.161 7.532 50 30 KKEARN CCCCCCCCCCCCSC1=C(SCCCCCCCCCCCC)C(=O)c2ccccc2C1=O ZINC000008417342 553013020 /nfs/dbraw/zinc/01/30/20/553013020.db2.gz BCNILLKSUTZMPF-UHFFFAOYSA-N 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PLCCMPTUWWOGAQ-MHBLHXNPSA-N 0 0 614.580 7.887 50 30 KKEARN CCCCCCCCOc1ccc(-c2cc(C)nc(-c3ccc(OCCCCCCCC)cc3)c2)cc1 ZINC000008427068 553019355 /nfs/dbraw/zinc/01/93/55/553019355.db2.gz BWYIKTQCXABEGC-UHFFFAOYSA-N 0 0 501.755 10.203 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1I ZINC000008427313 553019919 /nfs/dbraw/zinc/01/99/19/553019919.db2.gz MMXGNNJKWGPYJK-NBKNYSPXSA-N 0 0 585.489 6.478 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc3ccccc3n2)cc1 ZINC000008427527 553020091 /nfs/dbraw/zinc/02/00/91/553020091.db2.gz RJBNLKOTFOUXMI-SXZDHJFLSA-N 0 0 524.664 8.634 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2cccc(Br)c2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008427569 553020255 /nfs/dbraw/zinc/02/02/55/553020255.db2.gz RPHAATKHABHPFC-YZSQISJMSA-N 0 0 541.454 6.139 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)c1 ZINC000008430566 553021723 /nfs/dbraw/zinc/02/17/23/553021723.db2.gz QYLWHHKLGKVTFH-OQRWROFFSA-N 0 0 519.395 6.166 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)c1 ZINC000008430559 553021742 /nfs/dbraw/zinc/02/17/42/553021742.db2.gz KDVDUBZMLVQCEA-RBBQXQBVSA-N 0 0 502.614 7.254 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)c1 ZINC000008430562 553021745 /nfs/dbraw/zinc/02/17/45/553021745.db2.gz KDVDUBZMLVQCEA-GJBXTBEHSA-N 0 0 502.614 7.254 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)c1 ZINC000008430564 553021748 /nfs/dbraw/zinc/02/17/48/553021748.db2.gz QYLWHHKLGKVTFH-JWIGPWBQSA-N 0 0 519.395 6.166 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008431123 553022431 /nfs/dbraw/zinc/02/24/31/553022431.db2.gz DSOCIAZTFLTVEI-CDUMQCFASA-N 0 0 825.208 10.556 50 30 KKEARN C=C1[C@@H](C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008431392 553022906 /nfs/dbraw/zinc/02/29/06/553022906.db2.gz CTQDSJRNXOQIJW-LOYHVIPDSA-N 0 0 630.748 5.284 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000008432182 553025477 /nfs/dbraw/zinc/02/54/77/553025477.db2.gz QXTHUCWQQGHXBX-OOXUFLSTSA-N 0 0 544.651 7.227 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008433083 553028011 /nfs/dbraw/zinc/02/80/11/553028011.db2.gz OXHAKRSVPWRXSM-KCEHZKJRSA-N 0 0 587.478 8.356 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008433090 553028016 /nfs/dbraw/zinc/02/80/16/553028016.db2.gz GYJZENLFTVUQFY-HZAQMHFWSA-N 0 0 590.532 8.670 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433280 553028580 /nfs/dbraw/zinc/02/85/80/553028580.db2.gz DJOHXYKSEGUAKQ-DEOSSOPVSA-N 0 0 548.661 6.242 50 30 KKEARN COc1cc(-c2nc3ccccn3c2/N=C/c2cc(I)cc(I)c2OC)ccc1O ZINC000008434963 553029617 /nfs/dbraw/zinc/02/96/17/553029617.db2.gz TVEVZFROUQSUDU-BRJLIKDPSA-N 0 0 625.204 5.684 50 30 KKEARN COc1ccc(C=CC(=O)[C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@H]2c2ccccc2)c(Br)c1OC ZINC000008435289 553030141 /nfs/dbraw/zinc/03/01/41/553030141.db2.gz OSUJTIBCMPTRBQ-KVCRWRNESA-N 0 0 537.366 5.357 50 30 KKEARN N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000008440492 553037703 /nfs/dbraw/zinc/03/77/03/553037703.db2.gz WOEWXHOURJIXRF-UHFFFAOYSA-N 0 0 520.654 6.914 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1cccc(Cl)c1Cl ZINC000008440576 553037848 /nfs/dbraw/zinc/03/78/48/553037848.db2.gz QCFRDNJCHCYCRI-MHZLTWQESA-N 0 0 578.496 6.891 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccccc1C(N)=O ZINC000008440532 553037879 /nfs/dbraw/zinc/03/78/79/553037879.db2.gz UCVIDCVLMTYGPY-IJAHGLKVSA-N 0 0 628.729 6.077 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1cccc(Cl)c1Cl ZINC000008440570 553037921 /nfs/dbraw/zinc/03/79/21/553037921.db2.gz QCFRDNJCHCYCRI-HHHXNRCGSA-N 0 0 578.496 6.891 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008440649 553038220 /nfs/dbraw/zinc/03/82/20/553038220.db2.gz PRDNVQXFLDZIEX-MHZLTWQESA-N 0 0 535.568 5.037 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008440831 553038734 /nfs/dbraw/zinc/03/87/34/553038734.db2.gz PLHNTQXRPRUIKY-SANMLTNESA-N 0 0 544.401 6.400 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Oc3cccc(OC)c3)n2)cc1 ZINC000008441166 553039760 /nfs/dbraw/zinc/03/97/60/553039760.db2.gz QGNKRLRMFWZIEP-UHFFFAOYSA-N 0 0 512.587 6.011 50 30 KKEARN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1 ZINC000008441191 553039811 /nfs/dbraw/zinc/03/98/11/553039811.db2.gz JXQDIUCFYXJTTP-UHFFFAOYSA-N 0 0 505.687 7.932 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2C#N)cc1OC ZINC000008441203 553039833 /nfs/dbraw/zinc/03/98/33/553039833.db2.gz GWFXBGRJIOVLKA-UHFFFAOYSA-N 0 0 549.574 7.054 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008441337 553040419 /nfs/dbraw/zinc/04/04/19/553040419.db2.gz QRGMIAVUMTVLOJ-UHFFFAOYSA-N 0 0 509.631 6.598 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccccc3C)c2C#N)cc1OC ZINC000008441453 553040708 /nfs/dbraw/zinc/04/07/08/553040708.db2.gz ZJELFNFYXOZBTQ-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000008441473 553040959 /nfs/dbraw/zinc/04/09/59/553040959.db2.gz NKVCWTQAJXLLBS-LFQQERRSSA-N 0 0 525.601 5.346 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C ZINC000008441701 553041766 /nfs/dbraw/zinc/04/17/66/553041766.db2.gz LLBWZOFYHLGCIC-SANMLTNESA-N 0 0 512.021 6.452 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441710 553041857 /nfs/dbraw/zinc/04/18/57/553041857.db2.gz WTSQRMUIKCLZEM-MHZLTWQESA-N 0 0 536.609 7.007 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccccc2Cl)c(CC)s1 ZINC000008441770 553042259 /nfs/dbraw/zinc/04/22/59/553042259.db2.gz CSDNPNYGMOWZDL-SANMLTNESA-N 0 0 514.087 6.710 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441782 553042487 /nfs/dbraw/zinc/04/24/87/553042487.db2.gz PIAVIMXJHAWGDP-PMERELPUSA-N 0 0 631.779 8.810 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@]3(O)CCCC[C@@H]3SCc3ccccc3)c2C#N)cc1 ZINC000008442342 553043387 /nfs/dbraw/zinc/04/33/87/553043387.db2.gz SUUQYJLQKAZHPC-CQTOTRCISA-N 0 0 536.766 8.295 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@@H]1c1cccs1 ZINC000008443271 553045884 /nfs/dbraw/zinc/04/58/84/553045884.db2.gz BLWNPMFUVICTHA-VKSQQWFDSA-N 0 0 712.647 6.219 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccccc3)N4)sc2C1 ZINC000008443639 553047289 /nfs/dbraw/zinc/04/72/89/553047289.db2.gz GMIFYSKWKPIXRO-DKZVUGQWSA-N 0 0 527.616 6.880 50 30 KKEARN CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000008443986 553048850 /nfs/dbraw/zinc/04/88/50/553048850.db2.gz RTQRCAQTOGGVMY-DEOSSOPVSA-N 0 0 502.533 6.189 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000008444369 553050186 /nfs/dbraw/zinc/05/01/86/553050186.db2.gz ZRELIVGMLSNTFN-NGHQTVFFSA-N 0 0 519.465 7.805 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000008444434 553050282 /nfs/dbraw/zinc/05/02/82/553050282.db2.gz MRSGGROIUGJYID-UXCMTWRGSA-N 0 0 535.732 8.014 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000008444436 553050321 /nfs/dbraw/zinc/05/03/21/553050321.db2.gz NKNTXUAWJIGWJT-YHZWMNSLSA-N 0 0 565.758 8.022 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444390 553050329 /nfs/dbraw/zinc/05/03/29/553050329.db2.gz SQNLOVGMGPBLCH-URNDWHGUSA-N 0 0 559.685 7.886 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008444789 553051632 /nfs/dbraw/zinc/05/16/32/553051632.db2.gz ADCGQPSAWYLLHB-HNVAQCFTSA-N 0 0 771.608 6.139 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000008444877 553052177 /nfs/dbraw/zinc/05/21/77/553052177.db2.gz HQCOPNNCNJLXAW-PLMBTIQCSA-N 0 0 646.596 6.679 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008445056 553052906 /nfs/dbraw/zinc/05/29/06/553052906.db2.gz CUUBOOGZSDIXGV-JPQMRUPTSA-N 0 0 539.632 7.084 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008445040 553052911 /nfs/dbraw/zinc/05/29/11/553052911.db2.gz COEMBAIQPMCBAO-KLFBTDGFSA-N 0 0 576.696 8.480 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008445100 553053124 /nfs/dbraw/zinc/05/31/24/553053124.db2.gz WNQZKLOIWQPZNA-QNLPTKCRSA-N 0 0 545.595 6.818 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008445108 553053178 /nfs/dbraw/zinc/05/31/78/553053178.db2.gz WDTNHCDLAXJEON-PVAZPRTOSA-N 0 0 569.658 7.093 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000008445133 553053403 /nfs/dbraw/zinc/05/34/03/553053403.db2.gz PLUWBBVOAUSTMD-WKRVVKTRSA-N 0 0 544.051 7.729 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CCCCCC2)C(F)(F)F ZINC000008445397 553054207 /nfs/dbraw/zinc/05/42/07/553054207.db2.gz OLQWSZKZRAPAIM-JOCHJYFZSA-N 0 0 513.969 5.596 50 30 KKEARN CC(C)(C)C1CCC2(CC1)C(Nc1cccc(C(F)(F)F)c1)=NC(=S)N2c1ccc(Br)cc1 ZINC000008445531 553054512 /nfs/dbraw/zinc/05/45/12/553054512.db2.gz IHZQKKVWGHRCFJ-UHFFFAOYSA-N 0 0 538.477 7.868 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3Cl)c2C#N)cc1 ZINC000008445782 553054943 /nfs/dbraw/zinc/05/49/43/553054943.db2.gz LIIDAJZULJLQCB-UHFFFAOYSA-N 0 0 514.050 7.379 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccccc3Cl)c2C#N)cc1OC ZINC000008445841 553055173 /nfs/dbraw/zinc/05/51/73/553055173.db2.gz HUFBKKPIPNCQFN-UHFFFAOYSA-N 0 0 530.049 6.997 50 30 KKEARN CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O ZINC000008449125 553057011 /nfs/dbraw/zinc/05/70/11/553057011.db2.gz MPMMDYHYUUORFE-UHFFFAOYSA-N 0 0 505.699 8.434 50 30 KKEARN CCCCCCCCCCOC(=O)CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449109 553057021 /nfs/dbraw/zinc/05/70/21/553057021.db2.gz JDQYLVYYRXZPHS-FBVYBBNNSA-N 0 0 529.721 7.123 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1CSc1ccccc1 ZINC000008450304 553057987 /nfs/dbraw/zinc/05/79/87/553057987.db2.gz PCJYYZFXQFRWAI-SSEXGKCCSA-N 0 0 553.728 6.934 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(Cl)c1Cl ZINC000008450314 553058060 /nfs/dbraw/zinc/05/80/60/553058060.db2.gz DBDXBVNBSQCNPE-MUUNZHRXSA-N 0 0 671.419 7.981 50 30 KKEARN NC(=O)Cn1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCCC3)C2=O)c2cc(Br)ccc21 ZINC000008450503 553058506 /nfs/dbraw/zinc/05/85/06/553058506.db2.gz MASXJRSBFOFEOT-BXBQQLAMSA-N 0 0 551.510 6.216 50 30 KKEARN COc1ccccc1/N=C1/S/C(=C\c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000008450514 553058526 /nfs/dbraw/zinc/05/85/26/553058526.db2.gz PWXXTXNYMAJUPS-PWAQPPSSSA-N 0 0 604.776 7.566 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C2=N)S1 ZINC000008450614 553058769 /nfs/dbraw/zinc/05/87/69/553058769.db2.gz GKOXJMFSLOBFQN-QJBIZGQHSA-N 0 0 543.693 6.709 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N ZINC000008450667 553059005 /nfs/dbraw/zinc/05/90/05/553059005.db2.gz LQVZREWLWROHJD-UHFFFAOYSA-N 0 0 622.548 7.926 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008450853 553059452 /nfs/dbraw/zinc/05/94/52/553059452.db2.gz TYEXOVCCGDDLER-SLGOVJDISA-N 0 0 550.014 7.463 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008450862 553059496 /nfs/dbraw/zinc/05/94/96/553059496.db2.gz ZQFLMJNTMHUAJG-UGDMGKLASA-N 0 0 544.051 7.729 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(-c3ccsc3)c1C#N)CCC2 ZINC000008451139 553060361 /nfs/dbraw/zinc/06/03/61/553060361.db2.gz ZEQHLYBKORTKLZ-UHFFFAOYSA-N 0 0 551.740 6.868 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1sc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)c3c1N)CCCC2 ZINC000008451247 553060526 /nfs/dbraw/zinc/06/05/26/553060526.db2.gz VCWQCBBDJVSAFT-UHFFFAOYSA-N 0 0 542.564 6.357 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452864 553064918 /nfs/dbraw/zinc/06/49/18/553064918.db2.gz YDTQSAHKZDSFRS-JIPJREARSA-N 0 0 516.575 5.554 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452867 553064944 /nfs/dbraw/zinc/06/49/44/553064944.db2.gz QCISUUVOXYXVPI-ACGZYKHZSA-N 0 0 556.684 7.146 50 30 KKEARN C=CCc1ccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000008453110 553065419 /nfs/dbraw/zinc/06/54/19/553065419.db2.gz OKKFEZOXLKPDNX-KGPFKZPSSA-N 0 0 647.551 6.320 50 30 KKEARN CCCCCCCCCCCCCCCNc1c2cc(Br)ccc2nc2c1C(=O)CC(C)(C)C2 ZINC000008453937 553067196 /nfs/dbraw/zinc/06/71/96/553067196.db2.gz VYDSGANMYSVZAF-UHFFFAOYSA-N 0 0 529.607 9.656 50 30 KKEARN CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(Oc3nccc(Nc4ccccc4)c3C#N)cc21 ZINC000008453849 553067203 /nfs/dbraw/zinc/06/72/03/553067203.db2.gz PBFNRWAJALBWSH-UHFFFAOYSA-N 0 0 567.443 7.681 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cn(Cc5ccccc5C#N)c5ccccc45)c(=O)n32)c1 ZINC000008454139 553067837 /nfs/dbraw/zinc/06/78/37/553067837.db2.gz RHMJEPHIPKPMSN-RPNYXGFOSA-N 0 0 635.749 5.757 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4Cl)c3C#N)c3ccccc3n2)c1 ZINC000008454347 553068317 /nfs/dbraw/zinc/06/83/17/553068317.db2.gz SWSZUTXQWADGFO-UHFFFAOYSA-N 0 0 544.463 8.460 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000008454633 553069360 /nfs/dbraw/zinc/06/93/60/553069360.db2.gz RBVUIWVCLSYSBF-FAUAPOEHSA-N 0 0 544.642 7.589 50 30 KKEARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3n2)cc1 ZINC000008454750 553069524 /nfs/dbraw/zinc/06/95/24/553069524.db2.gz WHOSJYIFRZHVIE-UHFFFAOYSA-N 0 0 622.444 6.815 50 30 KKEARN CCCOc1c(Cl)cc(/C=C2\CCC/C(=C/c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OCC ZINC000008455809 553073818 /nfs/dbraw/zinc/07/38/18/553073818.db2.gz JDIHBTRLMQLRJQ-OQRYGUKSSA-N 0 0 547.519 8.588 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)sc2C1 ZINC000008455812 553073843 /nfs/dbraw/zinc/07/38/43/553073843.db2.gz RWQXCJPWFMWJPX-AUJRIZCKSA-N 0 0 533.645 6.941 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008455840 553073892 /nfs/dbraw/zinc/07/38/92/553073892.db2.gz IZLLPMLNHRTFFU-CDHAZOANSA-N 0 0 612.541 7.704 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]3C(F)(F)F)CCCC2 ZINC000008455860 553073998 /nfs/dbraw/zinc/07/39/98/553073998.db2.gz OODAWVXUHZKNGA-WBVHZDCISA-N 0 0 584.849 7.024 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000008456850 553074888 /nfs/dbraw/zinc/07/48/88/553074888.db2.gz AWYHUOMJNIXQMH-HKBQPEDESA-N 0 0 531.656 6.722 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2Br)cc1Cl ZINC000008461804 553075188 /nfs/dbraw/zinc/07/51/88/553075188.db2.gz PBASMLFGTQZYEA-UHFFFAOYSA-N 0 0 626.975 7.829 50 30 KKEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(OCC)c(OCc4ccccc4)cc3Br)C(=O)N2C)cc1 ZINC000008461767 553075194 /nfs/dbraw/zinc/07/51/94/553075194.db2.gz VJUKVFNMGUHKGP-LGUMZPBXSA-N 0 0 595.515 6.837 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000008461800 553075195 /nfs/dbraw/zinc/07/51/95/553075195.db2.gz HSVNRERUAWWPBB-UHFFFAOYSA-N 0 0 639.620 7.651 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)C2=C1CCCC2=O ZINC000008461839 553075388 /nfs/dbraw/zinc/07/53/88/553075388.db2.gz RYBOHAOXEXMSDE-UHFFFAOYSA-N 0 0 627.963 6.870 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000008461824 553075391 /nfs/dbraw/zinc/07/53/91/553075391.db2.gz XKBFVLCMEVTYDL-UHFFFAOYSA-N 0 0 608.529 6.875 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000008461823 553075403 /nfs/dbraw/zinc/07/54/03/553075403.db2.gz ZRMHEHRYLPVKLS-UHFFFAOYSA-N 0 0 622.556 7.184 50 30 KKEARN Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000008492908 553076047 /nfs/dbraw/zinc/07/60/47/553076047.db2.gz HUZBPJMSJFGEOX-FDAWAROLSA-N 0 0 570.525 5.899 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1OCC ZINC000008493002 553076135 /nfs/dbraw/zinc/07/61/35/553076135.db2.gz IPJACSGAAXRTFI-STKMKYKTSA-N 0 0 636.595 5.866 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000008495995 553077310 /nfs/dbraw/zinc/07/73/10/553077310.db2.gz FLWODWGEPBYYQW-CCDSKFFISA-N 0 0 505.596 5.057 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc1OC ZINC000008496028 553077339 /nfs/dbraw/zinc/07/73/39/553077339.db2.gz RHCCLLMZNWOGCC-XQWBAOJFSA-N 0 0 601.466 5.653 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)CS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008589849 553081524 /nfs/dbraw/zinc/08/15/24/553081524.db2.gz ZRFAGGLFSOCOMY-VWLOTQADSA-N 0 0 514.672 5.664 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Br)cc3)n1Cc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000008617131 553102671 /nfs/dbraw/zinc/10/26/71/553102671.db2.gz BWPUQQDAUPVCEU-BIZUNTBRSA-N 0 0 539.477 6.535 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000008626316 553103861 /nfs/dbraw/zinc/10/38/61/553103861.db2.gz VMBAQEFIDIAHEA-UHFFFAOYSA-N 0 0 505.426 7.578 50 30 KKEARN CC(C=NOCC#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000008626625 553104173 /nfs/dbraw/zinc/10/41/73/553104173.db2.gz QIKOARXMRHTQRZ-PQDIMCTJSA-N 0 0 530.683 7.526 50 30 KKEARN O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000008636725 553105479 /nfs/dbraw/zinc/10/54/79/553105479.db2.gz WRDCYADZDOIUIX-WKULSOCRSA-N 0 0 504.531 5.526 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccncc4)n3Cc3ccccc3)sc2C1 ZINC000008636908 553105565 /nfs/dbraw/zinc/10/55/65/553105565.db2.gz HJKZGASXCMWJGK-KRWDZBQOSA-N 0 0 500.653 5.177 50 30 KKEARN Cc1cc(C)c2c(n1)sc1c2ncn(/N=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000008636835 553105610 /nfs/dbraw/zinc/10/56/10/553105610.db2.gz UDGIIPSFTYWLSJ-VFLNYLIXSA-N 0 0 521.562 5.266 50 30 KKEARN Cc1ccc(C(NCCc2c[nH]c3ccc(F)cc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695163 553121180 /nfs/dbraw/zinc/12/11/80/553121180.db2.gz AQBSPSISVTWRHC-WWIWEHRJSA-N 0 0 558.613 6.463 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000008695573 553122168 /nfs/dbraw/zinc/12/21/68/553122168.db2.gz CQCWNWDQEVCYEO-JPZYQRIQSA-N 0 0 533.499 8.474 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695597 553122183 /nfs/dbraw/zinc/12/21/83/553122183.db2.gz FBDPOSQCOIOTCW-BCHFMIIMSA-N 0 0 510.943 7.111 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000008756445 553135972 /nfs/dbraw/zinc/13/59/72/553135972.db2.gz PDIOPRJTKIVOGS-DNOBIOAJSA-N 0 0 556.968 6.820 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008766790 553139076 /nfs/dbraw/zinc/13/90/76/553139076.db2.gz FPEQESNVIKODGI-AFJIDDCJSA-N 0 0 520.551 7.025 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000008775575 553142264 /nfs/dbraw/zinc/14/22/64/553142264.db2.gz HRXWHOWQWBBGOL-SANMLTNESA-N 0 0 561.432 5.769 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008775469 553142364 /nfs/dbraw/zinc/14/23/64/553142364.db2.gz VAMFYWOANXSMAH-MHZLTWQESA-N 0 0 512.562 5.015 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000008780638 553144215 /nfs/dbraw/zinc/14/42/15/553144215.db2.gz FFADTWNXPGLRJO-IDISGSTGSA-N 0 0 507.652 5.449 50 30 KKEARN COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c([C@@H](C#N)c4ccc(Cl)cc4)cc3C)CC2=O)cc1 ZINC000008782411 553144687 /nfs/dbraw/zinc/14/46/87/553144687.db2.gz OAESAJHCAMZQDZ-JPYJTQIMSA-N 0 0 508.405 5.958 50 30 KKEARN Cc1c(/C(=N\OC(=O)C(C)C)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000008782238 553144734 /nfs/dbraw/zinc/14/47/34/553144734.db2.gz JFEFVXMJYHKOJB-QUPMIFSKSA-N 0 0 510.509 5.461 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc21 ZINC000008783617 553145006 /nfs/dbraw/zinc/14/50/06/553145006.db2.gz SKFHSYILDIWCJV-YTTGMZPUSA-N 0 0 504.630 7.649 50 30 biogenic,in-vitro KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000008817464 553152818 /nfs/dbraw/zinc/15/28/18/553152818.db2.gz FYPDESGCYYHYTM-AREMUKBSSA-N 0 0 501.424 6.906 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000008817687 553152835 /nfs/dbraw/zinc/15/28/35/553152835.db2.gz KMGPLSBCHWXAED-XTEPFMGCSA-N 0 0 517.467 7.554 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008836038 553162984 /nfs/dbraw/zinc/16/29/84/553162984.db2.gz MRASOZFGYHVTLC-AREMUKBSSA-N 0 0 503.599 5.126 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008837909 553164822 /nfs/dbraw/zinc/16/48/22/553164822.db2.gz VAXIMGQSQCMREK-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845802 553166113 /nfs/dbraw/zinc/16/61/13/553166113.db2.gz QVLMGPHPSVYOLO-VOIUYBSRSA-N 0 0 519.623 5.378 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000008846427 553166368 /nfs/dbraw/zinc/16/63/68/553166368.db2.gz XIIRRDXZDGADIA-IQGLISFBSA-N 0 0 513.681 5.510 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccco2)cc1 ZINC000008846683 553166580 /nfs/dbraw/zinc/16/65/80/553166580.db2.gz YXJBVGKGKIRLFE-QYBDOPJKSA-N 0 0 508.540 7.040 50 30 KKEARN CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)ccc1O ZINC000008853520 553166784 /nfs/dbraw/zinc/16/67/84/553166784.db2.gz JHWHDVMIXQGSDO-VTNSRFBWSA-N 0 0 515.972 7.228 50 30 KKEARN FC(F)(F)c1cccc(OCCO/N=C/c2c(-c3ccc(Br)cc3)nc3sccn23)c1 ZINC000008857252 553168075 /nfs/dbraw/zinc/16/80/75/553168075.db2.gz JYNLQLWGNVGMNN-LGJNPRDNSA-N 0 0 510.335 6.274 50 30 KKEARN CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)NC ZINC000008860526 553170134 /nfs/dbraw/zinc/17/01/34/553170134.db2.gz FNFHZBKBDFRYHS-RUZDIDTESA-O 0 0 539.715 6.049 50 30 in-vitro KKEARN CCOc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc21 ZINC000008861136 553170322 /nfs/dbraw/zinc/17/03/22/553170322.db2.gz NTAPGJTYCGLWKJ-AJBULDERSA-N 0 0 510.615 6.283 50 30 KKEARN Clc1cccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c1Cl ZINC000008872021 553172032 /nfs/dbraw/zinc/17/20/32/553172032.db2.gz HIZKBLNXOMDPSD-JVWAILMASA-N 0 0 500.434 5.865 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)c1Cl ZINC000008872090 553172204 /nfs/dbraw/zinc/17/22/04/553172204.db2.gz AFSUPCDZHWCEJD-BRJLIKDPSA-N 0 0 505.341 5.406 50 30 KKEARN c1ccc2c(c1)cccc2Nc1nc(N=NCc2c3ccccc3cc3ccccc32)nc(N2CCOCC2)n1 ZINC000008872099 553172238 /nfs/dbraw/zinc/17/22/38/553172238.db2.gz XHDBCWTVIHMXLL-QNKGDIEWSA-N 0 0 525.616 6.357 50 30 KKEARN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)cc2)cc1 ZINC000008872320 553173167 /nfs/dbraw/zinc/17/31/67/553173167.db2.gz MQQPSSVVHZNFHT-VUTHCHCSSA-N 0 0 524.585 5.539 50 30 KKEARN Clc1ccc(Cl)c(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)c1 ZINC000008872365 553173356 /nfs/dbraw/zinc/17/33/56/553173356.db2.gz PITNATSLHSMLLJ-LQKURTRISA-N 0 0 508.413 6.618 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)c(Cl)c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872790 553174115 /nfs/dbraw/zinc/17/41/15/553174115.db2.gz VJIHGDYNNHGNRY-IBBHUPRXSA-N 0 0 572.988 7.382 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Br)cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872788 553174170 /nfs/dbraw/zinc/17/41/70/553174170.db2.gz ANXBOHLVLKFTNI-OKCVXOCRSA-N 0 0 599.449 7.352 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3c(Cl)cccc3Cl)nc(N3CCCCCC3)n2)cc1 ZINC000008872914 553174307 /nfs/dbraw/zinc/17/43/07/553174307.db2.gz RNRJNVXAHODQQH-QFEZKATASA-N 0 0 501.378 5.657 50 30 KKEARN O=[N+]([O-])c1ccc(CN=Nc2nc(N=NCc3ccc([N+](=O)[O-])cc3)nc(Nc3cccc4ccccc43)n2)cc1 ZINC000008872932 553174603 /nfs/dbraw/zinc/17/46/03/553174603.db2.gz MBQVUCNRZDYRHT-LPHFKDDMSA-N 0 0 548.523 5.477 50 30 KKEARN CC1CCN(c2ccc(CN=Nc3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)cc2[N+](=O)[O-])CC1 ZINC000008872989 553174618 /nfs/dbraw/zinc/17/46/18/553174618.db2.gz AABVUYWMUWKZLJ-RDRPBHBLSA-N 0 0 533.612 5.335 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008893631 553177163 /nfs/dbraw/zinc/17/71/63/553177163.db2.gz PQCIMTSBTQLHIZ-SANMLTNESA-N 0 0 526.658 7.002 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000008894024 553177173 /nfs/dbraw/zinc/17/71/73/553177173.db2.gz SREDVBSOOZCYOI-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894666 553177757 /nfs/dbraw/zinc/17/77/57/553177757.db2.gz INFNDXBSDXKKCV-XMMPIXPASA-N 0 0 500.576 6.108 50 30 KKEARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1 ZINC000008927726 553192136 /nfs/dbraw/zinc/19/21/36/553192136.db2.gz ZHXLNSGJUBXLRP-YPBBEJQWSA-N 0 0 516.435 6.029 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008934748 553193267 /nfs/dbraw/zinc/19/32/67/553193267.db2.gz LOZVBPMQPZIROO-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008964767 553194781 /nfs/dbraw/zinc/19/47/81/553194781.db2.gz ZOOAIEZLCAMZFL-SMSORMJASA-N 0 0 510.590 5.792 50 30 biogenic KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008973650 553195191 /nfs/dbraw/zinc/19/51/91/553195191.db2.gz AAMZJVAGQQDSGI-XMMPIXPASA-N 0 0 502.567 6.316 50 30 KKEARN N#C[C@@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980304 553196046 /nfs/dbraw/zinc/19/60/46/553196046.db2.gz JNFNZFNHCKBDOA-JOCHJYFZSA-N 0 0 523.559 5.458 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008980582 553196088 /nfs/dbraw/zinc/19/60/88/553196088.db2.gz CPDHYVVDKJGWPZ-DEOSSOPVSA-N 0 0 518.566 5.852 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2OC)SC1=S ZINC000008984458 553196189 /nfs/dbraw/zinc/19/61/89/553196189.db2.gz QNMLDUUTTFTBAW-ZHZULCJRSA-N 0 0 506.443 5.303 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008986514 553196629 /nfs/dbraw/zinc/19/66/29/553196629.db2.gz VKSOLNVBKWPCMW-HHHXNRCGSA-N 0 0 511.534 5.776 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996972 553197437 /nfs/dbraw/zinc/19/74/37/553197437.db2.gz SSNZNDDPCGYRJJ-XMMPIXPASA-N 0 0 514.603 5.967 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009008199 553198462 /nfs/dbraw/zinc/19/84/62/553198462.db2.gz GHSHMRXUEMOWLA-RUZDIDTESA-N 0 0 514.603 6.220 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009008546 553199020 /nfs/dbraw/zinc/19/90/20/553199020.db2.gz ASPBOUMPSRNIHW-QFIPXVFZSA-N 0 0 518.591 5.284 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000009010199 553199683 /nfs/dbraw/zinc/19/96/83/553199683.db2.gz BDIROGJSONMMGD-DWXRJYCRSA-N 0 0 526.029 5.766 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000009018939 553200757 /nfs/dbraw/zinc/20/07/57/553200757.db2.gz XRBJJPVEXFKDID-QNLPTKCRSA-N 0 0 520.673 7.303 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000009019878 553201151 /nfs/dbraw/zinc/20/11/51/553201151.db2.gz RXUNLTSUEAOBAP-JOCHJYFZSA-N 0 0 502.405 5.017 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000009041189 553202298 /nfs/dbraw/zinc/20/22/98/553202298.db2.gz BBCQSHKNVAHLDY-WNCULLNHSA-N 0 0 521.411 6.273 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009042985 553202907 /nfs/dbraw/zinc/20/29/07/553202907.db2.gz SVQZMNGXLYOHDQ-HMILPKGGSA-N 0 0 501.970 6.559 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009043881 553203168 /nfs/dbraw/zinc/20/31/68/553203168.db2.gz KUBMEDBKZZHLLB-QFIPXVFZSA-N 0 0 506.605 5.775 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000009046736 553204327 /nfs/dbraw/zinc/20/43/27/553204327.db2.gz QKEXHEXLFRRNBI-RBBQXQBVSA-N 0 0 525.693 7.607 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009066435 553206172 /nfs/dbraw/zinc/20/61/72/553206172.db2.gz CAFGUMMHUXJQKI-SANMLTNESA-N 0 0 526.658 7.002 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009069234 553206763 /nfs/dbraw/zinc/20/67/63/553206763.db2.gz GQAVLZHHPKCLJN-DEOSSOPVSA-N 0 0 519.022 6.865 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009070701 553207086 /nfs/dbraw/zinc/20/70/86/553207086.db2.gz CSGZZEJNKNOSQS-QHCPKHFHSA-N 0 0 504.995 6.440 50 30 KKEARN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009086099 553208319 /nfs/dbraw/zinc/20/83/19/553208319.db2.gz QHVFGRNHICHHAN-XMMPIXPASA-N 0 0 511.405 6.263 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009086309 553208554 /nfs/dbraw/zinc/20/85/54/553208554.db2.gz SJPUEBWMYIPFHJ-GDLZYMKVSA-N 0 0 504.586 6.056 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000009096055 553209573 /nfs/dbraw/zinc/20/95/73/553209573.db2.gz WYUVXUSAPYGHIL-LBPRGKRZSA-N 0 0 504.435 5.524 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000009113283 553210606 /nfs/dbraw/zinc/21/06/06/553210606.db2.gz APYFMZFICPNNQH-VWLOTQADSA-N 0 0 510.030 5.834 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009124417 553212830 /nfs/dbraw/zinc/21/28/30/553212830.db2.gz BNKTYIZDSIBFQE-MCMMXHMISA-N 0 0 504.589 5.473 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1Br ZINC000009144801 553213805 /nfs/dbraw/zinc/21/38/05/553213805.db2.gz GFWAIAXUOIOZEN-SDHSZQHLSA-N 0 0 514.810 6.387 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000009183476 553216816 /nfs/dbraw/zinc/21/68/16/553216816.db2.gz RCQIMLFWBFTYMJ-NDEPHWFRSA-N 0 0 504.552 7.091 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186570 553217589 /nfs/dbraw/zinc/21/75/89/553217589.db2.gz ZCTZBSPRSYLQRG-DEOSSOPVSA-N 0 0 500.551 6.092 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009186828 553217801 /nfs/dbraw/zinc/21/78/01/553217801.db2.gz NAVZWLUXJDWMFL-XMMPIXPASA-N 0 0 519.022 6.748 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009186769 553217902 /nfs/dbraw/zinc/21/79/02/553217902.db2.gz DUZRZWNDQMQIPG-SANMLTNESA-N 0 0 526.658 7.084 50 30 KKEARN CC1(C)CC(=O)C(C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)=C(Nc2ccc(F)cc2)C1 ZINC000009216458 553221687 /nfs/dbraw/zinc/22/16/87/553221687.db2.gz AJNURUHEECLKET-UHFFFAOYSA-N 0 0 503.418 5.569 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009233762 553224546 /nfs/dbraw/zinc/22/45/46/553224546.db2.gz ALYUYYKIQOZLFI-SMSORMJASA-N 0 0 512.606 6.547 50 30 biogenic KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009235226 553225153 /nfs/dbraw/zinc/22/51/53/553225153.db2.gz XWZSWQSVKYGXDN-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN CN(/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000009235927 553225613 /nfs/dbraw/zinc/22/56/13/553225613.db2.gz MICAAKQZMJAWOI-WPWMEQJKSA-N 0 0 525.013 5.144 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)c1 ZINC000009243629 553226864 /nfs/dbraw/zinc/22/68/64/553226864.db2.gz BANQQEQCBDLBOW-VWLOTQADSA-N 0 0 512.587 5.822 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000009246273 553227305 /nfs/dbraw/zinc/22/73/05/553227305.db2.gz VSDAHFVVICLRCL-PZGXJGMVSA-N 0 0 519.638 5.807 50 30 KKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000009261295 553228331 /nfs/dbraw/zinc/22/83/31/553228331.db2.gz ANHFXPQEZKZTED-LICLKQGHSA-N 0 0 509.809 6.877 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009261897 553228357 /nfs/dbraw/zinc/22/83/57/553228357.db2.gz CIUAXABDGVIMMR-HSZRJFAPSA-N 0 0 528.078 5.292 50 30 KKEARN Cc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009264223 553228672 /nfs/dbraw/zinc/22/86/72/553228672.db2.gz DTELUVMJNCSDBY-CHJDUVSTSA-N 0 0 509.005 7.456 50 30 KKEARN O=C(Cc1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264231 553228795 /nfs/dbraw/zinc/22/87/95/553228795.db2.gz JHOCRMSNPIMRPL-XBBWARJSSA-N 0 0 515.034 7.138 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009264294 553228798 /nfs/dbraw/zinc/22/87/98/553228798.db2.gz QECPNXYRADXHTH-ACSYHNTCSA-N 0 0 509.993 7.539 50 30 KKEARN O=C(Cc1cccs1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264235 553228806 /nfs/dbraw/zinc/22/88/06/553228806.db2.gz JHOCRMSNPIMRPL-ADXZGYQBSA-N 0 0 515.034 7.138 50 30 KKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264238 553228810 /nfs/dbraw/zinc/22/88/10/553228810.db2.gz YZIKHBBHZKJNKV-OLILMLBXSA-N 0 0 516.041 7.349 50 30 KKEARN Cc1ccc(-n2ncc(C(=O)Nc3ccc(CC#N)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000009264834 553229649 /nfs/dbraw/zinc/22/96/49/553229649.db2.gz GMJKIBNRTCXMNT-UHFFFAOYSA-N 0 0 513.642 5.922 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000009271251 553230736 /nfs/dbraw/zinc/23/07/36/553230736.db2.gz CZIASHKWKAHJJA-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271659 553231219 /nfs/dbraw/zinc/23/12/19/553231219.db2.gz NKVABEBMAXXKPF-QFIPXVFZSA-N 0 0 520.563 5.315 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271660 553231296 /nfs/dbraw/zinc/23/12/96/553231296.db2.gz PQPKVAODPNREDN-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)cc2)cc1C ZINC000009272571 553231806 /nfs/dbraw/zinc/23/18/06/553231806.db2.gz HLXOIFJREAYXOJ-MHZLTWQESA-N 0 0 500.595 5.746 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275380 553232816 /nfs/dbraw/zinc/23/28/16/553232816.db2.gz UAAOEMMZVQLXNB-JOCHJYFZSA-N 0 0 504.539 5.544 50 30 KKEARN Cc1c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000009281569 553233459 /nfs/dbraw/zinc/23/34/59/553233459.db2.gz PRZVQCWZCXPSFN-KEAQLFMESA-N 0 0 511.629 6.591 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290924 553234523 /nfs/dbraw/zinc/23/45/23/553234523.db2.gz QHENEMAXFPOTIF-CPJLOUKISA-N 0 0 512.587 5.720 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009292794 553235152 /nfs/dbraw/zinc/23/51/52/553235152.db2.gz CIZDZDPOHMSWPQ-LYZGTLIUSA-N 0 0 529.637 5.444 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308698 553237465 /nfs/dbraw/zinc/23/74/65/553237465.db2.gz OADZQRTUGGJEIW-IZHWHUGBSA-N 0 0 513.575 5.196 50 30 KKEARN COc1ccc(/N=C2\S/C(=C/c3cccc(OC)c3OC)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000009311593 553239692 /nfs/dbraw/zinc/23/96/92/553239692.db2.gz UWOMYWPRQAFDPB-BKMCGOQMSA-N 0 0 513.619 6.040 50 30 KKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)o1 ZINC000009311688 553239719 /nfs/dbraw/zinc/23/97/19/553239719.db2.gz FRJBSNMRVVDIRV-ODLFYWEKSA-N 0 0 500.330 5.518 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009312553 553240496 /nfs/dbraw/zinc/24/04/96/553240496.db2.gz KZRRNYMPRMYZMZ-LGGPFLRQSA-N 0 0 511.618 6.010 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009313133 553240986 /nfs/dbraw/zinc/24/09/86/553240986.db2.gz DUXFRUFYODTBKZ-WINIVTDRSA-N 0 0 523.626 5.202 50 30 KKEARN CCCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)CC ZINC000009327507 553241733 /nfs/dbraw/zinc/24/17/33/553241733.db2.gz FERUFQUYQKNRQF-GHRAFVERSA-N 0 0 510.634 6.795 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009328398 553241993 /nfs/dbraw/zinc/24/19/93/553241993.db2.gz ONHMBDJMPCJCBB-NPMXOYFQSA-N 0 0 512.393 5.182 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009328949 553242020 /nfs/dbraw/zinc/24/20/20/553242020.db2.gz AJWUGSWPBSUULJ-VKGTZQKMSA-N 0 0 531.605 5.959 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000009328962 553242155 /nfs/dbraw/zinc/24/21/55/553242155.db2.gz PBRGMDQWCDQTMI-DEOSSOPVSA-N 0 0 510.373 5.586 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009329165 553242294 /nfs/dbraw/zinc/24/22/94/553242294.db2.gz PAZMPQYNDRAPPJ-SANMLTNESA-N 0 0 503.551 5.254 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334005 553243139 /nfs/dbraw/zinc/24/31/39/553243139.db2.gz DEGPPSAZUPETCF-QHCPKHFHSA-N 0 0 518.660 6.837 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009339996 553243666 /nfs/dbraw/zinc/24/36/66/553243666.db2.gz NYALOXHUKYPVFO-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)c(Cl)c1 ZINC000009354839 553246178 /nfs/dbraw/zinc/24/61/78/553246178.db2.gz ZFPKHHHGCLNTQI-LQKURTRISA-N 0 0 512.445 5.404 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009358974 553247687 /nfs/dbraw/zinc/24/76/87/553247687.db2.gz PCZGTWUTYXNQRJ-DCFHFQCYSA-N 0 0 515.610 5.054 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000009358895 553247729 /nfs/dbraw/zinc/24/77/29/553247729.db2.gz LOHYTOZNVWUGLX-JOCHJYFZSA-N 0 0 502.405 5.017 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009359345 553247923 /nfs/dbraw/zinc/24/79/23/553247923.db2.gz VBNFHPOCQLGNLN-RUZDIDTESA-N 0 0 514.603 6.049 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009359978 553248191 /nfs/dbraw/zinc/24/81/91/553248191.db2.gz RFPRMVCLFHDUFW-RBTNQOKQSA-N 0 0 529.637 5.300 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360121 553248255 /nfs/dbraw/zinc/24/82/55/553248255.db2.gz LXKXCRQYJLHYDN-CPJLOUKISA-N 0 0 514.578 6.159 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009359966 553248258 /nfs/dbraw/zinc/24/82/58/553248258.db2.gz RFPRMVCLFHDUFW-PIKZIKFNSA-N 0 0 529.637 5.300 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360412 553248408 /nfs/dbraw/zinc/24/84/08/553248408.db2.gz ADQQJGZKEYCQAD-PUAOIOHZSA-N 0 0 512.587 5.720 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360285 553248434 /nfs/dbraw/zinc/24/84/34/553248434.db2.gz RCAJUSOUPHEVPI-HSZRJFAPSA-N 0 0 520.632 6.110 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009374339 553250676 /nfs/dbraw/zinc/25/06/76/553250676.db2.gz KMCSIUWOIDKXID-GDLZYMKVSA-N 0 0 527.661 6.486 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009374587 553250898 /nfs/dbraw/zinc/25/08/98/553250898.db2.gz SEHOZOUHLMOGPG-NGOKVRLYSA-N 0 0 513.590 5.204 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009374594 553250959 /nfs/dbraw/zinc/25/09/59/553250959.db2.gz SEHOZOUHLMOGPG-WTYVLRPYSA-N 0 0 513.590 5.204 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009379836 553251596 /nfs/dbraw/zinc/25/15/96/553251596.db2.gz RRHDTTDDLBKSSI-VWLOTQADSA-N 0 0 525.432 6.654 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000009380479 553251794 /nfs/dbraw/zinc/25/17/94/553251794.db2.gz VGEJCTJEBVWTLM-NRFANRHFSA-N 0 0 511.372 5.526 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009380610 553251908 /nfs/dbraw/zinc/25/19/08/553251908.db2.gz AZKKVMQQVUVASK-FQEVSTJZSA-N 0 0 513.185 5.995 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009380531 553251918 /nfs/dbraw/zinc/25/19/18/553251918.db2.gz JNMOKKDVXVUZBE-SANMLTNESA-N 0 0 516.550 5.097 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009380661 553251978 /nfs/dbraw/zinc/25/19/78/553251978.db2.gz WSUPFIMVJCUUKK-MUUNZHRXSA-N 0 0 515.606 6.047 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009424994 553259072 /nfs/dbraw/zinc/25/90/72/553259072.db2.gz WYPQMFIZGKUXSP-WRONEBCDSA-N 0 0 527.617 5.628 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425102 553259095 /nfs/dbraw/zinc/25/90/95/553259095.db2.gz KLVPRRVXCAGRGY-NGOKVRLYSA-N 0 0 512.606 5.753 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425101 553259103 /nfs/dbraw/zinc/25/91/03/553259103.db2.gz KLVPRRVXCAGRGY-PIIWDFAUSA-N 0 0 512.606 5.753 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CCC)SC4=NC3=O)cc2)c(OC)c1 ZINC000009425586 553259478 /nfs/dbraw/zinc/25/94/78/553259478.db2.gz FNWTVEJFYWRVLC-NZAISQPBSA-N 0 0 504.612 5.301 50 30 KKEARN Oc1c(C=NNc2ccc3ccccc3n2)cc(Cc2ccccc2)cc1C=NNc1ccc2ccccc2n1 ZINC000009426232 553259602 /nfs/dbraw/zinc/25/96/02/553259602.db2.gz JCRCMJKIYQQINZ-TWOPAUOSSA-N 0 0 522.612 6.971 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC ZINC000009432063 553261155 /nfs/dbraw/zinc/26/11/55/553261155.db2.gz FERWVVCVMVTXAJ-FJOMVMCCSA-N 0 0 507.587 5.046 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000009435130 553264076 /nfs/dbraw/zinc/26/40/76/553264076.db2.gz FLTKCNHAFRCLCN-RBISFHTESA-N 0 0 521.679 5.752 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009436625 553264559 /nfs/dbraw/zinc/26/45/59/553264559.db2.gz MNOHKPKIHOKOJW-WTYVLRPYSA-N 0 0 512.606 5.608 50 30 KKEARN Cc1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)cc1 ZINC000009448584 553265725 /nfs/dbraw/zinc/26/57/25/553265725.db2.gz RBIOZSREQDIWPJ-UHFFFAOYSA-N 0 0 512.639 5.544 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009456219 553266288 /nfs/dbraw/zinc/26/62/88/553266288.db2.gz CMBBNRODGYNAHE-MHZLTWQESA-N 0 0 515.562 5.034 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009458899 553266553 /nfs/dbraw/zinc/26/65/53/553266553.db2.gz FSVGKRZZYGNFSX-AREMUKBSSA-N 0 0 503.551 5.398 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009460955 553267119 /nfs/dbraw/zinc/26/71/19/553267119.db2.gz HQPFCDMDTZXJNC-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009461051 553267192 /nfs/dbraw/zinc/26/71/92/553267192.db2.gz POXVOYCOMIKDFQ-MUUNZHRXSA-N 0 0 513.634 6.096 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000009461086 553267322 /nfs/dbraw/zinc/26/73/22/553267322.db2.gz IPZJIBMCMYGHLI-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009461125 553267369 /nfs/dbraw/zinc/26/73/69/553267369.db2.gz KYTCGZZADCWBLQ-LJAQVGFWSA-N 0 0 504.586 6.056 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000009461160 553267412 /nfs/dbraw/zinc/26/74/12/553267412.db2.gz VFCNYVJGKCUCOH-DEOSSOPVSA-N 0 0 516.575 5.501 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000009461425 553267525 /nfs/dbraw/zinc/26/75/25/553267525.db2.gz KFJZVELZHGXOPC-MUUNZHRXSA-N 0 0 523.589 5.145 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009461471 553267602 /nfs/dbraw/zinc/26/76/02/553267602.db2.gz CTWDGIASYWCGEC-HHHXNRCGSA-N 0 0 501.579 5.197 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009463103 553268661 /nfs/dbraw/zinc/26/86/61/553268661.db2.gz KVWVFLACVYFKSI-MUUNZHRXSA-N 0 0 525.557 5.660 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000009463122 553268664 /nfs/dbraw/zinc/26/86/64/553268664.db2.gz IBFIKLNAMVDATB-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009463467 553268948 /nfs/dbraw/zinc/26/89/48/553268948.db2.gz OCJMFOAMANKKMY-MUUNZHRXSA-N 0 0 509.558 5.954 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009463553 553269172 /nfs/dbraw/zinc/26/91/72/553269172.db2.gz ARQHVLPKOQRZIF-NDEPHWFRSA-N 0 0 513.590 5.805 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000009471304 553269935 /nfs/dbraw/zinc/26/99/35/553269935.db2.gz FCNPNBAMKVZKPD-NSYGIPOTSA-N 0 0 518.407 5.594 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1OC ZINC000009477479 553272460 /nfs/dbraw/zinc/27/24/60/553272460.db2.gz HOUSFGURZSAJLA-MUUNZHRXSA-N 0 0 531.605 5.206 50 30 KKEARN CCOC(=O)[C@H](Sc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3)c1ccccc1 ZINC000009488367 553273003 /nfs/dbraw/zinc/27/30/03/553273003.db2.gz UOOPVOAJJCDKLH-HSZRJFAPSA-N 0 0 513.623 5.592 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2CO1 ZINC000009510549 553276199 /nfs/dbraw/zinc/27/61/99/553276199.db2.gz VARHJXDHXCXFDQ-UHFFFAOYSA-N 0 0 519.030 5.580 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000009510945 553276297 /nfs/dbraw/zinc/27/62/97/553276297.db2.gz NFCXIDHYKKJBGH-BSEYFRJRSA-N 0 0 514.559 5.117 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000009553341 553278378 /nfs/dbraw/zinc/27/83/78/553278378.db2.gz FEKWHYGUYGLAEW-BNHRFMORSA-N 0 0 518.588 7.049 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(C)o2)cc1OC ZINC000009553626 553278486 /nfs/dbraw/zinc/27/84/86/553278486.db2.gz NNBHOEVKDHOCJE-OLILMLBXSA-N 0 0 505.611 5.843 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000009554157 553278888 /nfs/dbraw/zinc/27/88/88/553278888.db2.gz KGYNGDXWAJYGKD-DLLPINGYSA-N 0 0 515.569 6.805 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(Br)cc1 ZINC000009554205 553278939 /nfs/dbraw/zinc/27/89/39/553278939.db2.gz PSQDOPSFQRDYRX-SANMLTNESA-N 0 0 501.424 6.902 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5ccccc5C)n42)COC(C)(C)C3)cc1 ZINC000009580945 553282050 /nfs/dbraw/zinc/28/20/50/553282050.db2.gz RUQMVTVPWVZOFB-UHFFFAOYSA-N 0 0 512.639 5.544 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2sc3c(c2c1=O)CCCCC3 ZINC000009591039 553283219 /nfs/dbraw/zinc/28/32/19/553283219.db2.gz YMPBPJDLNDUEFC-UHFFFAOYSA-N 0 0 523.709 5.471 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccs2)cc1OC ZINC000009598292 553284308 /nfs/dbraw/zinc/28/43/08/553284308.db2.gz NWFJWXGQZMBDHV-WRONEBCDSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2F)cc1OC ZINC000009598277 553284339 /nfs/dbraw/zinc/28/43/39/553284339.db2.gz IDNHKNAFDYRKSA-IIMAJNMQSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(F)cc2)cc1OC ZINC000009598319 553284544 /nfs/dbraw/zinc/28/45/44/553284544.db2.gz CNAJNCWVRIMXPK-YKGWIAGDSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009600898 553286199 /nfs/dbraw/zinc/28/61/99/553286199.db2.gz NUKCMKGVBWNHIV-JOCHJYFZSA-N 0 0 506.967 5.750 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009600694 553286221 /nfs/dbraw/zinc/28/62/21/553286221.db2.gz DUWXINULTZKLJP-DFHRPNOPSA-N 0 0 505.680 6.133 50 30 KKEARN C=CCN1c2ccccc2[C@@]2(Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)C1=O ZINC000009600924 553286468 /nfs/dbraw/zinc/28/64/68/553286468.db2.gz XGSVKBZRNHODRV-SHQCIBLASA-N 0 0 516.395 5.387 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608836 553287721 /nfs/dbraw/zinc/28/77/21/553287721.db2.gz UZDXLGXFIMXVNQ-HSZRJFAPSA-N 0 0 517.651 5.588 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000009680311 553296542 /nfs/dbraw/zinc/29/65/42/553296542.db2.gz ZCFRLLZAVWCIRM-XHCCPWGMSA-N 0 0 522.041 6.292 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000009763467 553303392 /nfs/dbraw/zinc/30/33/92/553303392.db2.gz JFBPWXMZBRWWLZ-FJOMVMCCSA-N 0 0 524.042 5.560 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000009777555 553306742 /nfs/dbraw/zinc/30/67/42/553306742.db2.gz ACILCGMZFQXJFG-DXWCKFLSSA-N 0 0 519.623 5.263 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000009805258 553308307 /nfs/dbraw/zinc/30/83/07/553308307.db2.gz CWRDDYDBLJWQQK-KKIUXKEOSA-N 0 0 530.621 6.099 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccccc2)cc1OC ZINC000009846352 553311550 /nfs/dbraw/zinc/31/15/50/553311550.db2.gz IQXHZXGFSPEMPA-WPLMXXOSSA-N 0 0 517.651 5.524 50 30 KKEARN CCCCCCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000009849820 553312420 /nfs/dbraw/zinc/31/24/20/553312420.db2.gz CGDXRXBDSHGPEJ-NFMXCSJRSA-N 0 0 501.652 6.811 50 30 KKEARN CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000009860889 553313942 /nfs/dbraw/zinc/31/39/42/553313942.db2.gz VKHSATVQVBQMGO-YTTGMZPUSA-N 0 0 520.654 6.646 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861210 553314149 /nfs/dbraw/zinc/31/41/49/553314149.db2.gz JCHDBYSMBHPKEN-QHCPKHFHSA-N 0 0 509.448 5.153 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861125 553314150 /nfs/dbraw/zinc/31/41/50/553314150.db2.gz RYMYTNSOLAHEHG-JOCHJYFZSA-N 0 0 522.468 6.302 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccco1 ZINC000009910206 553316976 /nfs/dbraw/zinc/31/69/76/553316976.db2.gz SBXIQQXEXFJTQU-UHFFFAOYSA-N 0 0 506.440 5.809 50 30 KKEARN N#Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCCC1 ZINC000009938603 553319077 /nfs/dbraw/zinc/31/90/77/553319077.db2.gz OKHYUYNPSJVJBG-UHFFFAOYSA-N 0 0 516.692 6.004 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCC(C)C)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000009985918 553323594 /nfs/dbraw/zinc/32/35/94/553323594.db2.gz RODLAKIJPNZOFY-QYBDOPJKSA-N 0 0 503.620 5.724 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCC(C)C)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000009985935 553323612 /nfs/dbraw/zinc/32/36/12/553323612.db2.gz RODLAKIJPNZOFY-WXTAPIANSA-N 0 0 503.620 5.724 50 30 KKEARN N#Cc1c(SC[C@@H](O)CS(=O)(=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009993227 553323765 /nfs/dbraw/zinc/32/37/65/553323765.db2.gz LUSFUUQUMVKZIX-OAQYLSRUSA-N 0 0 506.674 5.417 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)CNc3ccc(Cl)cc3)n2)cc1 ZINC000009993204 553323776 /nfs/dbraw/zinc/32/37/76/553323776.db2.gz OUCHJVISJHLGLW-HSZRJFAPSA-N 0 0 502.039 6.514 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009993427 553323959 /nfs/dbraw/zinc/32/39/59/553323959.db2.gz MZOPZCHZUNTRSM-NQHRYMMQSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000009993399 553323983 /nfs/dbraw/zinc/32/39/83/553323983.db2.gz GYPLXOIOMWJSII-FTBPSBKWSA-N 0 0 524.013 5.063 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000010013648 553326256 /nfs/dbraw/zinc/32/62/56/553326256.db2.gz DNKALQVHMGXKPP-HMILPKGGSA-N 0 0 516.544 5.679 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000011026282 553338822 /nfs/dbraw/zinc/33/88/22/553338822.db2.gz FVVKZEGGHALWRI-SANMLTNESA-N 0 0 539.632 6.757 50 30 KKEARN CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000011614283 553339250 /nfs/dbraw/zinc/33/92/50/553339250.db2.gz PZPOPIAZCSLMSR-WSLHGYQHSA-N 0 0 520.724 5.024 50 30 KKEARN CC(C)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)n2)cc1 ZINC000011617322 553339843 /nfs/dbraw/zinc/33/98/43/553339843.db2.gz DZDRWFAWRDFNFF-UHFFFAOYSA-N 0 0 507.641 5.004 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000012193713 553353877 /nfs/dbraw/zinc/35/38/77/553353877.db2.gz SWTJVHRUCKREOH-XNMGPUDCSA-N 0 0 505.412 6.655 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012193748 553353891 /nfs/dbraw/zinc/35/38/91/553353891.db2.gz BBCQSHKNVAHLDY-KCWPFWIISA-N 0 0 521.411 6.273 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000012193668 553353896 /nfs/dbraw/zinc/35/38/96/553353896.db2.gz BTGWDUSLBBLADA-NOZRDPDXSA-N 0 0 506.356 6.164 50 30 KKEARN COc1cc(/C=N/[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012369395 553359864 /nfs/dbraw/zinc/35/98/64/553359864.db2.gz DIIDXSOBIHSJAR-DYDGXOQUSA-N 0 0 525.601 6.343 50 30 KKEARN Cc1sc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1Cn1cnc2ccccc21 ZINC000012372419 553360850 /nfs/dbraw/zinc/36/08/50/553360850.db2.gz AAPPSJBFSJRODP-LJAQVGFWSA-N 0 0 508.647 6.061 50 30 KKEARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000012376501 553361474 /nfs/dbraw/zinc/36/14/74/553361474.db2.gz SHDDWEHFEITSNC-PLHZELPKSA-N 0 0 515.969 6.015 50 30 KKEARN O=C1/C(=N\c2ccc(OC(F)(F)F)cc2)c2ccccc2N1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012377191 553361645 /nfs/dbraw/zinc/36/16/45/553361645.db2.gz FMGXPGYTPYLYPA-QLTSDVKISA-N 0 0 514.935 5.486 50 30 KKEARN CC/N=C1\S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccc(F)cc2)C(=O)N1CC ZINC000012402010 553362560 /nfs/dbraw/zinc/36/25/60/553362560.db2.gz PMCCWEPJGLQDJM-SINQNBRUSA-N 0 0 503.430 6.356 50 30 KKEARN CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1/N=C/c1cc(Br)ccc1O ZINC000012410973 553363161 /nfs/dbraw/zinc/36/31/61/553363161.db2.gz OKVDCLFERLLXMO-OPEKNORGSA-N 0 0 515.433 5.154 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411762 553363796 /nfs/dbraw/zinc/36/37/96/553363796.db2.gz TWTXFFLXJGPVMW-PPHZAIPVSA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F ZINC000012413175 553364525 /nfs/dbraw/zinc/36/45/25/553364525.db2.gz OYKGXOQCPBIROO-IBGZPJMESA-N 0 0 507.456 5.173 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)sc2c1CCCC2 ZINC000012413850 553364726 /nfs/dbraw/zinc/36/47/26/553364726.db2.gz USWMGVPZGTUSOH-XMMPIXPASA-N 0 0 524.708 6.108 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000012416290 553364885 /nfs/dbraw/zinc/36/48/85/553364885.db2.gz ZPVRLWVXRFPENY-MRDQGFSESA-N 0 0 504.583 5.602 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416326 553364896 /nfs/dbraw/zinc/36/48/96/553364896.db2.gz FVQNLOMMHFJLMS-QUGAMOGWSA-N 0 0 502.567 5.616 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@@H]1c1cccc(OC)c1)CCCC2 ZINC000012416439 553365047 /nfs/dbraw/zinc/36/50/47/553365047.db2.gz DIONAVCOIWARDS-HSZRJFAPSA-N 0 0 506.624 5.029 50 30 KKEARN CCCCCc1ccc(S(=O)(=O)/N=C2\SCCN2S(=O)(=O)c2ccc(CCCCC)cc2)cc1 ZINC000012419880 553365659 /nfs/dbraw/zinc/36/56/59/553365659.db2.gz ZYDGARAPYUZVQR-QPLCGJKRSA-N 0 0 522.758 5.634 50 30 KKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Br ZINC000012462180 553367023 /nfs/dbraw/zinc/36/70/23/553367023.db2.gz WEGDIXUBVPNAKW-GNVQSUKOSA-N 0 0 523.862 5.658 50 30 KKEARN Cc1cccn2c(=O)c(C=NN=c3[nH]c4ccccc4s3)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000012524496 553383520 /nfs/dbraw/zinc/38/35/20/553383520.db2.gz LZVNIZCUVNQWKM-UVHMKAGCSA-N 0 0 508.579 6.117 50 30 KKEARN CNc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(NC)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000012546800 553392035 /nfs/dbraw/zinc/39/20/35/553392035.db2.gz XOXCCZMMPCFOAD-FWSOMWAYSA-N 0 0 513.554 5.138 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000012559155 553393916 /nfs/dbraw/zinc/39/39/16/553393916.db2.gz UFHKYZOZWNWUPL-MEKGRNQZSA-N 0 0 526.640 7.322 50 30 KKEARN Cc1ccc2nc(-c3ccc(NC(=NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)cc3)sc2c1 ZINC000012559695 553394226 /nfs/dbraw/zinc/39/42/26/553394226.db2.gz GSTRNFUMDITZHP-UHFFFAOYSA-N 0 0 501.608 6.658 50 30 KKEARN O=C1Nc2ccc(Br)cc2/C1=N\NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000012561520 553394709 /nfs/dbraw/zinc/39/47/09/553394709.db2.gz WEPIRJGFCLUNEX-UHFFFAOYSA-N 0 0 506.296 6.000 50 30 KKEARN COc1cc(OC)cc(-c2cc(/C=C/c3ccc(Br)cc3)c(C#N)c3nc4ccccc4n32)c1 ZINC000012566404 553397152 /nfs/dbraw/zinc/39/71/52/553397152.db2.gz MQSCPPHSDZMYKT-JXMROGBWSA-N 0 0 510.391 6.976 50 30 KKEARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)COc2ccccc2C#N)cc1 ZINC000012622727 553404059 /nfs/dbraw/zinc/40/40/59/553404059.db2.gz ZFZXJKWYDAMDDL-MUUNZHRXSA-N 0 0 519.557 5.020 50 30 KKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652315 553409753 /nfs/dbraw/zinc/40/97/53/553409753.db2.gz VYTDSNHQXABWSQ-VKGTZQKMSA-N 0 0 513.981 6.810 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000012656540 553410654 /nfs/dbraw/zinc/41/06/54/553410654.db2.gz KKIWDXVBFWZVNM-LCOYAIQXSA-N 0 0 517.960 6.519 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5n[nH]cc5C[C@]43C)[C@@H]2C1 ZINC000012658366 553411152 /nfs/dbraw/zinc/41/11/52/553411152.db2.gz SIJVNGBTVXITIK-MMPCNZCPSA-N 0 0 506.731 6.577 50 30 biogenic KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5n[nH]cc5C[C@@]34C)[C@@H]2C1 ZINC000012658361 553411261 /nfs/dbraw/zinc/41/12/61/553411261.db2.gz SIJVNGBTVXITIK-COCIYFACSA-N 0 0 506.731 6.577 50 30 biogenic KKEARN CCOC(=O)c1c(N=CNOCc2ccc(Cl)cc2)onc1OCCOC(=O)c1cccc(C(F)(F)F)c1 ZINC000012860218 553422721 /nfs/dbraw/zinc/42/27/21/553422721.db2.gz FNXUVRFKXBYEKK-UHFFFAOYSA-N 0 0 555.893 5.141 50 30 KKEARN CN(/N=C/C(C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000012949748 553428078 /nfs/dbraw/zinc/42/80/78/553428078.db2.gz YIYUEYLCLWIEMF-KLPHOBTLSA-N 0 0 558.775 6.376 50 30 KKEARN COC(=O)c1c2c(sc1NC=NOCc1ccc(Cl)cc1)CN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000012951049 553428351 /nfs/dbraw/zinc/42/83/51/553428351.db2.gz XGJLMOOAIOJZEA-UHFFFAOYSA-N 0 0 559.397 6.390 50 30 aggregator KKEARN CN1C/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000012949949 553428369 /nfs/dbraw/zinc/42/83/69/553428369.db2.gz RIXGVNGMQHIIAH-UOSOPFLXSA-N 0 0 537.606 7.104 50 30 KKEARN COc1ccc(/N=C/C2=C(Sc3ccc(C)cc3)c3cc(-c4ccccc4)n(-c4ccc(OC)cc4)c3CC2)cc1 ZINC000012955098 553429344 /nfs/dbraw/zinc/42/93/44/553429344.db2.gz UNBPAODRDBBHIY-HWLOXFRGSA-N 0 0 556.731 9.322 50 30 KKEARN O=C(O/N=C(\c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000012957238 553429911 /nfs/dbraw/zinc/42/99/11/553429911.db2.gz KCPGAKMODQGNHH-UDDXSFNPSA-N 0 0 513.635 8.318 50 30 KKEARN FC(F)(F)c1cnc(-c2cc(/C(=N/OCc3c(Cl)cccc3Cl)c3ccccc3)on2)c(Cl)c1 ZINC000012959336 553430344 /nfs/dbraw/zinc/43/03/44/553430344.db2.gz JGRCQLMSWPSJJO-RUMWWMSVSA-N 0 0 526.729 7.685 50 30 KKEARN O=c1c(Cc2ccccc2)c(O)c(/C=N/OCc2cccc(Cl)c2)cn1Cc1ccc(Cl)cc1Cl ZINC000012960157 553430580 /nfs/dbraw/zinc/43/05/80/553430580.db2.gz KCUMUJZUYNGMDB-XAZZYMPDSA-N 0 0 527.835 6.704 50 30 KKEARN Clc1ccc(CSC2=Nc3ccccc3C2=NNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 ZINC000012960775 553430725 /nfs/dbraw/zinc/43/07/25/553430725.db2.gz PLTKKFUYRUWKCI-USHMODERSA-N 0 0 515.680 8.747 50 30 KKEARN O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012961277 553431072 /nfs/dbraw/zinc/43/10/72/553431072.db2.gz KMIZJQLYXFYCFD-XODNFHPESA-N 0 0 501.822 7.678 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000013161554 553456811 /nfs/dbraw/zinc/45/68/11/553456811.db2.gz SDBLPFQOAJHIBN-AREMUKBSSA-N 0 0 518.411 6.019 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C2CCCCC2)cc1 ZINC000013286464 553457794 /nfs/dbraw/zinc/45/77/94/553457794.db2.gz FMYFVNWBPXGPJZ-BZUZNSEFSA-N 0 0 507.725 7.517 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(c3cccc(C)c3)C1=O)S2 ZINC000013286308 553457810 /nfs/dbraw/zinc/45/78/10/553457810.db2.gz CNVDIOKXXRXQBR-GROPNIIDSA-N 0 0 509.656 7.336 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc3ncccc3c2)c1 ZINC000013286122 553457825 /nfs/dbraw/zinc/45/78/25/553457825.db2.gz FLSLZGWSESAQRR-SSEVLGFUSA-N 0 0 515.063 7.375 50 30 KKEARN Cc1cc(S(=O)(=O)N(/C=N/c2cccc([N+](=O)[O-])c2C)c2cccc([N+](=O)[O-])c2C)c(C)cc1Cl ZINC000013467990 553459714 /nfs/dbraw/zinc/45/97/14/553459714.db2.gz WYCNUJVRKORYJG-DHRITJCHSA-N 0 0 516.963 5.945 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000013549060 553469970 /nfs/dbraw/zinc/46/99/70/553469970.db2.gz LUNUNBZLAKMUTE-DEOSSOPVSA-N 0 0 500.576 5.659 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000013548361 553469987 /nfs/dbraw/zinc/46/99/87/553469987.db2.gz XZEZXDRNFVFCSB-GDLZYMKVSA-N 0 0 513.634 6.312 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000013569726 553473693 /nfs/dbraw/zinc/47/36/93/553473693.db2.gz VKSLFTRVUSDXHP-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c3cc2C1 ZINC000013574734 553474627 /nfs/dbraw/zinc/47/46/27/553474627.db2.gz VXFCHPFNMSJNOM-CMQXMCPJSA-N 0 0 529.731 7.630 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000013577162 553475212 /nfs/dbraw/zinc/47/52/12/553475212.db2.gz ZJIRRWDAJMKTQN-KIANGILPSA-N 0 0 522.692 5.219 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000013661493 553480927 /nfs/dbraw/zinc/48/09/27/553480927.db2.gz CXRZRTNQEIEIMZ-AOKXBXCXSA-N 0 0 514.434 6.163 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013685608 553485117 /nfs/dbraw/zinc/48/51/17/553485117.db2.gz YUSDMQXBFOCPEL-RWZHXRJHSA-N 0 0 510.752 6.256 50 30 KKEARN CCOc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000013757308 553488264 /nfs/dbraw/zinc/48/82/64/553488264.db2.gz WSJMPKTWOKZJSB-FEDABMHQSA-N 0 0 503.646 6.272 50 30 KKEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000013764489 553488967 /nfs/dbraw/zinc/48/89/67/553488967.db2.gz ZAHAAEUVMNDVSU-BMPNZVKJSA-N 0 0 508.585 6.116 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C ZINC000013809910 553492020 /nfs/dbraw/zinc/49/20/20/553492020.db2.gz ZISOIAJPZQMCGU-NAZSJVEXSA-N 0 0 517.676 5.793 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1ccccc1OCC(=O)Nc1ccc3c(c1)oc1ccccc13)CCCC2 ZINC000013858026 553493484 /nfs/dbraw/zinc/49/34/84/553493484.db2.gz NCVYSULDLDCWSX-UHFFFAOYSA-N 0 0 521.598 6.668 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(F)cc1 ZINC000013880294 553493855 /nfs/dbraw/zinc/49/38/55/553493855.db2.gz JVQWTXXZDKRAIN-UHFFFAOYSA-N 0 0 532.608 6.844 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1F ZINC000013880298 553493886 /nfs/dbraw/zinc/49/38/86/553493886.db2.gz PMSYLZPSVGGTTO-UHFFFAOYSA-N 0 0 518.581 6.454 50 30 KKEARN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000013881030 553493988 /nfs/dbraw/zinc/49/39/88/553493988.db2.gz PJQJGVZCDZAYPW-RGVLZGJSSA-N 0 0 517.401 5.006 50 30 KKEARN CCc1ccc(/N=C2\NC(=O)/C(=C\c3cc(OC)c(O)c(Br)c3Br)S2)cc1 ZINC000013880913 553493991 /nfs/dbraw/zinc/49/39/91/553493991.db2.gz HEXITVZEETWLLU-NTEUORMPSA-N 0 0 512.223 5.380 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000013882120 553494185 /nfs/dbraw/zinc/49/41/85/553494185.db2.gz YEFQGGDTEOUHGY-SLGOVJDISA-N 0 0 509.606 7.076 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000013896395 553494829 /nfs/dbraw/zinc/49/48/29/553494829.db2.gz ZGWJWCBZEVBXQB-KBXCTZIRSA-N 0 0 503.639 6.187 50 30 KKEARN N#Cc1c(NC(=O)CO/N=C/c2ccccc2)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013897227 553495069 /nfs/dbraw/zinc/49/50/69/553495069.db2.gz BPUVMBPPUNIONM-PPOKSSTKSA-N 0 0 502.618 7.188 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000013940172 553496215 /nfs/dbraw/zinc/49/62/15/553496215.db2.gz XAAKKRMVJSNBIN-KGENOOAVSA-N 0 0 522.519 7.136 50 30 KKEARN CCC[C@@H](CNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21)c1ccc(Cl)cc1Cl ZINC000014358344 553512881 /nfs/dbraw/zinc/51/28/81/553512881.db2.gz WCRNMERJDQBYAF-KRWDZBQOSA-N 0 0 511.478 6.767 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000014944864 553521964 /nfs/dbraw/zinc/52/19/64/553521964.db2.gz AQGPFKXVTQFWOQ-LOYIFYEOSA-N 0 0 503.595 5.906 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc(Br)c1OC ZINC000015015652 553525752 /nfs/dbraw/zinc/52/57/52/553525752.db2.gz QBYVDXGPXIFDST-YBEGLDIGSA-N 0 0 512.223 5.511 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(C=Nc2cccc3ccccc32)c2ccccc21 ZINC000015133584 553528208 /nfs/dbraw/zinc/52/82/08/553528208.db2.gz ALSPGQDIZNGPHU-UEOZCJFVSA-N 0 0 504.589 6.793 50 30 KKEARN Cc1ccc(/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2OS(=O)(=O)c2ccccc2)cc1 ZINC000015134714 553528234 /nfs/dbraw/zinc/52/82/34/553528234.db2.gz IUGCNJKORMBPDP-DIBXZPPDSA-N 0 0 507.589 5.281 50 30 KKEARN Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)o1 ZINC000015227660 553529318 /nfs/dbraw/zinc/52/93/18/553529318.db2.gz XRBBBVQKOHJGNU-OVENYABFSA-N 0 0 528.674 7.757 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CC[C@H](C(C)(C)C)C3)c1 ZINC000015945844 553544151 /nfs/dbraw/zinc/54/41/51/553544151.db2.gz NGNUXZRGJNALRK-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@@H](C)C3)cc1 ZINC000015945894 553544188 /nfs/dbraw/zinc/54/41/88/553544188.db2.gz GFCCRGPRCDZWBV-LDMCCHCGSA-N 0 0 522.623 5.688 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CC[C@@H](C(C)(C)C)C3)c1 ZINC000015945846 553544201 /nfs/dbraw/zinc/54/42/01/553544201.db2.gz NGNUXZRGJNALRK-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1C)CC[C@H](C(C)(C)C)C2 ZINC000015946459 553544387 /nfs/dbraw/zinc/54/43/87/553544387.db2.gz KEEKHWQXGUENHK-DGAZYVLHSA-N 0 0 520.695 7.236 50 30 KKEARN COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC(F)F)cc3OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000015980352 553548499 /nfs/dbraw/zinc/54/84/99/553548499.db2.gz SBSAAUZXQGZWGL-WTDSWWLTSA-N 0 0 507.392 6.495 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000015981415 553548868 /nfs/dbraw/zinc/54/88/68/553548868.db2.gz KPNCCGSKDNTGQZ-UHFFFAOYSA-N 0 0 514.651 5.915 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1[C@](c1ccccc1)(C(F)(F)F)N=C(Nc1ccc(C)cc1)O2 ZINC000015981529 553548875 /nfs/dbraw/zinc/54/88/75/553548875.db2.gz ZZENFCDNUQTHOJ-AREMUKBSSA-N 0 0 506.484 5.443 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(F)cc1 ZINC000016035107 553551786 /nfs/dbraw/zinc/55/17/86/553551786.db2.gz VAZDHWAZPIYUOX-UQCRZPQQSA-N 0 0 512.028 6.666 50 30 KKEARN COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000016035679 553552319 /nfs/dbraw/zinc/55/23/19/553552319.db2.gz JLESMDBVBYCIDC-KGENOOAVSA-N 0 0 519.557 5.406 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nnc1-c1ccc(Cl)cc1 ZINC000016043633 553553304 /nfs/dbraw/zinc/55/33/04/553553304.db2.gz KGMTVAZRNBFONZ-UHFFFAOYSA-N 0 0 508.785 5.186 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC(C)C)=C(C)NC4=C3C(=O)C[C@H](c3ccc(F)cc3)C4)c(=O)c2c1 ZINC000016293781 553559387 /nfs/dbraw/zinc/55/93/87/553559387.db2.gz KSMVMIVVQJUXRH-XHCCPWGMSA-N 0 0 501.554 5.554 50 30 KKEARN CCCOc1ccc(/C=N/N(C)c2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c(O)c1 ZINC000016310152 553559706 /nfs/dbraw/zinc/55/97/06/553559706.db2.gz OINPRSQQDQTTSC-RDRPBHBLSA-N 0 0 517.427 6.538 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2ccc(C)o2)ccc1OC(C)C ZINC000016426460 553563005 /nfs/dbraw/zinc/56/30/05/553563005.db2.gz IWBKTFLUPHSHET-PWWNZBMUSA-N 0 0 535.637 5.468 50 30 KKEARN CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccccc1F ZINC000016689281 553573468 /nfs/dbraw/zinc/57/34/68/553573468.db2.gz PJKIGTPVAUOFLX-APTWKGOFSA-N 0 0 528.649 7.747 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000016729651 553575930 /nfs/dbraw/zinc/57/59/30/553575930.db2.gz BZKYYGPUXVXCBS-MHZLTWQESA-N 0 0 501.579 5.232 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016730021 553576344 /nfs/dbraw/zinc/57/63/44/553576344.db2.gz PYNZZLSCOXQBFR-IXCJQBJRSA-N 0 0 521.654 6.192 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016729991 553576346 /nfs/dbraw/zinc/57/63/46/553576346.db2.gz TXUZIRZGSAPCSH-HHHXNRCGSA-N 0 0 503.595 6.416 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733224 553577896 /nfs/dbraw/zinc/57/78/96/553577896.db2.gz SXTKEPGTQDKLPO-HXUWFJFHSA-N 0 0 508.796 5.116 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016733191 553577900 /nfs/dbraw/zinc/57/79/00/553577900.db2.gz NKEAFJSBHRCHAZ-QHCPKHFHSA-N 0 0 512.393 5.423 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000016733221 553577952 /nfs/dbraw/zinc/57/79/52/553577952.db2.gz KITUWVNUNRRWBJ-SANMLTNESA-N 0 0 521.997 6.146 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733525 553578047 /nfs/dbraw/zinc/57/80/47/553578047.db2.gz YPRJTJPGYHIRRN-OAQYLSRUSA-N 0 0 516.775 5.873 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000016733528 553578054 /nfs/dbraw/zinc/57/80/54/553578054.db2.gz YPRJTJPGYHIRRN-NRFANRHFSA-N 0 0 516.775 5.873 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016733537 553578160 /nfs/dbraw/zinc/57/81/60/553578160.db2.gz LNZKSDBEVFPCOW-OAQYLSRUSA-N 0 0 506.769 6.417 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOc3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016735713 553578906 /nfs/dbraw/zinc/57/89/06/553578906.db2.gz WWDBFSZCLLFQHK-NDEPHWFRSA-N 0 0 513.590 5.616 50 30 KKEARN CC(C)CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016736861 553579089 /nfs/dbraw/zinc/57/90/89/553579089.db2.gz NTXLNLBNSIHMAK-SANMLTNESA-N 0 0 503.551 5.254 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016737469 553579316 /nfs/dbraw/zinc/57/93/16/553579316.db2.gz FEJIDIULBBLOFF-MUUNZHRXSA-N 0 0 520.541 5.424 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)ccc1OCCC(C)C ZINC000016805868 553583203 /nfs/dbraw/zinc/58/32/03/553583203.db2.gz FZMZBTYGCADCMJ-UHFFFAOYSA-N 0 0 505.005 8.318 50 30 KKEARN CCCCCCC(CC(=O)CCC(=O)NCCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016953511 553584874 /nfs/dbraw/zinc/58/48/74/553584874.db2.gz LVEYLPKWEKMZMC-SGWCAAJKSA-N 0 0 511.579 5.340 50 30 KKEARN CCCCc1ccc2[nH]c(C)c(CCNC(c3ccc(Cl)cc3)=C3C(=O)N(C)C(=O)N(C)C3=O)c2c1 ZINC000016957047 553585172 /nfs/dbraw/zinc/58/51/72/553585172.db2.gz KVMHWHUAWBJXGQ-JVCXMKTPSA-N 0 0 507.034 5.171 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017166807 553589711 /nfs/dbraw/zinc/58/97/11/553589711.db2.gz FSEKYVOGXCJFNB-GVXSCFBNSA-N 0 0 524.013 5.063 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017180243 553590092 /nfs/dbraw/zinc/59/00/92/553590092.db2.gz QGOQZBBCFZMCNE-PMERELPUSA-N 0 0 527.621 7.578 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@@H]2c1cccc(F)c1 ZINC000017242310 553590921 /nfs/dbraw/zinc/59/09/21/553590921.db2.gz FKKARROXABPYDX-HXUWFJFHSA-N 0 0 506.559 5.722 50 30 KKEARN O=C(Nc1ccccc1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575355 553591131 /nfs/dbraw/zinc/59/11/31/553591131.db2.gz ZNSJFNNRKLUACB-WCBMZHEXSA-N 0 0 571.183 6.498 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242480 553591199 /nfs/dbraw/zinc/59/11/99/553591199.db2.gz SHKUVCSKQSGBSY-FQEVSTJZSA-N 0 0 506.559 5.722 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5ccc(OC)c(OC)c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664565 553594648 /nfs/dbraw/zinc/59/46/48/553594648.db2.gz GOSYUKPWUIGIFO-NQFJYRFQSA-N 0 0 576.862 9.958 50 30 biogenic KKEARN CCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070665022 553595518 /nfs/dbraw/zinc/59/55/18/553595518.db2.gz CWJKYZBNMBLVGW-MHXGLHHASA-N 0 0 542.845 8.705 50 30 biogenic KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070665353 553596085 /nfs/dbraw/zinc/59/60/85/553596085.db2.gz IHAKLGIJTRDLFE-AWTZXSBLSA-N 0 0 510.847 10.198 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070669852 553599215 /nfs/dbraw/zinc/59/92/15/553599215.db2.gz VXHGZMADPGKYHA-UKQHQADTSA-N 0 0 556.831 9.080 50 30 biogenic KKEARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000017863072 553600207 /nfs/dbraw/zinc/60/02/07/553600207.db2.gz WVECGOSHLCROMP-SMIHKQSGSA-N 0 0 520.010 5.212 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018045345 553602122 /nfs/dbraw/zinc/60/21/22/553602122.db2.gz GZCWSEBHFBQBQX-FCEKVYKBSA-N 0 0 511.578 5.187 50 30 KKEARN COc1ccc(/C(=N\OC(=O)c2ccccc2Br)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000070673136 553603439 /nfs/dbraw/zinc/60/34/39/553603439.db2.gz DJRSUYYYHVRWAX-QCWLDUFUSA-N 0 0 551.393 5.641 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000018115303 553604728 /nfs/dbraw/zinc/60/47/28/553604728.db2.gz POLJJJIQMJYCTQ-JCOAXYOVSA-N 0 0 517.044 7.960 50 30 KKEARN CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1OC ZINC000018114577 553604743 /nfs/dbraw/zinc/60/47/43/553604743.db2.gz HJGPRSHUPYNJTP-JFLMPSFJSA-N 0 0 519.505 6.610 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2cccc(Br)c2)C=C1C=Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000018116850 553604993 /nfs/dbraw/zinc/60/49/93/553604993.db2.gz HGPIYAMQXTUOQI-SHMJXLNPSA-N 0 0 513.420 8.597 50 30 KKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2cnc3ccccc3n2)nc1 ZINC000018117042 553605013 /nfs/dbraw/zinc/60/50/13/553605013.db2.gz ONYGMHGHIJVWRP-DFXYEROKSA-N 0 0 501.590 5.334 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000020190680 553605630 /nfs/dbraw/zinc/60/56/30/553605630.db2.gz XDBCDFBHLIPMFE-NFQMXDRXSA-N 0 0 507.652 5.362 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000018137085 553605669 /nfs/dbraw/zinc/60/56/69/553605669.db2.gz CKZBFZYZUNEYFC-HFJWLAOPSA-N 0 0 510.487 6.297 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000018129000 553605674 /nfs/dbraw/zinc/60/56/74/553605674.db2.gz CZJPLLGGDUWVIZ-NFQMXDRXSA-N 0 0 517.551 6.409 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000018137091 553605724 /nfs/dbraw/zinc/60/57/24/553605724.db2.gz CKZBFZYZUNEYFC-DWXRJYCRSA-N 0 0 510.487 6.297 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc(OC)c1 ZINC000018142923 553606036 /nfs/dbraw/zinc/60/60/36/553606036.db2.gz MLSJSZFTSVEINR-HEIROHQZSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000018172570 553607184 /nfs/dbraw/zinc/60/71/84/553607184.db2.gz NTILTAXXHDKBHE-INJOXJOKSA-N 0 0 508.662 7.485 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000018172574 553607231 /nfs/dbraw/zinc/60/72/31/553607231.db2.gz NTILTAXXHDKBHE-OGVWKLGRSA-N 0 0 508.662 7.485 50 30 KKEARN CN=C(Nc1ccc(Cl)c(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000018193973 553608337 /nfs/dbraw/zinc/60/83/37/553608337.db2.gz IECQBKJOQHKDIF-OAHLLOKOSA-N 0 0 510.752 5.938 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccccc1[N+](=O)[O-] ZINC000018193451 553608411 /nfs/dbraw/zinc/60/84/11/553608411.db2.gz ZVZZWEGYWOLMQC-NDEPHWFRSA-N 0 0 554.603 5.492 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000018197071 553608651 /nfs/dbraw/zinc/60/86/51/553608651.db2.gz FFCGUMSHEQQCKZ-FPTDNZKUSA-N 0 0 508.430 6.492 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000018245898 553611124 /nfs/dbraw/zinc/61/11/24/553611124.db2.gz UKOLKPOFSMCTLU-OJEZVBBGSA-N 0 0 503.624 5.957 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000018247135 553611313 /nfs/dbraw/zinc/61/13/13/553611313.db2.gz HDIGNRULVHZOKO-HMHYKHAESA-N 0 0 523.636 5.094 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692393 553611652 /nfs/dbraw/zinc/61/16/52/553611652.db2.gz WXDLBYTWLXNNTA-ITVWNSKRSA-N 0 0 524.874 10.588 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000018325059 553612225 /nfs/dbraw/zinc/61/22/25/553612225.db2.gz WDGYXGDEIGGBHT-ROTAYESASA-N 0 0 514.622 6.778 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cc(Br)c1O ZINC000019201987 553612828 /nfs/dbraw/zinc/61/28/28/553612828.db2.gz ZVQQIDDRYJSCMJ-KRWDZBQOSA-N 0 0 513.226 5.084 50 30 KKEARN CC(=O)[C@H]1[C@@H]([C@H](C#N)c2nc(-c3ccccc3)cs2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697710 553613063 /nfs/dbraw/zinc/61/30/63/553613063.db2.gz LWIGAZWGTRVWEI-JVOGKLAGSA-N 0 0 514.735 7.172 50 30 biogenic KKEARN OC1(CC#CCN2CCN(CC#CCC3(O)c4ccccc4-c4ccccc43)CC2)c2ccccc2-c2ccccc21 ZINC000019366738 553614058 /nfs/dbraw/zinc/61/40/58/553614058.db2.gz QXBSIDYUPAMWNK-UHFFFAOYSA-N 0 0 550.702 5.224 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000019535821 553614612 /nfs/dbraw/zinc/61/46/12/553614612.db2.gz PXFDYWKGMCPWIS-QFIPXVFZSA-N 0 0 518.448 5.643 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)OCCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070698681 553614798 /nfs/dbraw/zinc/61/47/98/553614798.db2.gz KVPMCLKPCBKTGV-IQKAZFNHSA-N 0 0 514.835 10.418 50 30 biogenic KKEARN C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 ZINC000070698869 553615038 /nfs/dbraw/zinc/61/50/38/553615038.db2.gz VIEYZFXQTPXFTM-DYISQMODSA-N 0 0 549.708 5.019 50 30 biogenic KKEARN COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 ZINC000020228631 553616329 /nfs/dbraw/zinc/61/63/29/553616329.db2.gz DLUZNRDICGTFDG-ZMOGYAJESA-N 0 0 509.809 5.003 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000019774810 553616339 /nfs/dbraw/zinc/61/63/39/553616339.db2.gz PQJJSAZGUULVDW-DEOSSOPVSA-N 0 0 512.400 5.178 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019798577 553617177 /nfs/dbraw/zinc/61/71/77/553617177.db2.gz FBXRCVPFHWSREI-XRHLQHRESA-N 0 0 505.998 5.916 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000019804521 553617494 /nfs/dbraw/zinc/61/74/94/553617494.db2.gz RETWXHMPEDLMPJ-DEOSSOPVSA-N 0 0 519.956 5.808 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000019804565 553617536 /nfs/dbraw/zinc/61/75/36/553617536.db2.gz JFHOGYZOKCWRGU-DEOSSOPVSA-N 0 0 516.937 5.569 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000019804618 553617683 /nfs/dbraw/zinc/61/76/83/553617683.db2.gz NJEPNECKARDOEI-XMMPIXPASA-N 0 0 519.956 5.808 50 30 KKEARN CC(=O)OC(C)(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000070701530 553622299 /nfs/dbraw/zinc/62/22/99/553622299.db2.gz YLLWVNGLWTVDBS-JDHKWJTPSA-N 0 0 602.809 6.021 50 30 biogenic KKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000019832342 553622926 /nfs/dbraw/zinc/62/29/26/553622926.db2.gz VNMRREGCGJJBHU-UQBPGWFLSA-N 0 0 510.428 5.771 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000019848307 553623610 /nfs/dbraw/zinc/62/36/10/553623610.db2.gz PBUVVYDDASTWSP-UHFFFAOYSA-N 0 0 508.559 5.039 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000019848591 553623621 /nfs/dbraw/zinc/62/36/21/553623621.db2.gz ZFTAAHUTCSAKMW-QFIPXVFZSA-N 0 0 520.464 5.891 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019848738 553623894 /nfs/dbraw/zinc/62/38/94/553623894.db2.gz XLUZFRMFDZZCMI-OUTSHDOLSA-N 0 0 508.574 5.742 50 30 KKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019880617 553629127 /nfs/dbraw/zinc/62/91/27/553629127.db2.gz NEYBMRWJRMEGLA-DFHRPNOPSA-N 0 0 501.623 5.592 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000019880963 553629459 /nfs/dbraw/zinc/62/94/59/553629459.db2.gz CBBQCOKUNOFLPT-NSYGIPOTSA-N 0 0 512.002 5.376 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000019880959 553629543 /nfs/dbraw/zinc/62/95/43/553629543.db2.gz CBBQCOKUNOFLPT-GKVSMKOHSA-N 0 0 512.002 5.376 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000019892452 553630858 /nfs/dbraw/zinc/63/08/58/553630858.db2.gz ILEIRHXDHMUTCQ-ZQDHAPQSSA-N 0 0 510.030 6.061 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000019892376 553630864 /nfs/dbraw/zinc/63/08/64/553630864.db2.gz KVQKOKREOORSOV-WINIVTDRSA-N 0 0 526.029 5.299 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C)c1 ZINC000019892384 553630875 /nfs/dbraw/zinc/63/08/75/553630875.db2.gz WCBGFYQZZHAHFI-SKCUWOTOSA-N 0 0 521.679 5.670 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)cc1 ZINC000019892566 553631097 /nfs/dbraw/zinc/63/10/97/553631097.db2.gz NNWPIPOCMLOGSV-MNNSJKJDSA-N 0 0 535.637 5.044 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000019892535 553631117 /nfs/dbraw/zinc/63/11/17/553631117.db2.gz AELFOMNPMYSOTC-XJTARGMPSA-N 0 0 521.679 6.129 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000019892675 553631349 /nfs/dbraw/zinc/63/13/49/553631349.db2.gz VKVVZFWBZZNONR-RBTNQOKQSA-N 0 0 521.679 6.131 50 30 KKEARN CCCNC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@]2(C)C1 ZINC000070708528 553633053 /nfs/dbraw/zinc/63/30/53/553633053.db2.gz NJSITOSCQOTWFD-TVMUDSDESA-N 0 0 525.818 7.244 50 30 biogenic KKEARN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070712411 553634248 /nfs/dbraw/zinc/63/42/48/553634248.db2.gz RRLQCDVGNBTFIN-BKJROJODSA-N 0 0 566.739 5.069 50 30 biogenic KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020322600 553637932 /nfs/dbraw/zinc/63/79/32/553637932.db2.gz GIZCCLNHARMUOO-YHAMSUFESA-N 0 0 519.981 5.887 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2)cc1OC ZINC000020367641 553643213 /nfs/dbraw/zinc/64/32/13/553643213.db2.gz QXNMNRVRAAINPM-JHOBJCJYSA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000020367613 553643218 /nfs/dbraw/zinc/64/32/18/553643218.db2.gz CNAJNCWVRIMXPK-CHJDUVSTSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(C)c2)cc1OC ZINC000020367633 553643259 /nfs/dbraw/zinc/64/32/59/553643259.db2.gz RAVWFMTUVFNHAO-QXNWPYRLSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000020367615 553643286 /nfs/dbraw/zinc/64/32/86/553643286.db2.gz CNAJNCWVRIMXPK-RCRUUEGKSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2)cc1OC ZINC000020418782 553647721 /nfs/dbraw/zinc/64/77/21/553647721.db2.gz CYUIACPDVJWPCO-JHOBJCJYSA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000020058077 553671375 /nfs/dbraw/zinc/67/13/75/553671375.db2.gz UVMOHAJWAKLTTG-DJUQAAIZSA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000020058076 553671458 /nfs/dbraw/zinc/67/14/58/553671458.db2.gz UVMOHAJWAKLTTG-WVXBCFDCSA-N 0 0 509.602 5.809 50 30 KKEARN CC(C)[C@@H]1C[C@@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1 ZINC000079216826 553671512 /nfs/dbraw/zinc/67/15/12/553671512.db2.gz IZGIQQFCMXUBRR-MNFOEHAWSA-N 0 0 691.906 5.392 50 30 biogenic KKEARN CC(C)[C@H]1C[C@@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1 ZINC000079216828 553671540 /nfs/dbraw/zinc/67/15/40/553671540.db2.gz IZGIQQFCMXUBRR-ULZCZYLTSA-N 0 0 691.906 5.392 50 30 biogenic KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)sc2C1 ZINC000020572188 553674250 /nfs/dbraw/zinc/67/42/50/553674250.db2.gz AEBJBIXMTVATRW-HZPDHXFCSA-N 0 0 526.753 5.893 50 30 KKEARN O=C(Nc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1)c1ccco1 ZINC000020575660 553675530 /nfs/dbraw/zinc/67/55/30/553675530.db2.gz LUUFIIDCJOYDOB-JCMHNJIXSA-N 0 0 505.577 5.080 50 30 KKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(Oc4ccccc4)cc3)S2(=O)=O)cc1 ZINC000020575721 553675585 /nfs/dbraw/zinc/67/55/85/553675585.db2.gz OTTVIAHLJKKLJF-UQQQWYQISA-N 0 0 502.617 6.335 50 30 KKEARN CCOc1ccc2[nH]c(=NC=C3C(=O)c4sccc4N(Cc4ccc(F)cc4)S3(=O)=O)sc2c1 ZINC000020575823 553675600 /nfs/dbraw/zinc/67/56/00/553675600.db2.gz LDCFRXPKKGRNBK-NDENLUEZSA-N 0 0 515.613 5.382 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000020071658 553676019 /nfs/dbraw/zinc/67/60/19/553676019.db2.gz SDHONRMCMIACRN-UHFFFAOYSA-N 0 0 513.106 8.127 50 30 KKEARN COc1ccc(NN=CC(Cc2ccccc2)=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000020073840 553676217 /nfs/dbraw/zinc/67/62/17/553676217.db2.gz YKYYHLHOSJKTAX-WEMUVCOSSA-N 0 0 502.574 5.627 50 30 KKEARN COc1ccc2ccccc2c1CN=Nc1nc(NCc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000020074389 553676234 /nfs/dbraw/zinc/67/62/34/553676234.db2.gz XVEOJZCHSNETEV-YKQZZPSBSA-N 0 0 520.553 5.743 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NCCOc1ccc(Cl)cc1 ZINC000020076425 553676261 /nfs/dbraw/zinc/67/62/61/553676261.db2.gz BFBRUMALDOVTCP-CCVNUDIWSA-N 0 0 500.020 6.127 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 ZINC000085410534 553680695 /nfs/dbraw/zinc/68/06/95/553680695.db2.gz CRICUHUUPGAGKN-UHFFFAOYSA-N 0 0 514.607 5.091 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(C)c1C)C[C@@](C)(c1cccnc1)O2 ZINC000020685948 553688968 /nfs/dbraw/zinc/68/89/68/553688968.db2.gz BTAVHLQCOSKRHW-NOJQWQQXSA-N 0 0 518.639 5.029 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000087515313 553693236 /nfs/dbraw/zinc/69/32/36/553693236.db2.gz QKENRHXGDUPTEM-LLEIAEIESA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN COc1c2c(cc3c1[C@H](C#CCOc1ccc4c(c1)CC[C@H]1[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]41)N(C)CC3)OCO2 ZINC000020114000 553695402 /nfs/dbraw/zinc/69/54/02/553695402.db2.gz ZRQMXWHSXXGXDP-CNTYYIPZSA-N 0 0 527.661 5.461 50 30 biogenic KKEARN CCCCCOc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000020115466 553697101 /nfs/dbraw/zinc/69/71/01/553697101.db2.gz QZEACMXZNWODDI-GWXBKVTISA-N 0 0 537.744 8.377 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3cc4ccccc4oc3=O)c2C#N)cc1 ZINC000020814475 553698876 /nfs/dbraw/zinc/69/88/76/553698876.db2.gz YNUUPUIZWJKBOI-UHFFFAOYSA-N 0 0 510.575 5.334 50 30 KKEARN O=C(Nc1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095100582 553698940 /nfs/dbraw/zinc/69/89/40/553698940.db2.gz QFESRMIBQDKINL-UHFFFAOYSA-N 0 0 618.081 7.397 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100596 553698951 /nfs/dbraw/zinc/69/89/51/553698951.db2.gz CVBBSSLKMTZZJG-ZBFHGGJFSA-N 0 0 659.377 8.353 50 30 KKEARN CCOC(=O)c1ccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000095100407 553698953 /nfs/dbraw/zinc/69/89/53/553698953.db2.gz VVKWLQFIVPFYBR-UHFFFAOYSA-N 0 0 680.290 7.641 50 30 KKEARN COc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OC ZINC000095100607 553698960 /nfs/dbraw/zinc/69/89/60/553698960.db2.gz WVCJQGWSGGJZLY-UHFFFAOYSA-N 0 0 629.263 6.660 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000020841973 553699093 /nfs/dbraw/zinc/69/90/93/553699093.db2.gz DCRFSRUKHRPNJC-UHFFFAOYSA-N 0 0 509.606 5.541 50 30 KKEARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100625 553699227 /nfs/dbraw/zinc/69/92/27/553699227.db2.gz KPNKBXKDAGFSPT-WPRPVWTQSA-N 0 0 616.180 6.406 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cc(C)ccc4C)nn32)cc1OC ZINC000020850605 553699939 /nfs/dbraw/zinc/69/99/39/553699939.db2.gz KRXRGBMQJWBUKL-VWLOTQADSA-N 0 0 504.656 5.863 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccco5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471794 553701445 /nfs/dbraw/zinc/70/14/45/553701445.db2.gz MPAPPMPDRHHDIF-QANQQMCJSA-N 0 0 518.782 8.732 50 30 KKEARN CC(C)(C)OC(=O)NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1 ZINC000095642793 553706348 /nfs/dbraw/zinc/70/63/48/553706348.db2.gz KQYRKAUORDFEOC-UHFFFAOYSA-N 0 0 502.586 5.863 50 30 KKEARN C/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000095628002 553706353 /nfs/dbraw/zinc/70/63/53/553706353.db2.gz OGHZCSINIMWCSB-GHIQLMQGSA-N 0 0 582.869 9.206 50 30 in-vitro KKEARN CCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)[C@H](Sc1nnnn1-c1ccccc1)C2 ZINC000095660882 553706706 /nfs/dbraw/zinc/70/67/06/553706706.db2.gz VGJZRWUMCGDMEB-RUZDIDTESA-N 0 0 505.688 6.421 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000095671258 553707283 /nfs/dbraw/zinc/70/72/83/553707283.db2.gz OTZYGTLBGUNRBX-UHFFFAOYSA-N 0 0 554.271 6.074 50 30 KKEARN C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676691 553707463 /nfs/dbraw/zinc/70/74/63/553707463.db2.gz DCXZWVLJCYXHDV-LURJTMIESA-N 0 0 562.216 5.866 50 30 KKEARN OCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681668 553707603 /nfs/dbraw/zinc/70/76/03/553707603.db2.gz MUCVGEGAZDOIDJ-CSKARUKUSA-N 0 0 588.342 8.665 50 30 KKEARN C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681744 553707849 /nfs/dbraw/zinc/70/78/49/553707849.db2.gz RPDBRTLKDYJCCE-ZCFIWIBFSA-N 0 0 512.209 5.231 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681848 553707852 /nfs/dbraw/zinc/70/78/52/553707852.db2.gz QRLOKTBZZPZAMX-RGMCWDTJSA-N 0 0 618.080 7.326 50 30 KKEARN OCC(F)(F)[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681852 553707961 /nfs/dbraw/zinc/70/79/61/553707961.db2.gz ZVOWIXGGKDLFPF-GSVOUGTGSA-N 0 0 500.095 5.623 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681850 553707966 /nfs/dbraw/zinc/70/79/66/553707966.db2.gz QRLOKTBZZPZAMX-PVMRKTGGSA-N 0 0 618.080 7.326 50 30 KKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Sc3ncn(-c4ccc5c(n4)nc(C(F)(F)F)cc5C(F)(F)F)n3)nc2n1 ZINC000095691534 553708252 /nfs/dbraw/zinc/70/82/52/553708252.db2.gz UKIIIQUAXCNYFW-UHFFFAOYSA-N 0 0 629.390 7.380 50 30 KKEARN COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095686729 553708271 /nfs/dbraw/zinc/70/82/71/553708271.db2.gz FMEDKXCQTKWGKE-UHFFFAOYSA-N 0 0 576.102 5.599 50 30 KKEARN FC(F)(F)c1oc(-c2ccccc2Cl)cc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000095704598 553709233 /nfs/dbraw/zinc/70/92/33/553709233.db2.gz CGCFVNOATNBLNM-UHFFFAOYSA-N 0 0 526.742 8.373 50 30 KKEARN CC(C)c1ccc(N2C(=O)Cc3c2nc2c4c(nc(N5CCCCC5)c(C#N)c34)NC3(CCCCC3)N2)cc1 ZINC000021486385 553709819 /nfs/dbraw/zinc/70/98/19/553709819.db2.gz MXFGUCORROSKBX-UHFFFAOYSA-N 0 0 521.669 6.334 50 30 KKEARN O=C(/C=C/C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742632 553712211 /nfs/dbraw/zinc/71/22/11/553712211.db2.gz NDHKTZXMXMXSDD-OWOJBTEDSA-N 0 0 538.288 6.895 50 30 KKEARN FC(F)(F)c1cnc(N2CCCN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c(Cl)c1 ZINC000095749410 553712844 /nfs/dbraw/zinc/71/28/44/553712844.db2.gz IDLYGKHJXGVECK-UHFFFAOYSA-N 0 0 550.878 6.701 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095892001 553714791 /nfs/dbraw/zinc/71/47/91/553714791.db2.gz SBXRJHNUDDUDJV-SANMLTNESA-N 0 0 503.599 5.128 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000096022752 553722621 /nfs/dbraw/zinc/72/26/21/553722621.db2.gz CKOGNWQLTXOYOY-ZZUBLQEUSA-N 0 0 519.683 6.905 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000096022826 553722824 /nfs/dbraw/zinc/72/28/24/553722824.db2.gz PFTYNKBMHOPLQK-LJQANCHMSA-N 0 0 524.282 8.504 50 30 KKEARN N#Cc1cccc([C@@H](CC(=O)NCc2ccccc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000096292498 553746488 /nfs/dbraw/zinc/74/64/88/553746488.db2.gz GYUXGZXGUIKTGZ-MUUNZHRXSA-N 0 0 522.023 7.192 50 30 KKEARN COc1ccc(/C=N/N(C)c2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c(OC)c1 ZINC000022591036 553747940 /nfs/dbraw/zinc/74/79/40/553747940.db2.gz PDSCZRRCARBFPC-OGLMXYFKSA-N 0 0 503.400 6.061 50 30 KKEARN COC(=O)c1cccc(-n2c(C)cc(/C=C3\S/C(=N/c4cccc(Cl)c4Cl)NC3=O)c2C)c1C ZINC000096471771 553754547 /nfs/dbraw/zinc/75/45/47/553754547.db2.gz UFMPSMBXPJAEAB-MTJSOVHGSA-N 0 0 514.434 6.388 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000096793130 553757339 /nfs/dbraw/zinc/75/73/39/553757339.db2.gz TXMDMOSDDYJOIA-QFIPXVFZSA-N 0 0 500.382 5.257 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097939630 553759984 /nfs/dbraw/zinc/75/99/84/553759984.db2.gz OCTNFYJLKUMLSR-DETVKUJNSA-N 0 0 535.662 5.388 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000097939724 553760785 /nfs/dbraw/zinc/76/07/85/553760785.db2.gz UGUYIWADEBRANA-IIOOSLMMSA-N 0 0 546.458 5.734 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939747 553761084 /nfs/dbraw/zinc/76/10/84/553761084.db2.gz ZTAKJJSTPDDYMB-KCEHZKJRSA-N 0 0 583.681 6.356 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939785 553761310 /nfs/dbraw/zinc/76/13/10/553761310.db2.gz WWRACAHLGJEBNK-JRPXNJEYSA-N 0 0 611.757 5.778 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000097939841 553761843 /nfs/dbraw/zinc/76/18/43/553761843.db2.gz TWOUPJHABJJSEE-UGDMGKLASA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000097939854 553761885 /nfs/dbraw/zinc/76/18/85/553761885.db2.gz HDZQJPSEHOUXKQ-PRAQEBQASA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1 ZINC000097939857 553761894 /nfs/dbraw/zinc/76/18/94/553761894.db2.gz WNHDPIIAWBRJIM-JRPXNJEYSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000097939926 553762493 /nfs/dbraw/zinc/76/24/93/553762493.db2.gz GZWVWGLQEYCUDL-RCRUUEGKSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000097939902 553762555 /nfs/dbraw/zinc/76/25/55/553762555.db2.gz ZNQSZMZUHINGEX-JRPXNJEYSA-N 0 0 588.060 6.574 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(OC)c1O ZINC000097939966 553762786 /nfs/dbraw/zinc/76/27/86/553762786.db2.gz LTVWQHUIGZAXHX-OLRZCDJHSA-N 0 0 532.593 5.415 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000097939942 553762803 /nfs/dbraw/zinc/76/28/03/553762803.db2.gz SGEBLTFVENOUIO-WKRVVKTRSA-N 0 0 570.711 6.435 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OCC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097939989 553762968 /nfs/dbraw/zinc/76/29/68/553762968.db2.gz DZVXTHJGINVNSW-IIMAJNMQSA-N 0 0 595.689 5.061 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(OC)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000097940020 553763320 /nfs/dbraw/zinc/76/33/20/553763320.db2.gz PIMOYAPGLYGNEE-KCEHZKJRSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(OC)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000097940021 553763332 /nfs/dbraw/zinc/76/33/32/553763332.db2.gz PIMOYAPGLYGNEE-APYJYERMSA-N 0 0 568.670 6.111 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(I)cc2)c1-c1ccc(C#N)cc1 ZINC000097940442 553765099 /nfs/dbraw/zinc/76/50/99/553765099.db2.gz QTQFRNLEAWCCML-UHFFFAOYSA-N 0 0 549.412 6.673 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2Cl)c1-c1ccc(C#N)cc1 ZINC000097940444 553765142 /nfs/dbraw/zinc/76/51/42/553765142.db2.gz CLIVPTXRLYCIKP-UHFFFAOYSA-N 0 0 525.958 7.741 50 30 KKEARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940591 553766386 /nfs/dbraw/zinc/76/63/86/553766386.db2.gz UIOPZVLQXBZGNI-UHFFFAOYSA-N 0 0 573.415 7.406 50 30 KKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC ZINC000097944278 553769016 /nfs/dbraw/zinc/76/90/16/553769016.db2.gz AHZZHULAOVWYNO-RRKDMDGFSA-O 0 0 563.781 6.510 50 30 in-vitro KKEARN CCCCCCCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCCCCCCC)c1 ZINC000097945212 553770617 /nfs/dbraw/zinc/77/06/17/553770617.db2.gz LDYBDLOTRODAOZ-UHFFFAOYSA-N 0 0 500.812 8.988 50 30 KKEARN CCCCCCCCCCCCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097945238 553770674 /nfs/dbraw/zinc/77/06/74/553770674.db2.gz NOBRHLLQMLKYTD-BYVQZYKMSA-N 0 0 515.694 6.733 50 30 KKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4cccc(C(F)(F)F)c4)n3C)sc2C1 ZINC000097945727 553774346 /nfs/dbraw/zinc/77/43/46/553774346.db2.gz GGRDQMGEFCWNNC-AWEZNQCLSA-N 0 0 535.617 5.592 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4cccc(C(F)(F)F)c4)n3C)sc2C1 ZINC000097945726 553774354 /nfs/dbraw/zinc/77/43/54/553774354.db2.gz GGRDQMGEFCWNNC-CQSZACIVSA-N 0 0 535.617 5.592 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097945955 553775694 /nfs/dbraw/zinc/77/56/94/553775694.db2.gz ZKSZHNLBXARCAH-GZGVDWRWSA-N 0 0 539.695 7.619 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)c(C(=O)/C=C/c3ccccc3)cc2C(=O)/C=C/c2ccccc2)cc1 ZINC000097945991 553775907 /nfs/dbraw/zinc/77/59/07/553775907.db2.gz LOCYUCUSOSNOFC-GJHDBBOXSA-N 0 0 678.784 7.631 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000097946398 553778996 /nfs/dbraw/zinc/77/89/96/553778996.db2.gz WDWWHUHNTVEXBP-BWAHOGKJSA-N 0 0 505.709 7.028 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1OC ZINC000097946509 553779821 /nfs/dbraw/zinc/77/98/21/553779821.db2.gz LITZQASLFUGVAT-HZHRSRAPSA-N 0 0 532.493 6.420 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S ZINC000097946515 553780058 /nfs/dbraw/zinc/78/00/58/553780058.db2.gz IDGXVZOCTHRFPN-WMMMYUQOSA-N 0 0 610.289 9.714 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000097946644 553780739 /nfs/dbraw/zinc/78/07/39/553780739.db2.gz NKBZSYBOCGVJKB-SNNSLFBDSA-N 0 0 512.745 5.739 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S ZINC000097946631 553780778 /nfs/dbraw/zinc/78/07/78/553780778.db2.gz CBXHVOOVLZIGAL-XHPQRKPJSA-N 0 0 537.726 7.639 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023447356 553780883 /nfs/dbraw/zinc/78/08/83/553780883.db2.gz SKTKSTIVGPYGHY-AREMUKBSSA-N 0 0 524.448 5.590 50 30 KKEARN Cc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097946755 553781607 /nfs/dbraw/zinc/78/16/07/553781607.db2.gz IZFCCJLAMBFXNC-XAJMEMKASA-N 0 0 543.645 6.460 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 ZINC000097947139 553783940 /nfs/dbraw/zinc/78/39/40/553783940.db2.gz YTQUHVOPVGPHON-SNCSUOKWSA-N 0 0 582.729 7.991 50 30 KKEARN COc1ccc(OC)c(-c2cccc(-c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)n2)c1 ZINC000023456967 553784472 /nfs/dbraw/zinc/78/44/72/553784472.db2.gz YEXRTTNJEZXQNN-UHFFFAOYSA-N 0 0 502.386 6.204 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097947490 553786487 /nfs/dbraw/zinc/78/64/87/553786487.db2.gz OOEXGZQEJORTJM-MDINZUHSSA-N 0 0 690.778 5.150 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)c(C)c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097947485 553786518 /nfs/dbraw/zinc/78/65/18/553786518.db2.gz PEHGHGHDVJTWJM-FUZBLHKMSA-N 0 0 688.806 5.701 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097947465 553786564 /nfs/dbraw/zinc/78/65/64/553786564.db2.gz UNXDEJNQZGTCGK-XNENXQGPSA-N 0 0 660.752 5.002 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947500 553786820 /nfs/dbraw/zinc/78/68/20/553786820.db2.gz GTOZZNXHYXVWRD-JNBZWXGDSA-N 0 0 718.832 5.847 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947657 553787799 /nfs/dbraw/zinc/78/77/99/553787799.db2.gz ZIVWDSCZZSQJDN-DTDQMKFYSA-N 0 0 651.144 5.396 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)c2nc3ccccc3o2)cc1 ZINC000097947660 553787818 /nfs/dbraw/zinc/78/78/18/553787818.db2.gz MLOXDURVIYWHSQ-MOHJPFBDSA-N 0 0 528.402 8.063 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)c2nc3ccccc3o2)cc1 ZINC000097947718 553788287 /nfs/dbraw/zinc/78/82/87/553788287.db2.gz KIAVTXNMRXGQNA-OOAXWGSJSA-N 0 0 568.069 8.671 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCC)c2)c2nc3ccccc3o2)cc1 ZINC000097947727 553788582 /nfs/dbraw/zinc/78/85/82/553788582.db2.gz CKYGLVIDXVTDQH-IADYIPOJSA-N 0 0 547.651 8.408 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097947887 553789448 /nfs/dbraw/zinc/78/94/48/553789448.db2.gz OXYFERPBQACBJV-DWXRJYCRSA-N 0 0 545.388 7.765 50 30 KKEARN C=CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000097947968 553790244 /nfs/dbraw/zinc/79/02/44/553790244.db2.gz DAMPEPLQFFNYON-OAHLLOKOSA-N 0 0 547.628 5.851 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000024193153 553790278 /nfs/dbraw/zinc/79/02/78/553790278.db2.gz HFHFEXQMRSAXQZ-HXUWFJFHSA-N 0 0 519.604 5.470 50 30 KKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CCSCCC(=O)Nc3sc4c(c3C#N)CC[C@H](CC)C4)sc2C1 ZINC000097948148 553791484 /nfs/dbraw/zinc/79/14/84/553791484.db2.gz OJDQYENPPYPBND-ROUUACIJSA-N 0 0 554.807 6.673 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(F)(F)F)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000097948309 553792923 /nfs/dbraw/zinc/79/29/23/553792923.db2.gz LFOLCOSIEXKAQA-JIYROHSKSA-N 0 0 562.632 8.195 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097948383 553793318 /nfs/dbraw/zinc/79/33/18/553793318.db2.gz AWDWPLVUWSMPOS-CHJDUVSTSA-N 0 0 566.595 7.858 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000097948804 553796897 /nfs/dbraw/zinc/79/68/97/553796897.db2.gz LAWAZZKJFXTFSY-AIJWEMPKSA-N 0 0 604.722 8.618 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000097948792 553796939 /nfs/dbraw/zinc/79/69/39/553796939.db2.gz PJKNVXLENSAYFX-KCEHZKJRSA-N 0 0 603.933 8.870 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(Br)cc2)c1-c1ccc(C#N)cc1 ZINC000025152443 553796991 /nfs/dbraw/zinc/79/69/91/553796991.db2.gz UWJVIZVHUZXGJO-UHFFFAOYSA-N 0 0 502.412 6.831 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097949143 553799652 /nfs/dbraw/zinc/79/96/52/553799652.db2.gz JLVNIBDQKBOMHV-IYLMVCPTSA-N 0 0 650.728 6.953 50 30 KKEARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097949135 553799806 /nfs/dbraw/zinc/79/98/06/553799806.db2.gz CIAIKKCLGJLZHY-UHFFFAOYSA-N 0 0 649.307 7.369 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(F)ccc2Br)c1-c1ccc(C#N)cc1 ZINC000025159043 553800837 /nfs/dbraw/zinc/80/08/37/553800837.db2.gz KTAGQFVSRBRQAI-UHFFFAOYSA-N 0 0 520.402 6.970 50 30 KKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097949257 553800891 /nfs/dbraw/zinc/80/08/91/553800891.db2.gz PWLIAIYREBQCRL-DHUJRADRSA-N 0 0 691.055 10.473 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(SC(F)(F)F)c2)c1-c1ccc(C#N)cc1 ZINC000025160454 553802138 /nfs/dbraw/zinc/80/21/38/553802138.db2.gz OHGVSFSLXVHNQS-UHFFFAOYSA-N 0 0 523.580 7.681 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCC)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000097949808 553803171 /nfs/dbraw/zinc/80/31/71/553803171.db2.gz LLJDPDHFBANEHH-PBUKZNKTSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949827 553803465 /nfs/dbraw/zinc/80/34/65/553803465.db2.gz ZHXXMSNJEJNVHG-UHFFFAOYSA-N 0 0 700.602 13.428 50 30 KKEARN OC/C(I)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949821 553803471 /nfs/dbraw/zinc/80/34/71/553803471.db2.gz SXRMLCYYQWTVLG-IWQZZHSRSA-N 0 0 602.022 6.307 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCC)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000097949810 553803474 /nfs/dbraw/zinc/80/34/74/553803474.db2.gz LLJDPDHFBANEHH-YUYWZBKDSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000097950380 553804236 /nfs/dbraw/zinc/80/42/36/553804236.db2.gz QQEVVFQCGJHLOW-UHFFFAOYSA-N 0 0 535.692 6.868 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950744 553805550 /nfs/dbraw/zinc/80/55/50/553805550.db2.gz ZQVVRJGDVCIAFK-OAQYLSRUSA-N 0 0 518.784 8.919 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097950907 553805977 /nfs/dbraw/zinc/80/59/77/553805977.db2.gz PRZAENMOGHMALP-HSZRJFAPSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000097950915 553805993 /nfs/dbraw/zinc/80/59/93/553805993.db2.gz NAFDEMAXWOZJJC-JOCHJYFZSA-N 0 0 557.459 8.530 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl ZINC000097950894 553805995 /nfs/dbraw/zinc/80/59/95/553805995.db2.gz LJHOAWKEJCEBFE-OAQYLSRUSA-N 0 0 529.336 8.174 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000097950944 553806279 /nfs/dbraw/zinc/80/62/79/553806279.db2.gz YZAQMCWQVNPVSX-QHCPKHFHSA-N 0 0 506.946 7.571 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097950956 553806317 /nfs/dbraw/zinc/80/63/17/553806317.db2.gz DFIIVVGDGFKBRX-JOCHJYFZSA-N 0 0 568.011 7.785 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097951009 553806506 /nfs/dbraw/zinc/80/65/06/553806506.db2.gz CUCAJEDSFQNRFD-UHFFFAOYSA-N 0 0 527.365 7.219 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000097951022 553806542 /nfs/dbraw/zinc/80/65/42/553806542.db2.gz MDTMPFIIFHDGOI-NSYGIPOTSA-N 0 0 548.458 7.307 50 30 KKEARN CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000097951136 553807240 /nfs/dbraw/zinc/80/72/40/553807240.db2.gz PRQYMJWINXVGSL-VBMGMRCRSA-N 0 0 539.705 7.309 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097951169 553807561 /nfs/dbraw/zinc/80/75/61/553807561.db2.gz XPDGVBPCBXXBTO-UHFFFAOYSA-N 0 0 539.830 9.119 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951234 553807825 /nfs/dbraw/zinc/80/78/25/553807825.db2.gz LPRDGIFQGDGJQC-SMCANUKXSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000097951306 553808122 /nfs/dbraw/zinc/80/81/22/553808122.db2.gz BKYGTHIHFAFWKC-WJOKGBTCSA-N 0 0 517.754 9.055 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097951436 553809000 /nfs/dbraw/zinc/80/90/00/553809000.db2.gz DKERBHNWQHEKHH-NRUKRWIHSA-N 0 0 536.672 7.081 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097951435 553809064 /nfs/dbraw/zinc/80/90/64/553809064.db2.gz DKERBHNWQHEKHH-BNHRFMORSA-N 0 0 536.672 7.081 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000097951673 553810630 /nfs/dbraw/zinc/81/06/30/553810630.db2.gz JSRPCHIQBWURCP-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097951747 553811112 /nfs/dbraw/zinc/81/11/12/553811112.db2.gz HNKJOTIKEFESTF-VWLOTQADSA-N 0 0 542.613 5.881 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951767 553811192 /nfs/dbraw/zinc/81/11/92/553811192.db2.gz FNTXSCXTKVOGOV-HSZRJFAPSA-N 0 0 533.005 6.136 50 30 KKEARN N=C1O[C@@H](c2ccccc2Cl)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025585338 553812256 /nfs/dbraw/zinc/81/22/56/553812256.db2.gz YFTAZFZTWDKELA-CRTOWKIWSA-N 0 0 503.993 7.631 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097952178 553813831 /nfs/dbraw/zinc/81/38/31/553813831.db2.gz SJVJCVCNHGMNNW-QFIPXVFZSA-N 0 0 535.419 6.159 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952270 553814295 /nfs/dbraw/zinc/81/42/95/553814295.db2.gz MDSGGGUCBMILEJ-DEOSSOPVSA-N 0 0 535.021 6.312 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952313 553814830 /nfs/dbraw/zinc/81/48/30/553814830.db2.gz RRLUUEASXKDGDH-AREMUKBSSA-N 0 0 526.614 6.269 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097952293 553814838 /nfs/dbraw/zinc/81/48/38/553814838.db2.gz IYAFGAPWDXNDIN-AREMUKBSSA-N 0 0 542.657 6.702 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952559 553816676 /nfs/dbraw/zinc/81/66/76/553816676.db2.gz INUYJXGEODQJFB-MHZLTWQESA-N 0 0 540.641 6.578 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097952593 553816989 /nfs/dbraw/zinc/81/69/89/553816989.db2.gz CAKWCCGPPRAEBZ-RUZDIDTESA-N 0 0 526.416 6.106 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097952946 553818205 /nfs/dbraw/zinc/81/82/05/553818205.db2.gz OJHHGRDAFRJRAX-SSEXGKCCSA-N 0 0 533.580 5.815 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000026459132 553818591 /nfs/dbraw/zinc/81/85/91/553818591.db2.gz YQFCURFXIWPPHC-SANMLTNESA-N 0 0 523.557 5.639 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097953047 553818885 /nfs/dbraw/zinc/81/88/85/553818885.db2.gz NRSQCUIRNSRHIV-HEIROHQZSA-N 0 0 545.635 6.410 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097953045 553818956 /nfs/dbraw/zinc/81/89/56/553818956.db2.gz NRSQCUIRNSRHIV-JIYROHSKSA-N 0 0 545.635 6.410 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000097953058 553819209 /nfs/dbraw/zinc/81/92/09/553819209.db2.gz HFSCGEJKSQEHRG-QFIPXVFZSA-N 0 0 547.382 5.263 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097954150 553821623 /nfs/dbraw/zinc/82/16/23/553821623.db2.gz MBAPXEGTLPWMMI-ACSYHNTCSA-N 0 0 545.632 6.349 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000026841755 553821670 /nfs/dbraw/zinc/82/16/70/553821670.db2.gz KVRIRQGDPHOPSO-DEOSSOPVSA-N 0 0 511.405 6.263 50 30 KKEARN C=CCSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000027017413 553823132 /nfs/dbraw/zinc/82/31/32/553823132.db2.gz SQRQNACVCBPRTD-RGEXLXHISA-N 0 0 500.070 5.900 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000027021738 553824361 /nfs/dbraw/zinc/82/43/61/553824361.db2.gz XBJNUXSVADILKC-OAQYLSRUSA-N 0 0 517.632 6.024 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000097954647 553824405 /nfs/dbraw/zinc/82/44/05/553824405.db2.gz ZYHJSZVKEVUGTO-HKBQPEDESA-N 0 0 543.840 10.127 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954733 553824892 /nfs/dbraw/zinc/82/48/92/553824892.db2.gz RFSYKWUMXWSXAX-YKGWIAGDSA-N 0 0 549.627 5.454 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954735 553824900 /nfs/dbraw/zinc/82/49/00/553824900.db2.gz RFSYKWUMXWSXAX-RCRUUEGKSA-N 0 0 549.627 5.454 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954739 553824942 /nfs/dbraw/zinc/82/49/42/553824942.db2.gz UKODMAVGVHFVGM-HEIROHQZSA-N 0 0 545.635 6.410 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097954769 553825372 /nfs/dbraw/zinc/82/53/72/553825372.db2.gz MVZOSVJOUXKDQR-IIMAJNMQSA-N 0 0 541.644 6.019 50 30 KKEARN C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(Cl)c4)N=C3C)o2)ccc1Cl ZINC000027499784 553826359 /nfs/dbraw/zinc/82/63/59/553826359.db2.gz VKPJQNYJAKGKKB-AQTBWJFISA-N 0 0 515.780 7.056 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000097954908 553826465 /nfs/dbraw/zinc/82/64/65/553826465.db2.gz QSNIEWFIDBHETG-QHCPKHFHSA-N 0 0 534.634 5.817 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955029 553827409 /nfs/dbraw/zinc/82/74/09/553827409.db2.gz BFIQYJCVKFNWGX-ADSBAMQRSA-N 0 0 616.711 7.509 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955134 553829082 /nfs/dbraw/zinc/82/90/82/553829082.db2.gz MVMDIRUTSOXQNM-LDLUVENISA-N 0 0 602.684 6.975 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955245 553830273 /nfs/dbraw/zinc/83/02/73/553830273.db2.gz ZJAGHHNVGGFHQH-MRDQGFSESA-N 0 0 526.614 6.110 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955255 553830350 /nfs/dbraw/zinc/83/03/50/553830350.db2.gz FNMAQXFMRKZTMM-SGANQWHYSA-N 0 0 547.032 6.455 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955270 553830492 /nfs/dbraw/zinc/83/04/92/553830492.db2.gz XFSIUCDLKCCTKI-YMGMXPECSA-N 0 0 586.641 6.505 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097955578 553831604 /nfs/dbraw/zinc/83/16/04/553831604.db2.gz SBDGKARZIVDEJT-RCRUUEGKSA-N 0 0 549.627 5.454 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955622 553831999 /nfs/dbraw/zinc/83/19/99/553831999.db2.gz GTZKUPSZKACDOV-NDEPHWFRSA-N 0 0 602.665 6.047 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(CCC)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000027533933 553832371 /nfs/dbraw/zinc/83/23/71/553832371.db2.gz MWESZJWXTNIZQK-UAJGQANVSA-N 0 0 518.639 5.609 50 30 KKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027547308 553832980 /nfs/dbraw/zinc/83/29/80/553832980.db2.gz NPDSLGKIRUUREY-HSZRJFAPSA-N 0 0 502.964 6.910 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000027547655 553833235 /nfs/dbraw/zinc/83/32/35/553833235.db2.gz PDLIXUICZQBEGL-HSZRJFAPSA-N 0 0 500.586 6.670 50 30 KKEARN COc1ccc(-c2cn3c(/C(O)=N/S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000097955745 553833561 /nfs/dbraw/zinc/83/35/61/553833561.db2.gz HJTMOLUIZOIMHY-UHFFFAOYSA-N 0 0 539.657 6.422 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955769 553833973 /nfs/dbraw/zinc/83/39/73/553833973.db2.gz DBORTZYUYVMKJJ-YHAMSUFESA-N 0 0 526.614 5.974 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000027550958 553834405 /nfs/dbraw/zinc/83/44/05/553834405.db2.gz FRPGCMHXGQHEDG-IBVKSMDESA-N 0 0 515.704 6.482 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000097955842 553834655 /nfs/dbraw/zinc/83/46/55/553834655.db2.gz LLTBIZLPLMRARC-ODCWNRFASA-N 0 0 528.586 5.507 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955851 553834731 /nfs/dbraw/zinc/83/47/31/553834731.db2.gz BSHIIZCSTUITQC-BZQUYTCOSA-N 0 0 528.586 5.420 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ncccc31)O2 ZINC000097956250 553837007 /nfs/dbraw/zinc/83/70/07/553837007.db2.gz FSTDRUHGQQDWCL-KXQOOQHDSA-N 0 0 567.862 11.085 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097956569 553839808 /nfs/dbraw/zinc/83/98/08/553839808.db2.gz JOYRKHIDEAISSM-JRTUOMDPSA-N 0 0 680.754 6.961 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5cccc(Cl)c5)n42)COC(C)(C)C3)cc1 ZINC000097956645 553840462 /nfs/dbraw/zinc/84/04/62/553840462.db2.gz GDBZMXCTZGLHEK-UHFFFAOYSA-N 0 0 533.057 5.889 50 30 KKEARN COc1cccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)c1 ZINC000097956732 553841087 /nfs/dbraw/zinc/84/10/87/553841087.db2.gz NXJXAJCJHJJHDD-UHFFFAOYSA-N 0 0 528.638 5.244 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956827 553842157 /nfs/dbraw/zinc/84/21/57/553842157.db2.gz NPIAVXWGVDHOGY-DEOSSOPVSA-N 0 0 560.672 6.192 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956826 553842344 /nfs/dbraw/zinc/84/23/44/553842344.db2.gz NPIAVXWGVDHOGY-XMMPIXPASA-N 0 0 560.672 6.192 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956842 553842517 /nfs/dbraw/zinc/84/25/17/553842517.db2.gz GATGNPMXDZKNAA-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956866 553842529 /nfs/dbraw/zinc/84/25/29/553842529.db2.gz LMUUCLHAOZOOHK-MHZLTWQESA-N 0 0 582.678 6.471 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956851 553842663 /nfs/dbraw/zinc/84/26/63/553842663.db2.gz RRFYTZYQLGAWPN-QFIPXVFZSA-N 0 0 536.606 5.127 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956843 553842688 /nfs/dbraw/zinc/84/26/88/553842688.db2.gz GATGNPMXDZKNAA-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000029492310 553845745 /nfs/dbraw/zinc/84/57/45/553845745.db2.gz KIOWPJLSGSLJOT-CNJLXQHASA-N 0 0 521.592 6.115 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000029748952 553850415 /nfs/dbraw/zinc/85/04/15/553850415.db2.gz LBNSWCUCWBAHCQ-UVDDSOTQSA-N 0 0 603.737 6.167 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(Br)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000030072271 553855054 /nfs/dbraw/zinc/85/50/54/553855054.db2.gz CHJAIQPVRFZWEP-WGARJPEWSA-N 0 0 533.390 6.092 50 30 KKEARN Cc1oc2c(cc3c(-c4ccccc4)c/c(=N/N=C/c4cn(C)c5ccccc45)oc3c2C)c1-c1ccccc1 ZINC000030822726 553857176 /nfs/dbraw/zinc/85/71/76/553857176.db2.gz HNOFXGJJJZDNGV-GCKLLOAASA-N 0 0 521.620 8.556 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O ZINC000097959014 553859749 /nfs/dbraw/zinc/85/97/49/553859749.db2.gz LLHLERUHNUVJSR-AERZKKPOSA-N 0 0 517.432 6.722 50 30 KKEARN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000097959207 553861782 /nfs/dbraw/zinc/86/17/82/553861782.db2.gz YRYBRNOOGXAPLK-ZGOFBEGVSA-N 0 0 606.542 5.019 50 30 KKEARN CCCCCCc1ccc(OCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000097959231 553862109 /nfs/dbraw/zinc/86/21/09/553862109.db2.gz HLDGKQCFSIYRRH-INKHBPHZSA-N 0 0 557.743 6.099 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)c(OC)c1 ZINC000097959260 553862340 /nfs/dbraw/zinc/86/23/40/553862340.db2.gz QZWOBVQGQQWLLP-USHMODERSA-N 0 0 547.698 6.292 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)nnc1-c1ccc(Br)o1 ZINC000097959314 553862640 /nfs/dbraw/zinc/86/26/40/553862640.db2.gz ZBAGAKCLWJNPAD-UHFFFAOYSA-N 0 0 571.309 6.648 50 30 KKEARN CCOc1cc(Br)cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC(C)C)C2=O)c1O ZINC000032107132 553862704 /nfs/dbraw/zinc/86/27/04/553862704.db2.gz FPSBUJPZGOYEJD-GQCLMTPZSA-N 0 0 505.434 5.822 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959651 553865220 /nfs/dbraw/zinc/86/52/20/553865220.db2.gz TVKXJMKIXYSCPZ-FZWCJVCJSA-N 0 0 538.069 5.950 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959725 553865860 /nfs/dbraw/zinc/86/58/60/553865860.db2.gz QZICMOJOGMVPBR-IMEPGBNMSA-N 0 0 591.686 5.092 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000097959840 553866412 /nfs/dbraw/zinc/86/64/12/553866412.db2.gz HWSKXGZUGZXLJX-MUUNZHRXSA-N 0 0 637.462 6.086 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000097960099 553868284 /nfs/dbraw/zinc/86/82/84/553868284.db2.gz KJHSKNQNUVXHNR-WGOQTCKBSA-N 0 0 624.475 7.453 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc(I)c1OCC ZINC000097960137 553868614 /nfs/dbraw/zinc/86/86/14/553868614.db2.gz XSTGGNUYLMHADW-BOPFTXTBSA-N 0 0 528.799 5.634 50 30 KKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Br)cc(I)c3O)S2)c1 ZINC000097960142 553868618 /nfs/dbraw/zinc/86/86/18/553868618.db2.gz DVCSOXBLTHDZOS-CHHVJCJISA-N 0 0 529.197 5.268 50 30 KKEARN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000097960201 553868914 /nfs/dbraw/zinc/86/89/14/553868914.db2.gz WQVRDZORWYRCLU-IRATXWBSSA-N 0 0 542.701 6.952 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097960269 553869550 /nfs/dbraw/zinc/86/95/50/553869550.db2.gz ZJXCGRFHVSJLCJ-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2F)cc1OC ZINC000097960352 553870598 /nfs/dbraw/zinc/87/05/98/553870598.db2.gz UVZZFRDPJVXZNA-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccccc1/N=C1\S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1OC ZINC000097960799 553873296 /nfs/dbraw/zinc/87/32/96/553873296.db2.gz QVBQLKZYVGXQOA-HZVMBZBSSA-N 0 0 540.616 7.231 50 30 KKEARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OCc1ccccc1C#N ZINC000097961088 553875143 /nfs/dbraw/zinc/87/51/43/553875143.db2.gz RDZUPHOYKVOXPB-ZMOGYAJESA-N 0 0 533.993 5.474 50 30 KKEARN C[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2ccccc2SCC#N)/C(=C/c2ccco2)C1 ZINC000032910935 553876075 /nfs/dbraw/zinc/87/60/75/553876075.db2.gz YMMOPFGBRSWVMR-ZMESVYRVSA-N 0 0 523.614 6.362 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000032939922 553876785 /nfs/dbraw/zinc/87/67/85/553876785.db2.gz UMSDJINUYUPTLL-RRFFURKPSA-N 0 0 509.075 5.750 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccccc2)cc1OC ZINC000097962011 553882282 /nfs/dbraw/zinc/88/22/82/553882282.db2.gz WHHMKURQLSFJDG-CTXJTIKKSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962051 553882554 /nfs/dbraw/zinc/88/25/54/553882554.db2.gz YCRAHEMLDDKWMR-FRJOBGHKSA-N 0 0 603.639 5.481 50 30 KKEARN Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)C=Cc3ccc4c(c3)OCO4)c3cc(Br)ccc32)c1 ZINC000097962081 553882822 /nfs/dbraw/zinc/88/28/22/553882822.db2.gz RLCCQGMMLAAEAK-KXTHUWMESA-N 0 0 534.406 5.202 50 30 KKEARN Clc1ccc(COc2c(Br)cc(C=NNc3nc4ccccc4s3)cc2Br)cc1 ZINC000097962094 553883034 /nfs/dbraw/zinc/88/30/34/553883034.db2.gz VHDDZHOOOWGMHB-OPEKNORGSA-N 0 0 551.691 7.500 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)S/C1=N\c1ccc(OC)cc1 ZINC000097963039 553886370 /nfs/dbraw/zinc/88/63/70/553886370.db2.gz BPEIMMYPPQSJET-QFVKKHJYSA-N 0 0 579.925 7.106 50 30 KKEARN COc1ccc(Cl)cc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)c(OC)cc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000097964046 553895953 /nfs/dbraw/zinc/89/59/53/553895953.db2.gz JUTPJLDDPLWHNA-JYSVBTJUSA-N 0 0 571.139 7.590 50 30 KKEARN COc1ccc(OC)c(NC(=O)c2c(/N=C/c3ccc(OC)c(OC)c3OC)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000097964048 553895960 /nfs/dbraw/zinc/89/59/60/553895960.db2.gz BOVQAAXJSFRKIN-GSCKTCQSSA-N 0 0 566.720 6.945 50 30 KKEARN COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000097964061 553896232 /nfs/dbraw/zinc/89/62/32/553896232.db2.gz YZZWZYGLMGYWEW-BSNPAPFTSA-N 0 0 633.471 5.726 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccccc1C ZINC000097964087 553896365 /nfs/dbraw/zinc/89/63/65/553896365.db2.gz HMWHMAZFFGVFGD-IPPBACCNSA-N 0 0 526.445 7.489 50 30 KKEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000097964260 553896942 /nfs/dbraw/zinc/89/69/42/553896942.db2.gz ZBOPVAGOJMWZRS-XMSLFVONSA-N 0 0 540.475 5.277 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)/C(=N/c3ccccc3)S2)cc1 ZINC000097965358 553904133 /nfs/dbraw/zinc/90/41/33/553904133.db2.gz UPFFMOYZZITCLT-FSYZUEHXSA-N 0 0 646.811 8.035 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965446 553904735 /nfs/dbraw/zinc/90/47/35/553904735.db2.gz LSCAIUGOFICGHC-WVLDPRMZSA-N 0 0 527.559 5.351 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2(CN=Nc2nc3ccccc3s2)c2ccccc21 ZINC000097965468 553904750 /nfs/dbraw/zinc/90/47/50/553904750.db2.gz ZTIFAPRUGODDSV-FPEUKIMBSA-N 0 0 540.648 5.941 50 30 KKEARN N=C(Nc1nccs1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965543 553905540 /nfs/dbraw/zinc/90/55/40/553905540.db2.gz MNABUQLNPCOOIG-VDTYLAMSSA-N 0 0 577.216 6.004 50 30 KKEARN N=C(Nc1nc2ccccc2s1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965544 553905557 /nfs/dbraw/zinc/90/55/57/553905557.db2.gz UEDVETDNTOFKOT-GXSJLCMTSA-N 0 0 627.276 7.158 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097966272 553907772 /nfs/dbraw/zinc/90/77/72/553907772.db2.gz PYSUTMWGXOAGBZ-PEMLLDSZSA-N 0 0 531.637 6.950 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC000097966307 553908131 /nfs/dbraw/zinc/90/81/31/553908131.db2.gz XPXRHYXVIDDRLQ-FJXAFNGESA-N 0 0 533.093 7.864 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000097966744 553910039 /nfs/dbraw/zinc/91/00/39/553910039.db2.gz IKUGMHWMCTWTHB-AREMUKBSSA-N 0 0 571.512 5.093 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1 ZINC000097966794 553910414 /nfs/dbraw/zinc/91/04/14/553910414.db2.gz XBKOPFMOZUEHHR-AREMUKBSSA-N 0 0 550.449 5.951 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097966809 553910755 /nfs/dbraw/zinc/91/07/55/553910755.db2.gz RSLWOEQFJHTOBG-SSEXGKCCSA-N 0 0 567.642 5.456 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097966842 553910777 /nfs/dbraw/zinc/91/07/77/553910777.db2.gz OGWCBFZVKWTKIE-JCOAXYOVSA-N 0 0 565.622 6.359 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000097966875 553911477 /nfs/dbraw/zinc/91/14/77/553911477.db2.gz DXYJHNMWZWDCJK-GDLZYMKVSA-N 0 0 605.529 5.637 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000033157333 553911839 /nfs/dbraw/zinc/91/18/39/553911839.db2.gz IYFWRMRTAFOTLU-FZKWRIDDSA-N 0 0 519.561 6.163 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1OC ZINC000097966970 553912353 /nfs/dbraw/zinc/91/23/53/553912353.db2.gz OBPUFAPSYROPSV-LJAQVGFWSA-N 0 0 545.632 5.596 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000097967038 553913052 /nfs/dbraw/zinc/91/30/52/553913052.db2.gz DNBRIAFRHJHESA-SANMLTNESA-N 0 0 571.512 5.093 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000097967048 553913157 /nfs/dbraw/zinc/91/31/57/553913157.db2.gz LSQRGCCOAXAQCM-AREMUKBSSA-N 0 0 571.512 5.093 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967135 553914377 /nfs/dbraw/zinc/91/43/77/553914377.db2.gz VHVCWLHRSHYVOP-YTTGMZPUSA-N 0 0 584.713 6.123 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967155 553914516 /nfs/dbraw/zinc/91/45/16/553914516.db2.gz FZXBUJCIFHECFY-PMERELPUSA-N 0 0 593.721 8.563 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967205 553915332 /nfs/dbraw/zinc/91/53/32/553915332.db2.gz PFNXADBMZQSIJS-IPBJYNAHSA-N 0 0 592.733 5.278 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967238 553915743 /nfs/dbraw/zinc/91/57/43/553915743.db2.gz ZEWSBWXRXLWYKX-GSTQUKTASA-N 0 0 648.737 7.389 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967247 553915832 /nfs/dbraw/zinc/91/58/32/553915832.db2.gz KJUYEXJOIBAZRY-SGANQWHYSA-N 0 0 565.478 7.326 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967271 553916383 /nfs/dbraw/zinc/91/63/83/553916383.db2.gz GHOPCFOADZDUFM-WENCNXQZSA-N 0 0 598.721 7.207 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967323 553916719 /nfs/dbraw/zinc/91/67/19/553916719.db2.gz OKHBFMJEIYKJCC-SANMLTNESA-N 0 0 558.612 5.648 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967306 553916760 /nfs/dbraw/zinc/91/67/60/553916760.db2.gz YTDJRYOERMVAFZ-ODCWNRFASA-N 0 0 556.596 5.198 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967317 553916775 /nfs/dbraw/zinc/91/67/75/553916775.db2.gz CHMVSBHKVCKRGA-UKPGIYTDSA-N 0 0 612.748 7.597 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967319 553916823 /nfs/dbraw/zinc/91/68/23/553916823.db2.gz XPRNTVKAFJGEPL-SSEXGKCCSA-N 0 0 614.720 6.901 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967478 553918886 /nfs/dbraw/zinc/91/88/86/553918886.db2.gz DRKGSZLCPZJMID-IZHWHUGBSA-N 0 0 561.457 6.474 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967502 553919281 /nfs/dbraw/zinc/91/92/81/553919281.db2.gz AXXGRNXMMXHESC-LJAQVGFWSA-N 0 0 575.662 5.147 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000097967485 553919397 /nfs/dbraw/zinc/91/93/97/553919397.db2.gz KXYWRFHWXYMQTM-LJAQVGFWSA-N 0 0 553.615 5.153 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967513 553919500 /nfs/dbraw/zinc/91/95/00/553919500.db2.gz ZERQKSOSMFROFS-JMQGSBJISA-N 0 0 570.667 6.590 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967566 553920186 /nfs/dbraw/zinc/92/01/86/553920186.db2.gz GYKHENBMFVNPET-UKPGIYTDSA-N 0 0 612.748 7.679 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967586 553920551 /nfs/dbraw/zinc/92/05/51/553920551.db2.gz JLXAYMFFMKXVDE-GKVSMKOHSA-N 0 0 576.671 5.913 50 30 KKEARN COc1cc(/C=C2/S/C(=N/C(C)=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000033293504 553920614 /nfs/dbraw/zinc/92/06/14/553920614.db2.gz WMBXZCCGKFOLAG-CIAFOILYSA-N 0 0 511.397 5.296 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967721 553922153 /nfs/dbraw/zinc/92/21/53/553922153.db2.gz AKPYIBNLIPDZIL-KEEVHDRGSA-N 0 0 598.721 7.289 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000097967726 553922287 /nfs/dbraw/zinc/92/22/87/553922287.db2.gz ORDZHIIVRBSKHB-PNQUVVCRSA-N 0 0 581.308 8.488 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967766 553922880 /nfs/dbraw/zinc/92/28/80/553922880.db2.gz QWTKHTQEXANXAI-SONOPUAISA-N 0 0 640.714 6.322 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967803 553923671 /nfs/dbraw/zinc/92/36/71/553923671.db2.gz XKXGISCDPXUTEV-WEZXKFLESA-N 0 0 634.710 6.999 50 30 KKEARN O=C(Nc1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000033353302 553924356 /nfs/dbraw/zinc/92/43/56/553924356.db2.gz NVUDYHGUPNEAOB-UHFFFAOYSA-N 0 0 573.630 7.288 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccccc3)c(OC)c2)c1C#N ZINC000033353378 553924737 /nfs/dbraw/zinc/92/47/37/553924737.db2.gz MSFZBAMEQBOCIQ-UVHMKAGCSA-N 0 0 542.377 5.046 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3cccc4ccccc43)c(OC)c2)c1C#N ZINC000033353377 553924808 /nfs/dbraw/zinc/92/48/08/553924808.db2.gz HDAQYZJJVNUEGE-IBBHUPRXSA-N 0 0 545.437 6.357 50 30 KKEARN FC(F)(F)C(Oc1nc(NCc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000033353663 553926536 /nfs/dbraw/zinc/92/65/36/553926536.db2.gz MXROSMKMHWBTLW-UHFFFAOYSA-N 0 0 518.258 5.228 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000033353708 553926717 /nfs/dbraw/zinc/92/67/17/553926717.db2.gz KKXMVUGWRAOVST-VWLOTQADSA-N 0 0 536.934 5.078 50 30 KKEARN Cc1csc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2C#N)n1 ZINC000033353847 553927250 /nfs/dbraw/zinc/92/72/50/553927250.db2.gz XMIAYARACOJVPU-UHFFFAOYSA-N 0 0 521.465 6.546 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968164 553928859 /nfs/dbraw/zinc/92/88/59/553928859.db2.gz WEBPSHQTYZVXAD-KWMCUTETSA-N 0 0 572.658 7.111 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ncc(Br)cc2Br)nc2c(c1-c1ccccc1)CCCC2 ZINC000033354348 553929462 /nfs/dbraw/zinc/92/94/62/553929462.db2.gz AIJGXJKWWZMYTN-UHFFFAOYSA-N 0 0 558.299 6.150 50 30 KKEARN N#Cc1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nc2c(c1-c1ccc(Cl)cc1)CCC2 ZINC000033354377 553929511 /nfs/dbraw/zinc/92/95/11/553929511.db2.gz OLJQDESCPAHUJQ-UHFFFAOYSA-N 0 0 656.625 7.781 50 30 KKEARN O=C(NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000033354451 553929677 /nfs/dbraw/zinc/92/96/77/553929677.db2.gz HQDRUXYJQGYCQQ-UHFFFAOYSA-N 0 0 573.468 5.635 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@](F)(O[C@@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033354442 553929682 /nfs/dbraw/zinc/92/96/82/553929682.db2.gz KXJDIALQJFVHGQ-WPRPVWTQSA-N 0 0 650.079 7.260 50 30 KKEARN CCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000033354400 553929741 /nfs/dbraw/zinc/92/97/41/553929741.db2.gz WBBKNVDNKDNPOJ-UHFFFAOYSA-N 0 0 502.765 8.023 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000033354517 553929978 /nfs/dbraw/zinc/92/99/78/553929978.db2.gz MEOHFBKZCHMCQD-UHFFFAOYSA-N 0 0 534.060 5.735 50 30 biogenic KKEARN CCCCCCCCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000033354470 553930003 /nfs/dbraw/zinc/93/00/03/553930003.db2.gz HHQLWHKWERDALQ-UHFFFAOYSA-N 0 0 562.535 7.628 50 30 KKEARN O=C(N[C@H](c1ccc(Br)cc1)[C@@H](/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000033354492 553930066 /nfs/dbraw/zinc/93/00/66/553930066.db2.gz GHWKKSYJCZXFKZ-VJLCQWMNSA-N 0 0 720.097 9.068 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033354684 553930795 /nfs/dbraw/zinc/93/07/95/553930795.db2.gz QHALWPNBLRJJLP-JXSYCYSGSA-N 0 0 632.713 7.022 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000033354665 553930820 /nfs/dbraw/zinc/93/08/20/553930820.db2.gz GEGDYHYQKVHQKW-OIVXELCOSA-N 0 0 661.223 9.594 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968347 553930804 /nfs/dbraw/zinc/93/08/04/553930804.db2.gz QMZDGQSIGVMSPD-XGCWNURASA-N 0 0 554.624 5.976 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968346 553930815 /nfs/dbraw/zinc/93/08/15/553930815.db2.gz QMZDGQSIGVMSPD-SOKVYYICSA-N 0 0 554.624 5.976 50 30 KKEARN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(/N=C/c3c(O)ccc4ccccc43)c2)cc(C(=O)OC)c1 ZINC000033355039 553932830 /nfs/dbraw/zinc/93/28/30/553932830.db2.gz BPYSVOPMUMPLQY-WKULSOCRSA-N 0 0 552.992 5.323 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097968586 553933449 /nfs/dbraw/zinc/93/34/49/553933449.db2.gz OREMBCPIUBJXBI-CALDVZBHSA-N 0 0 566.079 6.076 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(C=Nc2cccc(Cl)c2Cl)c2ccccc21 ZINC000033355222 553933670 /nfs/dbraw/zinc/93/36/70/553933670.db2.gz XCIMKPQIABOVKQ-WUSSFVMVSA-N 0 0 568.416 6.855 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000097968595 553933768 /nfs/dbraw/zinc/93/37/68/553933768.db2.gz QVHKJYLRBXVCLE-YICFVICHSA-N 0 0 563.651 5.604 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1(C=Nc3cccc(Cl)c3Cl)c3ccccc3C2c2ccccc21 ZINC000033355218 553933779 /nfs/dbraw/zinc/93/37/79/553933779.db2.gz XCIMKPQIABOVKQ-RSWGBYAASA-N 0 0 568.416 6.855 50 30 KKEARN N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1 ZINC000097968757 553934305 /nfs/dbraw/zinc/93/43/05/553934305.db2.gz BYGWRZJDVCUUCC-BECGJLHTSA-N 0 0 526.832 5.650 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC[S@](=O)Cc1ccc(Cl)cc1 ZINC000033355413 553934736 /nfs/dbraw/zinc/93/47/36/553934736.db2.gz HQUHNCKXJYEHQD-UUWRZZSWSA-N 0 0 567.961 7.744 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)cc1)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000097968948 553935150 /nfs/dbraw/zinc/93/51/50/553935150.db2.gz BFHMQIBHHCYIIR-YIYCWRHBSA-N 0 0 558.446 6.257 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000097968936 553935182 /nfs/dbraw/zinc/93/51/82/553935182.db2.gz LLRIOIKHJAIFDL-KVOOEGMKSA-N 0 0 558.288 10.286 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097968991 553935524 /nfs/dbraw/zinc/93/55/24/553935524.db2.gz OLWCYUNKNJKCCZ-YTTGMZPUSA-N 0 0 584.713 6.267 50 30 KKEARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097969030 553935845 /nfs/dbraw/zinc/93/58/45/553935845.db2.gz ZPTZTYFKSONMCR-UHFFFAOYSA-N 0 0 601.182 7.250 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097969011 553935886 /nfs/dbraw/zinc/93/58/86/553935886.db2.gz PIQGRIXFJUYODH-YUYWZBKDSA-N 0 0 589.688 6.809 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969131 553936844 /nfs/dbraw/zinc/93/68/44/553936844.db2.gz NRPXHEPRIBZVTO-CRYYWNKWSA-N 0 0 556.640 6.200 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969179 553937401 /nfs/dbraw/zinc/93/74/01/553937401.db2.gz DZOSDCCNZQUXFW-QYBDOPJKSA-N 0 0 590.698 6.159 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000097969228 553938360 /nfs/dbraw/zinc/93/83/60/553938360.db2.gz RTMGKPFMHPKMNI-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969251 553938744 /nfs/dbraw/zinc/93/87/44/553938744.db2.gz MPICMOCLCBGXDP-XDBZFTIUSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 ZINC000097969548 553942255 /nfs/dbraw/zinc/94/22/55/553942255.db2.gz OQRAPYFQJBVQRM-SSEXGKCCSA-N 0 0 627.620 9.417 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969589 553942514 /nfs/dbraw/zinc/94/25/14/553942514.db2.gz XJYHAOMGDXJZLN-BGOLNKOXSA-N 0 0 612.748 7.453 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969608 553942897 /nfs/dbraw/zinc/94/28/97/553942897.db2.gz WWYFWOHMVRIIKD-KWMCUTETSA-N 0 0 568.651 6.366 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969624 553942913 /nfs/dbraw/zinc/94/29/13/553942913.db2.gz FWCXPYNGIJJICV-WRHNGFHOSA-N 0 0 604.725 6.728 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969604 553942930 /nfs/dbraw/zinc/94/29/30/553942930.db2.gz OBKNOLUIEOMLTL-PPHZAIPVSA-N 0 0 602.709 6.326 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)c(Br)c1 ZINC000033356698 553943567 /nfs/dbraw/zinc/94/35/67/553943567.db2.gz GUKCCISUQMQVAF-UHFFFAOYSA-N 0 0 591.348 8.785 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969745 553944234 /nfs/dbraw/zinc/94/42/34/553944234.db2.gz IMAQYRVABKJIHF-WWOZWPLTSA-N 0 0 609.103 7.635 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000097969763 553944697 /nfs/dbraw/zinc/94/46/97/553944697.db2.gz OAQPICBQFFJHNV-MHZLTWQESA-N 0 0 580.662 6.465 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969820 553945417 /nfs/dbraw/zinc/94/54/17/553945417.db2.gz CTEFDNGIPHSPPD-YRVHBCJASA-N 0 0 600.693 6.599 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)NO)cc2)cc1 ZINC000033357038 553946118 /nfs/dbraw/zinc/94/61/18/553946118.db2.gz LYRCCTKUDZASJJ-UHFFFAOYSA-N 0 0 531.472 5.257 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969884 553946377 /nfs/dbraw/zinc/94/63/77/553946377.db2.gz XUSYBQWYCABQCX-PKHCJMHPSA-N 0 0 628.747 7.235 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969887 553946516 /nfs/dbraw/zinc/94/65/16/553946516.db2.gz XUSYBQWYCABQCX-QJWGWKRISA-N 0 0 628.747 7.235 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969996 553948267 /nfs/dbraw/zinc/94/82/67/553948267.db2.gz ARUVKLHDGYVQME-KTBRYMIGSA-N 0 0 642.774 7.625 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970028 553948735 /nfs/dbraw/zinc/94/87/35/553948735.db2.gz UAALTTXIGXITPE-XMMPIXPASA-N 0 0 560.628 5.472 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970111 553949671 /nfs/dbraw/zinc/94/96/71/553949671.db2.gz RRQDENMUZHVNLS-QTYPKTMWSA-N 0 0 653.156 8.034 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970119 553950154 /nfs/dbraw/zinc/95/01/54/553950154.db2.gz WKGOUMMXCRKLTE-QWXGXRTQSA-N 0 0 588.638 5.437 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000033357741 553950641 /nfs/dbraw/zinc/95/06/41/553950641.db2.gz DLRHQWKURYRFLM-RQZFFVEVSA-N 0 0 577.052 6.505 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970206 553950798 /nfs/dbraw/zinc/95/07/98/553950798.db2.gz TZUOXWWBQWPETP-ULKXQASOSA-N 0 0 632.738 7.689 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970209 553950904 /nfs/dbraw/zinc/95/09/04/553950904.db2.gz TZUOXWWBQWPETP-NBLPZQPVSA-N 0 0 632.738 7.689 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970235 553951185 /nfs/dbraw/zinc/95/11/85/553951185.db2.gz DONRJXXMKFYYOL-JCOAXYOVSA-N 0 0 633.795 8.213 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097970401 553953814 /nfs/dbraw/zinc/95/38/14/553953814.db2.gz DFQRKEUPRRUXJU-KCEHZKJRSA-N 0 0 576.649 6.161 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000033358247 553953967 /nfs/dbraw/zinc/95/39/67/553953967.db2.gz JGKRXGLYGYOROR-SDZGCHGRSA-N 0 0 634.172 8.075 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970443 553954118 /nfs/dbraw/zinc/95/41/18/553954118.db2.gz XFGKQDFBUDFZNG-GDLZYMKVSA-N 0 0 558.631 5.455 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970444 553954126 /nfs/dbraw/zinc/95/41/26/553954126.db2.gz XFGKQDFBUDFZNG-LJAQVGFWSA-N 0 0 558.631 5.455 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970438 553954176 /nfs/dbraw/zinc/95/41/76/553954176.db2.gz GJLGCSMHCYNFFS-NDEPHWFRSA-N 0 0 586.666 6.428 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097970464 553954519 /nfs/dbraw/zinc/95/45/19/553954519.db2.gz BRPKTQXYDFBSKG-YKGWIAGDSA-N 0 0 573.690 5.843 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970480 553954611 /nfs/dbraw/zinc/95/46/11/553954611.db2.gz KCNAMNPYIMCHCP-MGBGTMOVSA-N 0 0 664.736 7.227 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033358345 553954816 /nfs/dbraw/zinc/95/48/16/553954816.db2.gz CLNFDIHQSOILRV-UCSRTCPSSA-N 0 0 566.035 5.406 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970513 553955121 /nfs/dbraw/zinc/95/51/21/553955121.db2.gz RRCHHMLAVJLNHH-JYRCXFKTSA-N 0 0 605.112 7.244 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970520 553955383 /nfs/dbraw/zinc/95/53/83/553955383.db2.gz ZOZJOXPVHOSPKB-WRONEBCDSA-N 0 0 622.699 6.480 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970554 553955862 /nfs/dbraw/zinc/95/58/62/553955862.db2.gz DUIUSWNCWUHUMV-OYLFLEFRSA-N 0 0 578.643 5.142 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970566 553956005 /nfs/dbraw/zinc/95/60/05/553956005.db2.gz FSZLIGBAXAQBIQ-ADXZGYQBSA-N 0 0 584.694 6.899 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970549 553956021 /nfs/dbraw/zinc/95/60/21/553956021.db2.gz MDRZDNAPJYGKIQ-GDLZYMKVSA-N 0 0 600.693 6.655 50 30 KKEARN COc1ccc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2c2cccc(O)c2)cc1OC ZINC000097970597 553956361 /nfs/dbraw/zinc/95/63/61/553956361.db2.gz QPUDXEDHDSMYPK-VYWACZOYSA-N 0 0 583.464 5.039 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970629 553956695 /nfs/dbraw/zinc/95/66/95/553956695.db2.gz DUOMMFJASQHQCP-ROTAYESASA-N 0 0 666.752 6.878 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970645 553957252 /nfs/dbraw/zinc/95/72/52/553957252.db2.gz NHIXYHRVZMFILZ-XBBWARJSSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CC[C@H](C)C2 ZINC000033358667 553957399 /nfs/dbraw/zinc/95/73/99/553957399.db2.gz RTTAXMQNFSRIGC-NSHDSACASA-N 0 0 526.474 6.295 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097970699 553957492 /nfs/dbraw/zinc/95/74/92/553957492.db2.gz WZKVPONGTKWLDM-KCWXNJEJSA-N 0 0 559.663 5.453 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970690 553957557 /nfs/dbraw/zinc/95/75/57/553957557.db2.gz YTBXSWFUEPUAKW-HKBQPEDESA-N 0 0 604.684 7.046 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097970944 553959544 /nfs/dbraw/zinc/95/95/44/553959544.db2.gz VBBYEDRFOMDYGO-JRPXNJEYSA-N 0 0 556.659 6.151 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970975 553959947 /nfs/dbraw/zinc/95/99/47/553959947.db2.gz NTSJVBIVAZSVGP-GTYOFVGBSA-N 0 0 592.733 5.134 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000033533916 553962106 /nfs/dbraw/zinc/96/21/06/553962106.db2.gz LKZWHYVWUPXKMU-NCELDCMTSA-N 0 0 503.693 6.886 50 30 KKEARN CCCCOc1c(Cl)cc(/C=C2\CC/C(=C/c3cc(Cl)c(OCCCC)c(OC)c3)C2=O)cc1OC ZINC000033623160 553964715 /nfs/dbraw/zinc/96/47/15/553964715.db2.gz PQPPIKGFODPRDE-VOKWCDJLSA-N 0 0 533.492 8.198 50 30 KKEARN CCCCCCCCCCCCOc1c(Br)c2nsnc2c(Br)c1OCCCCCCCCCCCC ZINC000097972197 553966384 /nfs/dbraw/zinc/96/63/84/553966384.db2.gz DVDXEQCMUYXONV-UHFFFAOYSA-N 0 0 662.617 11.816 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000033665445 553966999 /nfs/dbraw/zinc/96/69/99/553966999.db2.gz OUEGJFFVTUUXJJ-CRYDUDPSSA-N 0 0 505.426 8.058 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(C3=C(c4ccccc4)C(=O)C(c4ccccc4)=C3c3ccccc3)cc2)=C1c1ccccc1 ZINC000097976892 553973061 /nfs/dbraw/zinc/97/30/61/553973061.db2.gz CDSWVVKOGGSZOB-UHFFFAOYSA-N 0 0 690.842 11.896 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097977054 553973652 /nfs/dbraw/zinc/97/36/52/553973652.db2.gz DSYWHCLIYRWHTK-QGZVFWFLSA-N 0 0 578.775 6.531 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097977069 553974033 /nfs/dbraw/zinc/97/40/33/553974033.db2.gz MKTCAQVXNLSYSS-NRFANRHFSA-N 0 0 587.883 8.249 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097977066 553974047 /nfs/dbraw/zinc/97/40/47/553974047.db2.gz HOLRDMUGDOIBSU-QGZVFWFLSA-N 0 0 521.769 7.233 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097977057 553974085 /nfs/dbraw/zinc/97/40/85/553974085.db2.gz SDIGOCOORRIHRV-KRWDZBQOSA-N 0 0 578.775 6.531 50 30 KKEARN CCCOc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(OCCC)cc3OCCC)C2=O)c(OCCC)c1 ZINC000033881035 553975770 /nfs/dbraw/zinc/97/57/70/553975770.db2.gz MZMPLXAETOQSNA-SZNZDIFOSA-N 0 0 521.698 6.823 50 30 KKEARN Cc1ccsc1/C=C/C1=Cc2c(C#N)c(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CCCC3)sc2C(C)(C)C1 ZINC000097979074 553976045 /nfs/dbraw/zinc/97/60/45/553976045.db2.gz CNTTUOCYOHQYKI-OUKQBFOZSA-N 0 0 629.852 9.011 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c4ccc(C)cc4)sc3C(C)(C)C2)cc1 ZINC000097979068 553976153 /nfs/dbraw/zinc/97/61/53/553976153.db2.gz SOYIMFJCDBFJMH-CMDGGOBGSA-N 0 0 633.792 5.955 50 30 KKEARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCCC4)cc1Cl ZINC000097979336 553978432 /nfs/dbraw/zinc/97/84/32/553978432.db2.gz SCLIXPBWCVMLOM-UHFFFAOYSA-N 0 0 670.282 6.269 50 30 KKEARN CC(C)(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000097979839 553983051 /nfs/dbraw/zinc/98/30/51/553983051.db2.gz MJVNFYMOUQBQBP-HEHNFIMWSA-N 0 0 535.669 7.138 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2)cc1 ZINC000097981455 553994182 /nfs/dbraw/zinc/99/41/82/553994182.db2.gz UGOFOCXHUOAZLS-HMMYKYKNSA-N 0 0 559.647 7.291 50 30 KKEARN N#CC(CC(=O)N1CCCc2ccccc21)(CC(=O)N1CCCc2ccccc21)c1nc(-c2cc(F)ccc2F)cs1 ZINC000097982704 554005150 /nfs/dbraw/zinc/00/51/50/554005150.db2.gz PSFWQUHMAFDUCT-UHFFFAOYSA-N 0 0 582.676 6.589 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000097983027 554007167 /nfs/dbraw/zinc/00/71/67/554007167.db2.gz KJAYCBAZKCPEDL-MHZLTWQESA-N 0 0 593.149 9.664 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097983039 554007263 /nfs/dbraw/zinc/00/72/63/554007263.db2.gz XWAVRCMUTVDRCE-RUZDIDTESA-N 0 0 643.991 9.810 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097983060 554007452 /nfs/dbraw/zinc/00/74/52/554007452.db2.gz XDNBEBAJTIODRH-RUZDIDTESA-N 0 0 631.898 9.777 50 30 KKEARN O=C(O/C(=C(/C(=O)c1ccccc1)c1nc2ccccc2n1C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000097983148 554007681 /nfs/dbraw/zinc/00/76/81/554007681.db2.gz TTZFFQLXNVCTBW-FPODKLOTSA-N 0 0 548.598 7.333 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)C[C@H](C)CC(C)(C)C ZINC000034792567 554008092 /nfs/dbraw/zinc/00/80/92/554008092.db2.gz VOMWQQNBRCURKR-UGKGYDQZSA-N 0 0 501.071 5.921 50 30 KKEARN O=C(Nc1ccc(C(OS(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000097983594 554010298 /nfs/dbraw/zinc/01/02/98/554010298.db2.gz AGUQGAIZVIWLCU-UHFFFAOYSA-N 0 0 521.410 5.803 50 30 KKEARN CCCCCCCCCCCCCCCCCCSCCS(=O)(=O)OCCC(F)(F)C(F)F ZINC000097984513 554017149 /nfs/dbraw/zinc/01/71/49/554017149.db2.gz LCOYBHBXRYZFMB-UHFFFAOYSA-N 0 0 522.755 8.618 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097984675 554017857 /nfs/dbraw/zinc/01/78/57/554017857.db2.gz LUMZQKMTKWVZBM-PMERELPUSA-N 0 0 511.710 8.121 50 30 KKEARN CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC000097984870 554018744 /nfs/dbraw/zinc/01/87/44/554018744.db2.gz MYWHPRILKHMFCW-DEOSSOPVSA-N 0 0 543.627 6.952 50 30 KKEARN CCCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000097986428 554024057 /nfs/dbraw/zinc/02/40/57/554024057.db2.gz NBPFXJXOFAJHPM-UHFFFAOYSA-N 0 0 534.634 6.778 50 30 KKEARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 ZINC000097986934 554026437 /nfs/dbraw/zinc/02/64/37/554026437.db2.gz UICVZYSBVZJTQM-DHIUTWEWSA-N 0 0 528.055 5.183 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987830 554027519 /nfs/dbraw/zinc/02/75/19/554027519.db2.gz SLIULMJRTZDJGG-OAQYLSRUSA-N 0 0 520.408 5.854 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc([N+](=O)[O-])ccc1OC)C(Cl)(Cl)Cl ZINC000097994415 554031450 /nfs/dbraw/zinc/03/14/50/554031450.db2.gz KNFRJBBZJNUSKR-KRWDZBQOSA-N 0 0 513.875 5.453 50 30 KKEARN C#Cc1cccc(N2C(=O)c3ccc(OC(=O)c4ccc(OC(=O)c5ccc6c(c5)C(=O)N(c5cccc(C#C)c5)C6=O)cc4)cc3C2=O)c1 ZINC000097994393 554031493 /nfs/dbraw/zinc/03/14/93/554031493.db2.gz HBDFISCYMNKEDG-UHFFFAOYSA-N 0 0 656.606 5.689 50 30 KKEARN CCCCCCCCCCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OCCCCCCCCCC)cc3)C2)cc1 ZINC000097997812 554040478 /nfs/dbraw/zinc/04/04/78/554040478.db2.gz SXVDNBFXHFXGMH-CUYUCIGLSA-N 0 0 636.965 12.746 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000097997797 554040558 /nfs/dbraw/zinc/04/05/58/554040558.db2.gz XSNRTAXMKRJWPS-PGUFJCEWSA-N 0 0 606.892 8.615 50 30 biogenic KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1C ZINC000097999395 554042683 /nfs/dbraw/zinc/04/26/83/554042683.db2.gz YPNXJDGXQGSJFI-ONUIUJJFSA-N 0 0 596.510 5.854 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000035369301 554044974 /nfs/dbraw/zinc/04/49/74/554044974.db2.gz BCVPMQSGIUGYGQ-CBZDIVBHSA-N 0 0 513.391 5.508 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097999679 554044922 /nfs/dbraw/zinc/04/49/22/554044922.db2.gz DVPYTUVPAVZSKP-UHFFFAOYSA-N 0 0 638.543 8.377 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999755 554045657 /nfs/dbraw/zinc/04/56/57/554045657.db2.gz IPAUTQWAMCBSTQ-XJDVZLJJSA-N 0 0 665.230 9.273 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999769 554045937 /nfs/dbraw/zinc/04/59/37/554045937.db2.gz LGMMQDNXRHFURG-BMWXWXOGSA-N 0 0 663.258 10.107 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097999797 554045984 /nfs/dbraw/zinc/04/59/84/554045984.db2.gz RTCUDCAEILXUHW-IPKWWJLYSA-N 0 0 775.298 9.567 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999898 554046731 /nfs/dbraw/zinc/04/67/31/554046731.db2.gz NJWBJSXLEHEPKW-AYAMJOBCSA-N 0 0 655.622 9.528 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000098000105 554048411 /nfs/dbraw/zinc/04/84/11/554048411.db2.gz RYQGGUMQJQZXPO-SSEXGKCCSA-N 0 0 559.839 9.827 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098000194 554049296 /nfs/dbraw/zinc/04/92/96/554049296.db2.gz FTJCXRGRUGDRIP-QNLPTKCRSA-N 0 0 553.489 8.516 50 30 KKEARN O=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc(-c3ccc(NC(=O)C(F)(F)F)cc3)n2)cc1)C(F)(F)F ZINC000098000406 554050930 /nfs/dbraw/zinc/05/09/30/554050930.db2.gz WUDOXLOMODUING-UHFFFAOYSA-N 0 0 641.450 6.980 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3c4ccccc4ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1I ZINC000098001153 554051511 /nfs/dbraw/zinc/05/15/11/554051511.db2.gz KZKKXYXZEFTVLX-NLDZOOGBSA-N 0 0 577.425 6.729 50 30 KKEARN Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001255 554052223 /nfs/dbraw/zinc/05/22/23/554052223.db2.gz RJUNSIHIANWWSX-MRXNPFEDSA-N 0 0 538.313 6.221 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2C(F)(F)F)nsc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000098003605 554055427 /nfs/dbraw/zinc/05/54/27/554055427.db2.gz YAKJOUHQMIMCTD-UHFFFAOYSA-N 0 0 576.569 6.514 50 30 KKEARN O=C(NC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C(F)(F)F)c1 ZINC000098005119 554056929 /nfs/dbraw/zinc/05/69/29/554056929.db2.gz GSVVNHSLYDFJSG-UHFFFAOYSA-N 0 0 639.906 7.080 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000098005988 554060228 /nfs/dbraw/zinc/06/02/28/554060228.db2.gz QWVSQJOSUWKUMR-QGZVFWFLSA-N 0 0 578.974 7.954 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccccc1F ZINC000098006004 554060310 /nfs/dbraw/zinc/06/03/10/554060310.db2.gz NQZLTHAWSUQUPW-QGZVFWFLSA-N 0 0 528.074 6.787 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]1c1ccccc1)CCCC2 ZINC000098006101 554060447 /nfs/dbraw/zinc/06/04/47/554060447.db2.gz MWALTHAZAACJAP-DFHRPNOPSA-N 0 0 552.696 6.414 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]1c1ccccc1)CCCC2 ZINC000098006099 554060451 /nfs/dbraw/zinc/06/04/51/554060451.db2.gz MWALTHAZAACJAP-DWACAAAGSA-N 0 0 552.696 6.414 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000098006272 554060839 /nfs/dbraw/zinc/06/08/39/554060839.db2.gz BGWDTDOQWBZHDV-IBGZPJMESA-N 0 0 561.626 7.152 50 30 KKEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098006169 554060869 /nfs/dbraw/zinc/06/08/69/554060869.db2.gz NVBDZFAMFPVEMC-RUZDIDTESA-N 0 0 554.924 5.217 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(N(C)C)cc2)sc2c1CCCC2 ZINC000098006363 554061773 /nfs/dbraw/zinc/06/17/73/554061773.db2.gz AYRXMBMQVZJOJK-SANMLTNESA-N 0 0 561.748 6.112 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCN(c3ccc(F)cc3)CC1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000098007925 554064731 /nfs/dbraw/zinc/06/47/31/554064731.db2.gz REDLNMWYGSLDET-JGCGQSQUSA-N 0 0 607.557 7.098 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(CSc3nc4ccccc4s3)cs2)C2=C(CCCC2=O)N1 ZINC000098008000 554065334 /nfs/dbraw/zinc/06/53/34/554065334.db2.gz BXHMSVKANWRRMD-HHHXNRCGSA-N 0 0 543.739 7.257 50 30 KKEARN CC[C@@H](C)[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724725 554068112 /nfs/dbraw/zinc/06/81/12/554068112.db2.gz CJTZDWJDCJLPBF-ACJLOTCBSA-N 0 0 513.421 5.014 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1cccc(OC)c1 ZINC000098010729 554074002 /nfs/dbraw/zinc/07/40/02/554074002.db2.gz RAOYXIKAYBIAJE-UHFFFAOYSA-N 0 0 543.668 5.534 50 30 KKEARN CCOCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000035805187 554075344 /nfs/dbraw/zinc/07/53/44/554075344.db2.gz OXQUCOZQXVBDJY-UHFFFAOYSA-N 0 0 504.656 5.418 50 30 KKEARN Cc1cc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc(-c2cccc(F)c2)n1 ZINC000035890283 554089905 /nfs/dbraw/zinc/08/99/05/554089905.db2.gz VGZWLGFQEAVMPY-UHFFFAOYSA-N 0 0 512.429 5.591 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)n2Cc1cccc(F)c1 ZINC000035912912 554096830 /nfs/dbraw/zinc/09/68/30/554096830.db2.gz KZMMUPFAEKXKMW-UHFFFAOYSA-N 0 0 527.596 5.080 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000098017884 554110851 /nfs/dbraw/zinc/11/08/51/554110851.db2.gz JBEOBZNYRBYEOA-HHHXNRCGSA-N 0 0 500.655 6.096 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098017963 554111362 /nfs/dbraw/zinc/11/13/62/554111362.db2.gz RWAJVMLJHKXPAC-UHFFFAOYSA-N 0 0 538.488 6.217 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000035973750 554114580 /nfs/dbraw/zinc/11/45/80/554114580.db2.gz VWJNVABPOKXZTD-ROERJRBBSA-N 0 0 505.611 5.416 50 30 KKEARN CCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1 ZINC000098019838 554114666 /nfs/dbraw/zinc/11/46/66/554114666.db2.gz HZLXNTGZWLDYSH-UHFFFAOYSA-N 0 0 527.775 5.497 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000035982119 554118546 /nfs/dbraw/zinc/11/85/46/554118546.db2.gz LXMCPZUMZWAMTA-QKVJJFNUSA-N 0 0 521.657 6.969 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000098022998 554120007 /nfs/dbraw/zinc/12/00/07/554120007.db2.gz XGQRDKJFRFWZEJ-ICACTRECSA-N 0 0 553.489 8.516 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000098022999 554120019 /nfs/dbraw/zinc/12/00/19/554120019.db2.gz XGQRDKJFRFWZEJ-APYJYERMSA-N 0 0 553.489 8.516 50 30 KKEARN COc1ccccc1C[C@H]1CSC(=O)N1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000098023155 554120488 /nfs/dbraw/zinc/12/04/88/554120488.db2.gz GLDHGZAXAKUBIR-VIFPVBQESA-N 0 0 503.333 6.351 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000098042996 554123581 /nfs/dbraw/zinc/12/35/81/554123581.db2.gz HIZTWDODYDRREH-UHFFFAOYSA-N 0 0 568.541 7.944 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(NCCCC)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000098044789 554129792 /nfs/dbraw/zinc/12/97/92/554129792.db2.gz YVJOSUARFQAZQS-UHFFFAOYSA-N 0 0 586.776 9.496 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O ZINC000098045158 554130976 /nfs/dbraw/zinc/13/09/76/554130976.db2.gz DAHNGKXLYJMOSA-QVWWMRLHSA-N 0 0 613.695 5.688 50 30 KKEARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 ZINC000098045485 554131824 /nfs/dbraw/zinc/13/18/24/554131824.db2.gz VZNXALKIAYXEHD-HXUWFJFHSA-N 0 0 563.536 5.781 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000098045528 554132201 /nfs/dbraw/zinc/13/22/01/554132201.db2.gz YBNBMNSKFYNOGI-UGDMGKLASA-N 0 0 568.004 7.602 50 30 KKEARN CCCCCCCC[S@](=O)C[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000098045809 554134077 /nfs/dbraw/zinc/13/40/77/554134077.db2.gz IPOFRQTXMWTEPB-XKWLHOGNSA-N 0 0 506.737 6.849 50 30 KKEARN FC(F)Oc1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1 ZINC000098046097 554135844 /nfs/dbraw/zinc/13/58/44/554135844.db2.gz IHRXMLGQQABXIL-UHFFFAOYSA-N 0 0 643.346 9.192 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(C)c1 ZINC000098046318 554137631 /nfs/dbraw/zinc/13/76/31/554137631.db2.gz KIGKUSWLOOEBDR-UHFFFAOYSA-N 0 0 553.659 5.940 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000098046310 554137642 /nfs/dbraw/zinc/13/76/42/554137642.db2.gz OCGGVNCNZDYPDH-HSZRJFAPSA-N 0 0 532.618 5.593 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046312 554137669 /nfs/dbraw/zinc/13/76/69/554137669.db2.gz HREJFLJMBRGIMF-XMMPIXPASA-N 0 0 562.644 5.683 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046619 554141469 /nfs/dbraw/zinc/14/14/69/554141469.db2.gz ZVZHXENIRKZNOU-SANMLTNESA-N 0 0 542.613 5.948 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000098046649 554142047 /nfs/dbraw/zinc/14/20/47/554142047.db2.gz CSUKIOLLDSWEIZ-QHCPKHFHSA-N 0 0 530.602 5.829 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046671 554142300 /nfs/dbraw/zinc/14/23/00/554142300.db2.gz WWHPPZAFKIXGHO-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Oc4ccccc4)c3)cc2)c1 ZINC000098046700 554142781 /nfs/dbraw/zinc/14/27/81/554142781.db2.gz CIRUTOTVLDESLO-UMSFTDKQSA-N 0 0 582.656 7.540 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098046912 554145166 /nfs/dbraw/zinc/14/51/66/554145166.db2.gz ZICIIBVSNYSAKB-UHFFFAOYSA-N 0 0 585.648 7.280 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047040 554146034 /nfs/dbraw/zinc/14/60/34/554146034.db2.gz HRMRBOWVMKDRLR-WJOKGBTCSA-N 0 0 570.686 5.877 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000098047035 554146164 /nfs/dbraw/zinc/14/61/64/554146164.db2.gz VMBVRDBVTLOJPT-PMERELPUSA-N 0 0 556.659 5.487 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCCCCC)cc1 ZINC000098047062 554146302 /nfs/dbraw/zinc/14/63/02/554146302.db2.gz XGYOMZPFNCMEMR-UHFFFAOYSA-N 0 0 595.740 7.192 50 30 KKEARN CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000098047200 554147719 /nfs/dbraw/zinc/14/77/19/554147719.db2.gz ARVUQYGMWAEINP-UHFFFAOYSA-N 0 0 536.373 6.531 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047381 554150187 /nfs/dbraw/zinc/15/01/87/554150187.db2.gz GKSNXVRPTXSSGA-NDEPHWFRSA-N 0 0 613.805 8.090 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccccc1C ZINC000036049695 554156060 /nfs/dbraw/zinc/15/60/60/554156060.db2.gz JUSBVYRQOYDHAH-UHFFFAOYSA-N 0 0 502.977 5.907 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047841 554156645 /nfs/dbraw/zinc/15/66/45/554156645.db2.gz MWEMJARKKKZJGV-GDLZYMKVSA-N 0 0 623.775 8.512 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1F ZINC000036051472 554157132 /nfs/dbraw/zinc/15/71/32/554157132.db2.gz MKHOIEQZIUHZRC-UHFFFAOYSA-N 0 0 502.977 5.907 50 30 KKEARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000098047900 554157288 /nfs/dbraw/zinc/15/72/88/554157288.db2.gz PBGFIPITPWIJOS-QFIPXVFZSA-N 0 0 562.482 5.215 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048043 554158861 /nfs/dbraw/zinc/15/88/61/554158861.db2.gz OZNGOBIQYISKGV-XDBZFTIUSA-N 0 0 572.658 7.111 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048030 554158887 /nfs/dbraw/zinc/15/88/87/554158887.db2.gz ZOSBMVUQTYTLAQ-QUGAMOGWSA-N 0 0 539.613 5.532 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048038 554158898 /nfs/dbraw/zinc/15/88/98/554158898.db2.gz CJKLLEYDMYMOTL-LBEKAKSKSA-N 0 0 602.684 7.119 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccccc1C ZINC000036058172 554160194 /nfs/dbraw/zinc/16/01/94/554160194.db2.gz NKFJNAMJILMKQL-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048182 554160219 /nfs/dbraw/zinc/16/02/19/554160219.db2.gz WVSXOSJTLOYNNM-QUGAMOGWSA-N 0 0 563.676 5.776 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc(OC)ccc3OC)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050123 554172369 /nfs/dbraw/zinc/17/23/69/554172369.db2.gz CJFLVJJALKPNJH-MUUNZHRXSA-N 0 0 554.599 5.105 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050468 554174958 /nfs/dbraw/zinc/17/49/58/554174958.db2.gz IXEJZFPSIBKLLU-XVJPVSGASA-N 0 0 586.526 7.107 50 30 KKEARN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100004832 554177803 /nfs/dbraw/zinc/17/78/03/554177803.db2.gz QVBCQGVFKJHZAF-UHFFFAOYSA-N 0 0 516.179 6.306 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(OC)c1 ZINC000036116057 554180434 /nfs/dbraw/zinc/18/04/34/554180434.db2.gz LOKMKIBETAUIFJ-XMMPIXPASA-N 0 0 511.043 5.243 50 30 KKEARN Brc1ccc(/C=N/c2ccc3cc4ccc(/N=C/c5ccc(Br)cc5)cc4nc3c2)cc1 ZINC000100009054 554180567 /nfs/dbraw/zinc/18/05/67/554180567.db2.gz CHWFUULGYGDVPR-RVSCTIAXSA-N 0 0 543.262 8.414 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(F)c1 ZINC000036116381 554181531 /nfs/dbraw/zinc/18/15/31/554181531.db2.gz BMPNFSDYTMFEFA-DEOSSOPVSA-N 0 0 513.034 5.682 50 30 KKEARN CCCN(C[C@H]1CO1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100024345 554183085 /nfs/dbraw/zinc/18/30/85/554183085.db2.gz HEAWIZXIWLKJKG-LURJTMIESA-N 0 0 597.287 5.394 50 30 KKEARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000100029107 554184165 /nfs/dbraw/zinc/18/41/65/554184165.db2.gz RNSDLMVJKYSMLI-ZGXFXUQVSA-N 0 0 567.558 5.424 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(OC)cc1 ZINC000036117114 554184257 /nfs/dbraw/zinc/18/42/57/554184257.db2.gz AVBWJXNROSYTEY-MHZLTWQESA-N 0 0 518.679 5.713 50 30 KKEARN O=C(/C=C/C(=O)Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1 ZINC000100030024 554184596 /nfs/dbraw/zinc/18/45/96/554184596.db2.gz PHBVZLHLTRJYAC-XMIGHNPSSA-N 0 0 543.406 7.562 50 30 KKEARN Cc1cccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5cccc(C)c5C)cc4)c([N+](=O)[O-])c3)cc2)c1C ZINC000100032963 554187088 /nfs/dbraw/zinc/18/70/88/554187088.db2.gz PZUWZWXMFGFYCU-YGLZRDFESA-N 0 0 625.681 8.768 50 30 KKEARN C=Cc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100033183 554187398 /nfs/dbraw/zinc/18/73/98/554187398.db2.gz DBTAMHSPOTZDDY-UHFFFAOYSA-N 0 0 522.198 7.796 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(/C=N/Cc4cccc5ccccc54)c4ccccc4C3c3ccccc32)cc1 ZINC000100039300 554191962 /nfs/dbraw/zinc/19/19/62/554191962.db2.gz GCZGRNHNZZPSJD-VALPWCMGSA-N 0 0 562.669 7.060 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5cccc(I)c5)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000100042391 554192644 /nfs/dbraw/zinc/19/26/44/554192644.db2.gz MDCWXWHOOZYLBK-RWPZCVJISA-N 0 0 606.332 7.459 50 30 KKEARN O=c1[nH]c2ccc(/N=C\c3cc(I)cc(I)c3OCc3ccccc3)cc2[nH]1 ZINC000100060057 554197915 /nfs/dbraw/zinc/19/79/15/554197915.db2.gz FUHIKRUWUTXLBW-MYKKPKGFSA-N 0 0 595.178 5.395 50 30 KKEARN N#CC1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100064301 554199481 /nfs/dbraw/zinc/19/94/81/554199481.db2.gz PKRFHEJESMAXTQ-PIGLOVQCSA-N 0 0 572.577 6.195 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100073218 554202886 /nfs/dbraw/zinc/20/28/86/554202886.db2.gz PHPWAQPZOOYSQS-PZGXJGMVSA-N 0 0 566.912 7.794 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100077169 554204784 /nfs/dbraw/zinc/20/47/84/554204784.db2.gz IAYZBLMTKCUMHZ-JRPXNJEYSA-N 0 0 620.927 6.979 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 ZINC000100078666 554205537 /nfs/dbraw/zinc/20/55/37/554205537.db2.gz VKNHJAFJDMYOCB-LQNQUEJISA-N 0 0 519.464 7.330 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCc3ccc(OC)cc3)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100081674 554207088 /nfs/dbraw/zinc/20/70/88/554207088.db2.gz LQWIVPLNKZUPEO-NDEPHWFRSA-N 0 0 580.150 7.150 50 30 KKEARN CN=C(Nc1ccc(Cl)c(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000100084114 554208175 /nfs/dbraw/zinc/20/81/75/554208175.db2.gz IECQBKJOQHKDIF-HNNXBMFYSA-N 0 0 510.752 5.938 50 30 KKEARN CC(C)Oc1c(I)cc(I)cc1/C=C1/Sc2ccccc2C1=O ZINC000100087734 554209705 /nfs/dbraw/zinc/20/97/05/554209705.db2.gz JOJSKJYYGVYTDF-LZYBPNLTSA-N 0 0 548.183 6.013 50 30 KKEARN O=C1C[C@H](SC(=NCc2ccc3c(c2)OCO3)Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100089786 554210318 /nfs/dbraw/zinc/21/03/18/554210318.db2.gz UNTRSTVZRRHBNF-QFIPXVFZSA-N 0 0 611.520 6.175 50 30 KKEARN CCN=C(Nc1ccc(I)cc1)S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000100092342 554212713 /nfs/dbraw/zinc/21/27/13/554212713.db2.gz WPFSXMZNRBBXEA-MRXNPFEDSA-N 0 0 579.794 5.312 50 30 KKEARN C=CCOC[C@H](O)CN(Cc1ccco1)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000036303423 554213421 /nfs/dbraw/zinc/21/34/21/554213421.db2.gz FVZVICCKVSOIQU-XMMPIXPASA-N 0 0 505.590 5.525 50 30 KKEARN C=CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306064 554215328 /nfs/dbraw/zinc/21/53/28/554215328.db2.gz PJLRHLCQBRVUSY-QHCPKHFHSA-N 0 0 503.599 5.047 50 30 KKEARN C=CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305394 554215532 /nfs/dbraw/zinc/21/55/32/554215532.db2.gz FIAMYXMUFKDXCL-HSZRJFAPSA-N 0 0 503.599 5.047 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100103403 554220128 /nfs/dbraw/zinc/22/01/28/554220128.db2.gz PKAZIMLJGRYIMW-FEERPNRMSA-N 0 0 628.575 9.193 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000100109941 554221095 /nfs/dbraw/zinc/22/10/95/554221095.db2.gz FWIODRQTOLXIMU-WJGOIJTOSA-N 0 0 568.717 8.396 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Br ZINC000100111125 554221792 /nfs/dbraw/zinc/22/17/92/554221792.db2.gz JXQSMEDTOMBSFI-WOJGMQOQSA-N 0 0 522.262 6.285 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OCC)c(OCC)c3)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000100111746 554221809 /nfs/dbraw/zinc/22/18/09/554221809.db2.gz DELICRFPZVPZAR-IOWWMNHBSA-N 0 0 579.694 6.225 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1OCC ZINC000100111752 554221823 /nfs/dbraw/zinc/22/18/23/554221823.db2.gz DYTOONCHFLLMGN-IOWWMNHBSA-N 0 0 579.694 5.512 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1OCC ZINC000100112542 554222162 /nfs/dbraw/zinc/22/21/62/554222162.db2.gz LPOLJNVSFFEFFO-WJEDRFGESA-N 0 0 563.695 5.546 50 30 KKEARN CCCCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCCCC)cc3)cc2)cc1 ZINC000100117373 554223761 /nfs/dbraw/zinc/22/37/61/554223761.db2.gz FSYMJESEMBZVIC-JEVCVBCSSA-N 0 0 512.738 9.886 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2cc(Cl)c([O-])c(Cl)c2)S1 ZINC000100116875 554223774 /nfs/dbraw/zinc/22/37/74/554223774.db2.gz GXNQBBWWTXFOFP-GOTZKRROSA-N 0 0 614.885 7.070 50 30 KKEARN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Oc2ccccc2)cc1 ZINC000100117599 554224101 /nfs/dbraw/zinc/22/41/01/554224101.db2.gz OCQZLSNNCZTIIB-FHTGZHJISA-N 0 0 507.033 8.088 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1CNC=C1C(=O)CC(c2ccc(F)cc2)CC1=O ZINC000100138954 554227247 /nfs/dbraw/zinc/22/72/47/554227247.db2.gz QMPJPXZFEKBLKM-MQBBKVSDSA-N 0 0 566.460 6.453 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142336 554228200 /nfs/dbraw/zinc/22/82/00/554228200.db2.gz CNFARUUEYVRVET-QNRSTHINSA-N 0 0 594.089 5.854 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142353 554228516 /nfs/dbraw/zinc/22/85/16/554228516.db2.gz GVRXIVOXIDOSLN-XMWFGAJLSA-N 0 0 535.597 5.172 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(C(=O)OCC)cc3)S2)cc1 ZINC000100142431 554228584 /nfs/dbraw/zinc/22/85/84/554228584.db2.gz XMXXTDIHNVREEV-PYMNRZMWSA-N 0 0 559.688 5.855 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2)cc1 ZINC000100142418 554228618 /nfs/dbraw/zinc/22/86/18/554228618.db2.gz VWZSNHZLXLKXMM-WNFIAYLZSA-N 0 0 531.634 5.075 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100151892 554231818 /nfs/dbraw/zinc/23/18/18/554231818.db2.gz JJFWISUYQXZGBM-DMTNHVFBSA-N 0 0 605.613 5.628 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000100157972 554233151 /nfs/dbraw/zinc/23/31/51/554233151.db2.gz SIRRCHJVJOBQIB-VYCLJVNGSA-N 0 0 572.608 5.492 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100160353 554234618 /nfs/dbraw/zinc/23/46/18/554234618.db2.gz HCBCYLJNWCSAPY-SKBVVQJISA-N 0 0 591.035 5.235 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000100160679 554234649 /nfs/dbraw/zinc/23/46/49/554234649.db2.gz FDHFILKXBRXYCI-FQLPYIGMSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100171887 554238513 /nfs/dbraw/zinc/23/85/13/554238513.db2.gz IYTLBCKHWHYGJS-RIEVBORMSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172244 554238800 /nfs/dbraw/zinc/23/88/00/554238800.db2.gz FXKPTJJSKILMRH-FGCOXFRFSA-N 0 0 611.642 5.689 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172236 554238810 /nfs/dbraw/zinc/23/88/10/554238810.db2.gz ICEAWUPVSUAFDB-DCEDVJGZSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1 ZINC000100172982 554239334 /nfs/dbraw/zinc/23/93/34/554239334.db2.gz SFLNEOCAIDEMIH-BTZRARBUSA-N 0 0 592.117 5.632 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000100193129 554245470 /nfs/dbraw/zinc/24/54/70/554245470.db2.gz SZXADCDVIKNAQT-QRVIBDJDSA-N 0 0 604.897 7.041 50 30 KKEARN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2-c2ccccc2)cc1 ZINC000100195871 554246192 /nfs/dbraw/zinc/24/61/92/554246192.db2.gz YFTLBHJSRPYISE-DZTJYMNTSA-N 0 0 595.724 10.020 50 30 KKEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C(=O)N2C)cc1 ZINC000100212569 554249603 /nfs/dbraw/zinc/24/96/03/554249603.db2.gz SCWGBEDHFUFABB-SXROATFKSA-N 0 0 533.444 5.657 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2Cc2ccccc2)cc1 ZINC000100214302 554249622 /nfs/dbraw/zinc/24/96/22/554249622.db2.gz TVDVWMLBFCOIAA-UCSRTCPSSA-N 0 0 536.053 5.986 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1ccccc1F ZINC000100215209 554249812 /nfs/dbraw/zinc/24/98/12/554249812.db2.gz SKHCMRLACLVYGA-XMMPIXPASA-N 0 0 534.381 5.909 50 30 KKEARN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Br)c1OCc1ccccc1 ZINC000100215778 554250023 /nfs/dbraw/zinc/25/00/23/554250023.db2.gz PGDYFEWJRFZBDO-VWLOTQADSA-N 0 0 560.444 6.168 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000100215741 554250147 /nfs/dbraw/zinc/25/01/47/554250147.db2.gz RRBPUXWILZIVRA-XMMPIXPASA-N 0 0 546.963 5.577 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000100215834 554250321 /nfs/dbraw/zinc/25/03/21/554250321.db2.gz FSXYXDOOQPWGQB-XMMPIXPASA-N 0 0 536.411 6.322 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100216880 554250729 /nfs/dbraw/zinc/25/07/29/554250729.db2.gz SFHLLDCWQNDGRU-RNMHXKJMSA-N 0 0 556.471 6.331 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)cc1 ZINC000100217238 554250854 /nfs/dbraw/zinc/25/08/54/554250854.db2.gz AAFBCHKRPLFLHQ-SKCJHTIKSA-N 0 0 561.660 5.084 50 30 KKEARN COc1ccc(CCNC(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000037600408 554253295 /nfs/dbraw/zinc/25/32/95/554253295.db2.gz CENWIULYTOATDG-UHFFFAOYSA-N 0 0 503.602 5.315 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(C)cc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037602702 554254378 /nfs/dbraw/zinc/25/43/78/554254378.db2.gz UZXLFUAHXZIJBA-NDEPHWFRSA-N 0 0 503.668 5.467 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000100229099 554254658 /nfs/dbraw/zinc/25/46/58/554254658.db2.gz PJNQYFSIJXBTFC-MYKKPKGFSA-N 0 0 569.864 6.798 50 30 KKEARN CC(NCc1ccco1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000100230022 554255595 /nfs/dbraw/zinc/25/55/95/554255595.db2.gz FHCCWNSHFNIHKC-XVIDZLOXSA-N 0 0 525.449 5.789 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C\c3cc(OCC)c(OC)cc3Br)C2=O)c(Br)cc1OC ZINC000100230041 554255607 /nfs/dbraw/zinc/25/56/07/554255607.db2.gz FNUJYQFQZWNYQG-OTYYAQKOSA-N 0 0 580.313 7.246 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000037604551 554255842 /nfs/dbraw/zinc/25/58/42/554255842.db2.gz LXGBVZSPKNDGIM-SANMLTNESA-N 0 0 517.582 5.158 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)n1 ZINC000037604552 554255929 /nfs/dbraw/zinc/25/59/29/554255929.db2.gz LXGBVZSPKNDGIM-AREMUKBSSA-N 0 0 517.582 5.158 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C/c3cc(Cl)c(OC(C)=O)c(OCC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000100230642 554256345 /nfs/dbraw/zinc/25/63/45/554256345.db2.gz YABNCXKMLZUVIP-NGHQTVFFSA-N 0 0 547.431 6.861 50 30 KKEARN N#Cc1c2c(sc1N1c3nc(N)c(C#N)c(N)c3[C@@H](c3cccc(Br)c3)C3=C1CCCC3=O)CCCC2 ZINC000100247481 554261393 /nfs/dbraw/zinc/26/13/93/554261393.db2.gz VQOVTCOHXVBZQL-QFIPXVFZSA-N 0 0 571.504 5.983 50 30 KKEARN N#Cc1c(N)nc2c(c1N)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2c1cccc2ccccc21 ZINC000100249050 554261996 /nfs/dbraw/zinc/26/19/96/554261996.db2.gz KJSADDJCTTZRPW-DEOSSOPVSA-N 0 0 536.433 6.324 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100262079 554265737 /nfs/dbraw/zinc/26/57/37/554265737.db2.gz YUSDMQXBFOCPEL-UZBQJPDOSA-N 0 0 510.752 6.256 50 30 KKEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000038145473 554267335 /nfs/dbraw/zinc/26/73/35/554267335.db2.gz HSFIJDNIFROEOJ-UHFFFAOYSA-N 0 0 533.053 6.058 50 30 aggregator KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3cccc(C)c3)c(OC)c2)SC1=S ZINC000100268682 554268160 /nfs/dbraw/zinc/26/81/60/554268160.db2.gz ZTSSZRXWKWRZPJ-ZHZULCJRSA-N 0 0 567.470 5.453 50 30 KKEARN COc1ccc(/N=C2\S/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100276094 554272826 /nfs/dbraw/zinc/27/28/26/554272826.db2.gz NEDRTAXNMORUQN-XYUAZUIMSA-N 0 0 543.645 6.049 50 30 KKEARN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000038154832 554273694 /nfs/dbraw/zinc/27/36/94/554273694.db2.gz NMEVDPSAPOYOAI-POTDNYQPSA-N 0 0 543.406 5.371 50 30 KKEARN COc1ccc(Cl)cc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)o1 ZINC000038534800 554274902 /nfs/dbraw/zinc/27/49/02/554274902.db2.gz WWZDVADAFOSDQI-XFRWXITDSA-N 0 0 508.961 5.835 50 30 KKEARN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S/C1=N/c1ccc(Br)cc1 ZINC000100289409 554282332 /nfs/dbraw/zinc/28/23/32/554282332.db2.gz CMHOAWPOSSWDKR-IIZUOHISSA-N 0 0 502.437 6.686 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000100307205 554295442 /nfs/dbraw/zinc/29/54/42/554295442.db2.gz DWIMSEOKPUTBLP-ZADHBOBCSA-N 0 0 592.039 6.579 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308166 554296651 /nfs/dbraw/zinc/29/66/51/554296651.db2.gz CTCRLQVPWNMDAB-BWUCGBNQSA-N 0 0 525.577 5.185 50 30 KKEARN N#Cc1ccccc1COc1c(Br)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1Br ZINC000100308657 554297560 /nfs/dbraw/zinc/29/75/60/554297560.db2.gz JBDFPVBGXUOKLW-UVHMKAGCSA-N 0 0 569.282 6.092 50 30 KKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccc(Cl)cc3C=C[C@H]21 ZINC000043710801 554298600 /nfs/dbraw/zinc/29/86/00/554298600.db2.gz FTHLFQTXYHAVLJ-IECOIOCNSA-N 0 0 500.067 6.588 50 30 KKEARN c1ccc(N=NC(N=Nc2ccccc2)c2cccc(C(N=Nc3ccccc3)N=Nc3ccccc3)c2)cc1 ZINC000043761161 554299540 /nfs/dbraw/zinc/29/95/40/554299540.db2.gz SBJNXBSEHDRNQQ-RHPNXWPTSA-N 0 0 522.616 8.802 50 30 KKEARN CCOC(=O)[C@H](S)Cc1ccc(OC[C@@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1 ZINC000044126507 554301315 /nfs/dbraw/zinc/30/13/15/554301315.db2.gz QZUSUWOXZPFSTN-AKGWNBJDSA-N 0 0 534.718 6.758 50 30 KKEARN CN1C(=O)/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000100316452 554303015 /nfs/dbraw/zinc/30/30/15/554303015.db2.gz MTTCIQBLIPEICC-XKKKLVHJSA-N 0 0 553.644 5.668 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)nc3c2CCCC3)cc1 ZINC000049208438 554323155 /nfs/dbraw/zinc/32/31/55/554323155.db2.gz NETIGYCGFMQNOY-UHFFFAOYSA-N 0 0 500.649 5.660 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Br ZINC000049710829 554324686 /nfs/dbraw/zinc/32/46/86/554324686.db2.gz FVULOFQWRPTTGM-QYBDOPJKSA-N 0 0 540.454 5.781 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000049711240 554324692 /nfs/dbraw/zinc/32/46/92/554324692.db2.gz OAHXGKFFZFLLDP-ZCTHSVRISA-N 0 0 562.590 6.301 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4Cl)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000049771675 554325957 /nfs/dbraw/zinc/32/59/57/554325957.db2.gz HIDBFCAYHFMHLE-ZWVRTZEQSA-N 0 0 579.115 8.991 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4Cl)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000049771677 554325970 /nfs/dbraw/zinc/32/59/70/554325970.db2.gz HIDBFCAYHFMHLE-PBUKZNKTSA-N 0 0 579.115 8.991 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918058 554327103 /nfs/dbraw/zinc/32/71/03/554327103.db2.gz SXKFJWGUZMQKMG-UKJJDJLKSA-N 0 0 546.598 6.827 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918092 554327304 /nfs/dbraw/zinc/32/73/04/554327304.db2.gz GGQPJZBVFPWEKT-UBOZLPQGSA-N 0 0 558.634 6.696 50 30 KKEARN O=C1/C(=C/c2cc3c(cc2Br)OCO3)CCC/C1=C/c1cc2c(cc1Br)OCO2 ZINC000053226108 554329905 /nfs/dbraw/zinc/32/99/05/554329905.db2.gz POGAFYIJYPXIIH-JBWWEBJPSA-N 0 0 520.173 5.889 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348103 554330494 /nfs/dbraw/zinc/33/04/94/554330494.db2.gz GTNDANGEFSUDDC-NFMXCSJRSA-N 0 0 533.650 5.224 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Br)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348096 554330516 /nfs/dbraw/zinc/33/05/16/554330516.db2.gz YZHICOOXGKWGCD-PGWWVJEZSA-N 0 0 598.519 5.678 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348156 554330523 /nfs/dbraw/zinc/33/05/23/554330523.db2.gz HMYJTKHPJVYVMR-PGWWVJEZSA-N 0 0 554.068 5.569 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291975 554332074 /nfs/dbraw/zinc/33/20/74/554332074.db2.gz UVMHLDQBIWAHMV-JOCHJYFZSA-N 0 0 535.419 6.159 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053292125 554332283 /nfs/dbraw/zinc/33/22/83/554332283.db2.gz OXBUWBPABFFGEW-DNOBIOAJSA-N 0 0 540.641 6.500 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000053305751 554332852 /nfs/dbraw/zinc/33/28/52/554332852.db2.gz NQUMKFQXNOAHLY-RUZDIDTESA-N 0 0 535.438 6.110 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306224 554333509 /nfs/dbraw/zinc/33/35/09/554333509.db2.gz VALIIMDUQMYYMM-JOCHJYFZSA-N 0 0 535.419 6.159 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053306464 554333862 /nfs/dbraw/zinc/33/38/62/554333862.db2.gz YZVUUAFCXMKXRH-CLYVBNDRSA-N 0 0 538.669 7.009 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000053307083 554334762 /nfs/dbraw/zinc/33/47/62/554334762.db2.gz VASYFMKXSVVOTM-VWLOTQADSA-N 0 0 544.629 6.112 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000053307338 554335185 /nfs/dbraw/zinc/33/51/85/554335185.db2.gz FUXUOMPBEXGQLS-MUUNZHRXSA-N 0 0 559.449 7.054 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000053319148 554336345 /nfs/dbraw/zinc/33/63/45/554336345.db2.gz DFQQALJUILUIJC-CBZJRKILSA-N 0 0 556.640 6.200 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000053319198 554336686 /nfs/dbraw/zinc/33/66/86/554336686.db2.gz TZVUNXAVIKZLQW-HHHXNRCGSA-N 0 0 540.641 6.591 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000053319223 554336880 /nfs/dbraw/zinc/33/68/80/554336880.db2.gz INGBGSOGFVBBQV-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000053319338 554337225 /nfs/dbraw/zinc/33/72/25/554337225.db2.gz AZKWSNWUUQBNSW-QFIPXVFZSA-N 0 0 527.802 5.675 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319410 554337897 /nfs/dbraw/zinc/33/78/97/554337897.db2.gz ZHHAGKOIHDLONR-SANMLTNESA-N 0 0 542.613 5.948 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000053319422 554337914 /nfs/dbraw/zinc/33/79/14/554337914.db2.gz DBQVRZKNEFHGQQ-INJOXJOKSA-N 0 0 540.679 7.951 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332225 554338976 /nfs/dbraw/zinc/33/89/76/554338976.db2.gz IZEABDIZIXOKJN-SANMLTNESA-N 0 0 540.597 5.724 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000053336066 554341468 /nfs/dbraw/zinc/34/14/68/554341468.db2.gz HINZALNEPYMKJS-DXPJPUQTSA-N 0 0 542.613 5.810 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000053337449 554342042 /nfs/dbraw/zinc/34/20/42/554342042.db2.gz FTADURQGAGNWSA-XZJHWRHTSA-N 0 0 570.733 8.747 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053338530 554342688 /nfs/dbraw/zinc/34/26/88/554342688.db2.gz SZADKFGJAVWAFH-HHHXNRCGSA-N 0 0 570.667 6.547 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338907 554343016 /nfs/dbraw/zinc/34/30/16/554343016.db2.gz VKWFMAPDLQTJQC-RUZDIDTESA-N 0 0 556.596 5.254 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340542 554344178 /nfs/dbraw/zinc/34/41/78/554344178.db2.gz YXXQEELBBXLYDF-XMMPIXPASA-N 0 0 565.047 6.375 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354216 554344664 /nfs/dbraw/zinc/34/46/64/554344664.db2.gz SIVPSNBVMLSVPP-JOCHJYFZSA-N 0 0 551.418 5.859 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000053358635 554344951 /nfs/dbraw/zinc/34/49/51/554344951.db2.gz DKERBHNWQHEKHH-QNLPTKCRSA-N 0 0 536.672 7.081 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053359672 554345271 /nfs/dbraw/zinc/34/52/71/554345271.db2.gz IXRIDFAUGCRCBX-QCBOHVIISA-N 0 0 551.086 8.297 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000053359624 554345274 /nfs/dbraw/zinc/34/52/74/554345274.db2.gz GWPFXAHYCDZPRO-UGDMGKLASA-N 0 0 539.462 8.208 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)c(Cl)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000053359655 554345336 /nfs/dbraw/zinc/34/53/36/554345336.db2.gz UMUDVBGORMEWBM-UDNBHOFDSA-N 0 0 547.526 8.783 50 30 KKEARN O=C(Oc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1 ZINC000053359664 554345325 /nfs/dbraw/zinc/34/53/25/554345325.db2.gz ZTNFRNGDLBOXOS-JOCIVYRRSA-N 0 0 590.679 8.120 50 30 KKEARN O=C(Oc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1 ZINC000053359661 554345350 /nfs/dbraw/zinc/34/53/50/554345350.db2.gz ZTNFRNGDLBOXOS-SDZGCHGRSA-N 0 0 590.679 8.120 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053359674 554345358 /nfs/dbraw/zinc/34/53/58/554345358.db2.gz IXRIDFAUGCRCBX-XDCSYDRFSA-N 0 0 551.086 8.297 50 30 KKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c(OC)c1OC ZINC000053360235 554345435 /nfs/dbraw/zinc/34/54/35/554345435.db2.gz XUMPEUGFOXKETR-UULLZXFKSA-N 0 0 546.620 5.718 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000053360249 554345449 /nfs/dbraw/zinc/34/54/49/554345449.db2.gz XMAQMILMHKFXBF-HMILPKGGSA-N 0 0 533.466 7.144 50 30 KKEARN O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)CCC/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000100403059 554372816 /nfs/dbraw/zinc/37/28/16/554372816.db2.gz YFMURRAGSQRZGK-RYOQUFEFSA-N 0 0 544.261 10.040 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000100414402 554378644 /nfs/dbraw/zinc/37/86/44/554378644.db2.gz RUSPVENDJMIUQV-XTEPFMGCSA-N 0 0 525.626 5.805 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000100455092 554396138 /nfs/dbraw/zinc/39/61/38/554396138.db2.gz UHBBBRZFILMEHY-AZWSXNEJSA-N 0 0 525.317 5.613 50 30 KKEARN O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1)c1ccc(Cl)cc1Cl ZINC000100457254 554396655 /nfs/dbraw/zinc/39/66/55/554396655.db2.gz PWOYCSQUNHNDHR-VWJSQJICSA-N 0 0 588.716 8.709 50 30 KKEARN S=c1nc(-c2cccs2)n(Cc2ccccc2)c(=S)n1/C(=N/Cc1ccccc1)c1cccs1 ZINC000100469686 554398696 /nfs/dbraw/zinc/39/86/96/554398696.db2.gz UIOIKWJIDIBOMA-SLEBQGDGSA-N 0 0 516.742 7.477 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000059503795 554400192 /nfs/dbraw/zinc/40/01/92/554400192.db2.gz OYILOKYLBWOEPN-PZGXJGMVSA-N 0 0 545.605 6.772 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100483526 554402086 /nfs/dbraw/zinc/40/20/86/554402086.db2.gz LMIUIOAJBZFGOF-INIZCTEOSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100483523 554402091 /nfs/dbraw/zinc/40/20/91/554402091.db2.gz LMIUIOAJBZFGOF-MRXNPFEDSA-N 0 0 507.742 6.843 50 30 KKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000059521999 554403284 /nfs/dbraw/zinc/40/32/84/554403284.db2.gz PEPVYOANVFIWIG-HFJFZZAHSA-N 0 0 541.551 5.903 50 30 KKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000059521993 554403302 /nfs/dbraw/zinc/40/33/02/554403302.db2.gz PEPVYOANVFIWIG-HFBYFEGMSA-N 0 0 541.551 5.903 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100499127 554405217 /nfs/dbraw/zinc/40/52/17/554405217.db2.gz NIYPZPQGNBLPAD-MRXNPFEDSA-N 0 0 542.187 7.496 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(Br)o2)c1)c1ccccc1 ZINC000059524137 554405327 /nfs/dbraw/zinc/40/53/27/554405327.db2.gz VQODMIUHGZZSAT-GGAORHGYSA-N 0 0 613.512 5.913 50 30 KKEARN Cc1ccc(/C(=N\Cc2ccccc2)n2c(=S)nc(-c3ccc(C)cc3)n(Cc3ccccc3)c2=S)cc1 ZINC000100500945 554405788 /nfs/dbraw/zinc/40/57/88/554405788.db2.gz PDYXKUJZDKQLGI-XPXRSFDGSA-N 0 0 532.738 7.971 50 30 KKEARN CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000100502193 554405997 /nfs/dbraw/zinc/40/59/97/554405997.db2.gz STHUIPBLMXDGCD-KBKYJPHKSA-N 0 0 506.183 7.419 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3c[nH]nc3-c3ccccc3)nc(N3CCOCC3)n2)cc1Cl ZINC000100520305 554409243 /nfs/dbraw/zinc/40/92/43/554409243.db2.gz IDDOWSMSMUWIRG-MUXKCCDJSA-N 0 0 568.867 5.012 50 30 KKEARN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000059603126 554409380 /nfs/dbraw/zinc/40/93/80/554409380.db2.gz AYGDEJIICPGZED-RUZDIDTESA-N 0 0 587.577 5.339 50 30 KKEARN C=CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000059603125 554409408 /nfs/dbraw/zinc/40/94/08/554409408.db2.gz AYGDEJIICPGZED-VWLOTQADSA-N 0 0 587.577 5.339 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000059603567 554409875 /nfs/dbraw/zinc/40/98/75/554409875.db2.gz KDJHFHBLSBOUEP-AREMUKBSSA-N 0 0 531.948 5.494 50 30 KKEARN Cc1ccc(COc2c(Br)cc(/C=C3\Sc4ccccc4C3=O)cc2Br)cc1 ZINC000100526658 554410117 /nfs/dbraw/zinc/41/01/17/554410117.db2.gz XQDCGZJSCMBVSV-MTJSOVHGSA-N 0 0 516.254 7.429 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000059603580 554410220 /nfs/dbraw/zinc/41/02/20/554410220.db2.gz ZXGLJVVOZYJQSK-JCOAXYOVSA-N 0 0 568.626 5.441 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000059611971 554412185 /nfs/dbraw/zinc/41/21/85/554412185.db2.gz NYSXYIOWPYKUCL-UHFFFAOYSA-N 0 0 539.967 5.057 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000059612363 554412348 /nfs/dbraw/zinc/41/23/48/554412348.db2.gz XRDCRRGFDHIFOG-DEOSSOPVSA-N 0 0 570.115 5.541 50 30 KKEARN Cc1cc(I)cc(/C=N/c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1O ZINC000100540351 554412764 /nfs/dbraw/zinc/41/27/64/554412764.db2.gz PIHDIYBTFTWFTD-OPEKNORGSA-N 0 0 525.173 6.615 50 30 KKEARN COc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)cc2OC)cc1 ZINC000059616693 554412973 /nfs/dbraw/zinc/41/29/73/554412973.db2.gz ZFTXUHOJKPJUDA-UHFFFAOYSA-N 0 0 572.702 6.037 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000100550386 554414617 /nfs/dbraw/zinc/41/46/17/554414617.db2.gz OZXDNXAHLNPMSE-SANMLTNESA-N 0 0 560.492 6.138 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100552500 554415083 /nfs/dbraw/zinc/41/50/83/554415083.db2.gz CBXJKTCYDLGVPJ-ONOMSOESSA-N 0 0 532.011 6.463 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OC(C)C)cc1 ZINC000100553849 554415842 /nfs/dbraw/zinc/41/58/42/554415842.db2.gz XLUUKDLKKYWMFT-OOOSNSGVSA-N 0 0 551.683 6.630 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100556769 554416335 /nfs/dbraw/zinc/41/63/35/554416335.db2.gz ZBZIWEHLDQVTOK-HVIPQOSHSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557277 554416662 /nfs/dbraw/zinc/41/66/62/554416662.db2.gz LIBSZQHKIMAKRV-IADCTJSHSA-N 0 0 543.019 6.396 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100558074 554416949 /nfs/dbraw/zinc/41/69/49/554416949.db2.gz OBICSDQEKAZEQJ-NRUKRWIHSA-N 0 0 569.654 5.783 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559843 554417460 /nfs/dbraw/zinc/41/74/60/554417460.db2.gz GVQKZXPLGSCPKI-URAOTHONSA-N 0 0 608.518 7.082 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100559731 554417562 /nfs/dbraw/zinc/41/75/62/554417562.db2.gz ZMEQXLUJCKPEBE-SLGOVJDISA-N 0 0 602.525 6.614 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561771 554418373 /nfs/dbraw/zinc/41/83/73/554418373.db2.gz NHSDRWCENVXPMA-UTONBFNKSA-N 0 0 586.128 7.285 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000100561792 554418405 /nfs/dbraw/zinc/41/84/05/554418405.db2.gz VASDZXMKSPFRGD-UTONBFNKSA-N 0 0 586.128 7.488 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100564799 554419361 /nfs/dbraw/zinc/41/93/61/554419361.db2.gz NAVVCAFGVXOQBK-FOPBOCKXSA-N 0 0 563.694 7.122 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(I)c1 ZINC000100568170 554421020 /nfs/dbraw/zinc/42/10/20/554421020.db2.gz GUAHTABZVNTTPO-CPJSRVTESA-N 0 0 541.429 5.996 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100570162 554421637 /nfs/dbraw/zinc/42/16/37/554421637.db2.gz HAJBUKOLPPQXLX-TXBHVNISSA-N 0 0 571.577 5.993 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100574724 554422495 /nfs/dbraw/zinc/42/24/95/554422495.db2.gz URTYCWZEHRLZDX-CCLHPLFOSA-N 0 0 570.480 5.408 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000100574838 554422816 /nfs/dbraw/zinc/42/28/16/554422816.db2.gz UHHNMSBZGDALBH-NSYGIPOTSA-N 0 0 534.867 6.588 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100575887 554423100 /nfs/dbraw/zinc/42/31/00/554423100.db2.gz FOOOZNIMQQECMM-WXTAPIANSA-N 0 0 546.447 5.562 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100575905 554423370 /nfs/dbraw/zinc/42/33/70/554423370.db2.gz KADXRKNJWRAPRV-NLGDKJDOSA-N 0 0 572.101 7.242 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100578650 554424521 /nfs/dbraw/zinc/42/45/21/554424521.db2.gz WKPDYGDGBFXPSA-LGGPFLRQSA-N 0 0 580.519 6.704 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100583196 554425258 /nfs/dbraw/zinc/42/52/58/554425258.db2.gz NBGFRSMHANGMDW-UVDDSOTQSA-N 0 0 604.099 6.437 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000059706357 554425946 /nfs/dbraw/zinc/42/59/46/554425946.db2.gz UWMCGBAKKJNBSY-XJFCNFDWSA-N 0 0 553.655 5.860 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706402 554426263 /nfs/dbraw/zinc/42/62/63/554426263.db2.gz OSSKRQSOTDTIOW-IPZQJPLYSA-N 0 0 564.726 6.689 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000059706471 554426270 /nfs/dbraw/zinc/42/62/70/554426270.db2.gz LJLUPPHKPCITIX-YKGWIAGDSA-N 0 0 578.492 6.986 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000059706423 554426335 /nfs/dbraw/zinc/42/63/35/554426335.db2.gz FSVQCVWFXBYEQK-WINIVTDRSA-N 0 0 600.506 5.503 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000059720854 554426556 /nfs/dbraw/zinc/42/65/56/554426556.db2.gz RZPKJFQZJLUNSL-RWUDLHMNSA-N 0 0 574.688 7.648 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100587999 554427112 /nfs/dbraw/zinc/42/71/12/554427112.db2.gz OKHONEOBQLADDU-CHJDUVSTSA-N 0 0 549.664 5.814 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100588365 554427888 /nfs/dbraw/zinc/42/78/88/554427888.db2.gz MFSXIDMJISWXGE-GPNASLBKSA-N 0 0 569.654 5.566 50 30 KKEARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1 ZINC000059771824 554428711 /nfs/dbraw/zinc/42/87/11/554428711.db2.gz XWKIEVKCDVUGSL-UHFFFAOYSA-N 0 0 531.406 5.633 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000100593168 554429220 /nfs/dbraw/zinc/42/92/20/554429220.db2.gz VVFSWESXYBQUSI-IPBJYNAHSA-N 0 0 555.627 5.393 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100593325 554429403 /nfs/dbraw/zinc/42/94/03/554429403.db2.gz MNBAEYPXMCAEFK-SONOPUAISA-N 0 0 626.544 6.418 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100597658 554430384 /nfs/dbraw/zinc/43/03/84/554430384.db2.gz XXJFTXQYOOHVJZ-VGHVDPOBSA-N 0 0 614.533 6.187 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000100597817 554430594 /nfs/dbraw/zinc/43/05/94/554430594.db2.gz BJUDESOMDUMSOQ-YJNPBZNESA-N 0 0 597.708 6.224 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000059819428 554431299 /nfs/dbraw/zinc/43/12/99/554431299.db2.gz VJPLDRZXFNJZDU-JLPGSUDCSA-N 0 0 532.980 5.243 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100599991 554431359 /nfs/dbraw/zinc/43/13/59/554431359.db2.gz KQBRHVKRPNEHDO-MMTVBGGISA-N 0 0 555.593 6.570 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000100602780 554431833 /nfs/dbraw/zinc/43/18/33/554431833.db2.gz UQUUKXWTXRPNSI-DEOSSOPVSA-N 0 0 555.469 5.805 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100601563 554431853 /nfs/dbraw/zinc/43/18/53/554431853.db2.gz XEHBKCNATXWUGQ-DEOSSOPVSA-N 0 0 527.415 5.082 50 30 KKEARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)c1 ZINC000100602434 554431872 /nfs/dbraw/zinc/43/18/72/554431872.db2.gz IUFOEFKJEICSPV-UHFFFAOYSA-N 0 0 571.655 6.061 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100608103 554432306 /nfs/dbraw/zinc/43/23/06/554432306.db2.gz GHLHYSLEDVZXEQ-VWLOTQADSA-N 0 0 539.470 6.017 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2nc3ccc(Br)cc3s2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000100650130 554436908 /nfs/dbraw/zinc/43/69/08/554436908.db2.gz ANRJLHFHNLMLSW-QHCPKHFHSA-N 0 0 552.494 6.310 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2nc3ccc(Br)cc3s2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000100650132 554437088 /nfs/dbraw/zinc/43/70/88/554437088.db2.gz ANRJLHFHNLMLSW-HSZRJFAPSA-N 0 0 552.494 6.310 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000100650546 554437118 /nfs/dbraw/zinc/43/71/18/554437118.db2.gz POEVVOAOYSCLKC-AREMUKBSSA-N 0 0 530.422 6.243 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650260 554437150 /nfs/dbraw/zinc/43/71/50/554437150.db2.gz JDVIMBPMMNLEFY-OAQYLSRUSA-N 0 0 545.821 5.648 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(F)c(Oc2ccccc2)c1 ZINC000100657403 554438188 /nfs/dbraw/zinc/43/81/88/554438188.db2.gz DDPPPBAEOWRCTL-JGCGQSQUSA-N 0 0 532.615 8.071 50 30 KKEARN CCCC1(C)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C(=O)C(C)(CCC)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C1=O ZINC000100661503 554438826 /nfs/dbraw/zinc/43/88/26/554438826.db2.gz QZLYEQZTOOMESK-GXAJPARISA-N 0 0 632.794 6.291 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000100664925 554439988 /nfs/dbraw/zinc/43/99/88/554439988.db2.gz ATXXQWIVFRLJFQ-DEOSSOPVSA-N 0 0 582.520 6.319 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000100666885 554440473 /nfs/dbraw/zinc/44/04/73/554440473.db2.gz XOIUHJDYTMRWFG-MGBGTMOVSA-N 0 0 550.624 9.171 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000100669441 554440512 /nfs/dbraw/zinc/44/05/12/554440512.db2.gz QBXNTMHWNBSNLU-ADXZGYQBSA-N 0 0 530.571 5.982 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669458 554440714 /nfs/dbraw/zinc/44/07/14/554440714.db2.gz ZTCJSNNBQMAOMF-HRFSGMKKSA-N 0 0 581.432 7.468 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669840 554441010 /nfs/dbraw/zinc/44/10/10/554441010.db2.gz JFCLPWQIYVKUMZ-PIIWDFAUSA-N 0 0 546.545 6.434 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000100670266 554441244 /nfs/dbraw/zinc/44/12/44/554441244.db2.gz AHVXJUBIJSHKKO-PMERELPUSA-N 0 0 600.647 6.268 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100673975 554442546 /nfs/dbraw/zinc/44/25/46/554442546.db2.gz ZACVYXWOPHVPDR-ZPZUNKDASA-N 0 0 558.458 5.716 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100674277 554442819 /nfs/dbraw/zinc/44/28/19/554442819.db2.gz RWYQSMBXLVHFON-MMTVBGGISA-N 0 0 530.571 5.982 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000100674617 554442831 /nfs/dbraw/zinc/44/28/31/554442831.db2.gz CPLRUZKKBSEYQG-SSEXGKCCSA-N 0 0 543.660 6.368 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100674271 554442904 /nfs/dbraw/zinc/44/29/04/554442904.db2.gz JEFJLNZUTHDFDW-HXUWFJFHSA-N 0 0 530.850 5.478 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000100675221 554443312 /nfs/dbraw/zinc/44/33/12/554443312.db2.gz SHROJGZFWVNOTL-MUUNZHRXSA-N 0 0 527.548 6.093 50 30 KKEARN CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100679863 554445659 /nfs/dbraw/zinc/44/56/59/554445659.db2.gz ZFBGRWMOAONXFM-QHCPKHFHSA-N 0 0 550.633 5.599 50 30 KKEARN CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679846 554445674 /nfs/dbraw/zinc/44/56/74/554445674.db2.gz FNYVYLMDDWVJKA-HHHXNRCGSA-N 0 0 622.740 6.778 50 30 KKEARN CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679852 554445692 /nfs/dbraw/zinc/44/56/92/554445692.db2.gz FNYVYLMDDWVJKA-MHZLTWQESA-N 0 0 622.740 6.778 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100680417 554446691 /nfs/dbraw/zinc/44/66/91/554446691.db2.gz IBJFIBKKOSMTIG-SANMLTNESA-N 0 0 588.726 7.054 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681214 554447536 /nfs/dbraw/zinc/44/75/36/554447536.db2.gz UXBLYKJFFKLMDY-IRPSRAIASA-N 0 0 551.680 6.056 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000100681247 554447566 /nfs/dbraw/zinc/44/75/66/554447566.db2.gz KQESSCWFGNXWHS-LJAQVGFWSA-N 0 0 547.648 6.815 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681188 554447609 /nfs/dbraw/zinc/44/76/09/554447609.db2.gz SLAPORDPOPICCN-DGPALRBDSA-N 0 0 541.644 6.202 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059844673 554448341 /nfs/dbraw/zinc/44/83/41/554448341.db2.gz BAXQRYJHVNFLRS-AREMUKBSSA-N 0 0 534.008 5.802 50 30 biogenic KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100690748 554449935 /nfs/dbraw/zinc/44/99/35/554449935.db2.gz VONVIVQCDRGQAX-WVXBCFDCSA-N 0 0 579.715 5.677 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100691557 554450133 /nfs/dbraw/zinc/45/01/33/554450133.db2.gz OBBARAORXXPLLL-PPHZAIPVSA-N 0 0 572.123 6.111 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100691261 554450192 /nfs/dbraw/zinc/45/01/92/554450192.db2.gz MJSZSJQPURWNNM-IBVKSMDESA-N 0 0 556.522 6.116 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1cc(CCC)c(C#N)c2nc3ccccc3n21 ZINC000100693033 554450507 /nfs/dbraw/zinc/45/05/07/554450507.db2.gz QVCFNJYZRFIIEL-UHFFFAOYSA-N 0 0 502.791 9.985 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000100693449 554450521 /nfs/dbraw/zinc/45/05/21/554450521.db2.gz BCLZXYAPMHGUCZ-AREMUKBSSA-N 0 0 569.079 8.843 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000100693429 554450524 /nfs/dbraw/zinc/45/05/24/554450524.db2.gz IRIGEYLWPIVNCD-VWLOTQADSA-N 0 0 555.052 8.534 50 30 KKEARN O=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000100697437 554451081 /nfs/dbraw/zinc/45/10/81/554451081.db2.gz DXAPKYLFBXPQRX-UHFFFAOYSA-N 0 0 500.186 5.229 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100701898 554451997 /nfs/dbraw/zinc/45/19/97/554451997.db2.gz SJJXPCBRBAPKLM-NRFANRHFSA-N 0 0 508.987 7.487 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2Cl)cc1OC ZINC000100705897 554453084 /nfs/dbraw/zinc/45/30/84/554453084.db2.gz NZUTWBGUAKQCIS-OLILMLBXSA-N 0 0 536.068 6.595 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000100719244 554454933 /nfs/dbraw/zinc/45/49/33/554454933.db2.gz WEBHAXCKNMLVAO-LJQANCHMSA-N 0 0 509.931 5.885 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000100726534 554456959 /nfs/dbraw/zinc/45/69/59/554456959.db2.gz FLAJYJSLIULAJK-DEOSSOPVSA-N 0 0 551.068 8.575 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000100726584 554457170 /nfs/dbraw/zinc/45/71/70/554457170.db2.gz QWKSOANVVPEDQJ-HSZRJFAPSA-N 0 0 537.041 8.267 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000100726582 554457178 /nfs/dbraw/zinc/45/71/78/554457178.db2.gz VEUMPFFRJZWXQD-VWLOTQADSA-N 0 0 594.093 8.225 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728409 554458468 /nfs/dbraw/zinc/45/84/68/554458468.db2.gz WOFXBVOAKRZCRZ-GNTYDJQKSA-N 0 0 533.118 6.651 50 30 KKEARN N#Cc1c(SC[C@@H](O)C[S@@](=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728649 554458736 /nfs/dbraw/zinc/45/87/36/554458736.db2.gz RGZHNYDWZIRYGD-JTMIDMFHSA-N 0 0 525.120 6.404 50 30 KKEARN CC(C)(C)c1ccc([S@@](=O)C[C@@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728676 554458769 /nfs/dbraw/zinc/45/87/69/554458769.db2.gz RVCQWJNMBDEEOW-OBAIXPRGSA-N 0 0 532.756 6.907 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)C[C@@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728686 554458797 /nfs/dbraw/zinc/45/87/97/554458797.db2.gz CPCRQBYLVCGXDU-QFIPXVFZSA-N 0 0 548.755 6.573 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(SC)cc1 ZINC000100732575 554460269 /nfs/dbraw/zinc/46/02/69/554460269.db2.gz VVHFZLSNRTVJLO-RMUDUWAUSA-N 0 0 535.662 5.131 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732691 554460545 /nfs/dbraw/zinc/46/05/45/554460545.db2.gz PDHCWTPGEZJJCU-NQHRYMMQSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000100732795 554460912 /nfs/dbraw/zinc/46/09/12/554460912.db2.gz ONCPIFPNHPMOAO-DSSGHVNRSA-N 0 0 551.705 5.768 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccccc2)S1 ZINC000100749820 554466049 /nfs/dbraw/zinc/46/60/49/554466049.db2.gz OKQOGZRLPBGBDN-NGNZEAJZSA-N 0 0 543.523 5.474 50 30 KKEARN CCOC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000100762838 554468799 /nfs/dbraw/zinc/46/87/99/554468799.db2.gz PDDRUEURSCTHCT-XAYXJRQQSA-N 0 0 522.428 5.778 50 30 KKEARN CC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100772382 554471611 /nfs/dbraw/zinc/47/16/11/554471611.db2.gz JPMASCODIZEMJL-XAYXJRQQSA-N 0 0 527.393 6.256 50 30 KKEARN CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100774286 554471907 /nfs/dbraw/zinc/47/19/07/554471907.db2.gz NPMLDBWPHWBQLQ-JJKYIXSRSA-N 0 0 530.868 7.310 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000059895741 554472357 /nfs/dbraw/zinc/47/23/57/554472357.db2.gz WROGXQSRNUVXKM-XMMPIXPASA-N 0 0 561.388 5.678 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2Cc1cccnc1 ZINC000059901610 554472672 /nfs/dbraw/zinc/47/26/72/554472672.db2.gz UFJCIRSXDKHYSF-HSZRJFAPSA-N 0 0 526.342 5.105 50 30 KKEARN C/C(=N\OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]nc1-c1ccc(Br)cc1)c1ccccc1 ZINC000100793818 554473555 /nfs/dbraw/zinc/47/35/55/554473555.db2.gz WCJIMCANXJYUPH-UHVKISGKSA-N 0 0 541.409 5.372 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(/C)c5cccs5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000100820713 554479691 /nfs/dbraw/zinc/47/96/91/554479691.db2.gz RFPLUXAZVMNLHH-KYHGBAKBSA-N 0 0 525.590 6.224 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100831312 554482596 /nfs/dbraw/zinc/48/25/96/554482596.db2.gz JJBHXXZJZQDYRZ-XDNZSQCXSA-N 0 0 533.650 6.048 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837883 554484620 /nfs/dbraw/zinc/48/46/20/554484620.db2.gz RBNIGIGXKSKRTF-ONUIUJJFSA-N 0 0 544.101 7.159 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)SC1=S ZINC000100840281 554488151 /nfs/dbraw/zinc/48/81/51/554488151.db2.gz RMZDXZDLVYLGDV-IADYIPOJSA-N 0 0 561.817 8.588 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)CC)cc3)cc2)[C@H]1C(=O)Nc1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 ZINC000100841036 554489456 /nfs/dbraw/zinc/48/94/56/554489456.db2.gz SINRXHSTPVXJOU-ZPGRZCPFSA-N 0 0 616.802 10.026 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000100845692 554491210 /nfs/dbraw/zinc/49/12/10/554491210.db2.gz MEFGUTSPIFOZKZ-OCEWKHMESA-N 0 0 563.100 5.600 50 30 KKEARN CCCCCCCCCCCCCCCCCCSc1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1 ZINC000100853218 554493097 /nfs/dbraw/zinc/49/30/97/554493097.db2.gz FRCRTPWMBFCYAE-QVAGMWBUSA-N 0 0 525.803 10.394 50 30 KKEARN CCCCCCCCCCCCCCOc1ccc(N(C)CC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000100858602 554494106 /nfs/dbraw/zinc/49/41/06/554494106.db2.gz NPAFMRCVOVFDAA-UHFFFAOYSA-N 0 0 524.145 8.775 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCC)C2=O)c(C)c1 ZINC000100858043 554494127 /nfs/dbraw/zinc/49/41/27/554494127.db2.gz YZIKTMDBGJUEQP-HFTWOUSFSA-N 0 0 545.774 7.974 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3Cl)C2=O)SC1=S ZINC000100872084 554500556 /nfs/dbraw/zinc/50/05/56/554500556.db2.gz MFRVECOXGQXADK-DQSJHHFOSA-N 0 0 598.234 7.818 50 30 KKEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1 ZINC000100874181 554502760 /nfs/dbraw/zinc/50/27/60/554502760.db2.gz VXHFWTPLLFUFBN-FLWNBWAVSA-N 0 0 563.701 5.017 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000100888949 554510265 /nfs/dbraw/zinc/51/02/65/554510265.db2.gz MBIPLGGYVPOQHY-UHFFFAOYSA-N 0 0 554.535 6.278 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)nc2scc(-c3ccccc3)c2c1=O ZINC000100890091 554511566 /nfs/dbraw/zinc/51/15/66/554511566.db2.gz JGQKUFYSKSUUSN-UHFFFAOYSA-N 0 0 601.775 7.255 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]1c1cccc2ccccc21 ZINC000100914905 554519331 /nfs/dbraw/zinc/51/93/31/554519331.db2.gz GVKLSXRDTRWCEM-FPNNDXFKSA-N 0 0 516.553 5.682 50 30 KKEARN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]1c1cccc2ccccc21 ZINC000100914909 554519366 /nfs/dbraw/zinc/51/93/66/554519366.db2.gz GVKLSXRDTRWCEM-KJYTXNCISA-N 0 0 516.553 5.682 50 30 KKEARN CCCCCCCc1ccc(-c2c3c(nc(C=CNc4c(C)cccc4C)c2C#N)-c2ccccc2C3=O)cc1 ZINC000100917940 554520268 /nfs/dbraw/zinc/52/02/68/554520268.db2.gz WFHWFROQOXZMEV-QURGRASLSA-N 0 0 525.696 9.044 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000100918038 554520532 /nfs/dbraw/zinc/52/05/32/554520532.db2.gz QIVNLUMCIFQEHG-RBISFHTESA-N 0 0 565.688 5.148 50 30 KKEARN O=C(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100923475 554522897 /nfs/dbraw/zinc/52/28/97/554522897.db2.gz AFBOVHMONSNRAY-UHFFFAOYSA-N 0 0 526.277 6.729 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000100924885 554523374 /nfs/dbraw/zinc/52/33/74/554523374.db2.gz NUCMVKBIXWSWJT-UHFFFAOYSA-N 0 0 594.084 6.802 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000100924932 554523661 /nfs/dbraw/zinc/52/36/61/554523661.db2.gz AOWBENYGAYURCC-UHFFFAOYSA-N 0 0 580.057 6.493 50 30 KKEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100934294 554528888 /nfs/dbraw/zinc/52/88/88/554528888.db2.gz GRGJEXQVGSGBME-HHHXNRCGSA-N 0 0 530.543 5.042 50 30 KKEARN O=[N+]([O-])C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000100937148 554531048 /nfs/dbraw/zinc/53/10/48/554531048.db2.gz LRGBSFYAXSTEJW-RIYZIHGNSA-N 0 0 524.317 5.584 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000100940891 554532586 /nfs/dbraw/zinc/53/25/86/554532586.db2.gz YJTTXKFQZNSAJM-IHDPQJNZSA-N 0 0 527.581 5.204 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC(C)C)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000100948776 554536779 /nfs/dbraw/zinc/53/67/79/554536779.db2.gz QNWKOZWGIOAPKO-HHHXNRCGSA-N 0 0 517.651 5.484 50 30 KKEARN COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000068087592 554538391 /nfs/dbraw/zinc/53/83/91/554538391.db2.gz MZZLGJHLQGUVPN-HAWMADMCSA-N 0 0 637.514 9.763 50 30 investigational KKEARN Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000068562738 554538751 /nfs/dbraw/zinc/53/87/51/554538751.db2.gz IRKUQHGXXWUXGH-UHFFFAOYSA-N 0 0 553.212 6.943 50 30 KKEARN COc1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000068572888 554540070 /nfs/dbraw/zinc/54/00/70/554540070.db2.gz CVCNFNJPPYYAOH-UHFFFAOYSA-N 0 0 534.257 5.368 50 30 KKEARN COc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000068572887 554540068 /nfs/dbraw/zinc/54/00/68/554540068.db2.gz WEHAWVAWELJLQW-UHFFFAOYSA-N 0 0 534.257 5.368 50 30 KKEARN FC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000068572934 554540128 /nfs/dbraw/zinc/54/01/28/554540128.db2.gz QYJXLOJGVNOMNT-UHFFFAOYSA-N 0 0 579.138 5.488 50 30 KKEARN CC(=O)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000068572875 554540131 /nfs/dbraw/zinc/54/01/31/554540131.db2.gz MUEXGMXDPZKMOG-UHFFFAOYSA-N 0 0 546.268 5.562 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(I)ccc3O)nc(Nc3ccccc3)n2)c(C)c1 ZINC000100959345 554541904 /nfs/dbraw/zinc/54/19/04/554541904.db2.gz DWLWHPNTPFCARB-WGARJPEWSA-N 0 0 551.392 5.732 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000100969940 554543673 /nfs/dbraw/zinc/54/36/73/554543673.db2.gz ZLDPVUXKOUXQER-UHFFFAOYSA-N 0 0 622.872 9.846 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S ZINC000101009797 554557386 /nfs/dbraw/zinc/55/73/86/554557386.db2.gz OATWVIRVCPPLAQ-CLCOLTQESA-N 0 0 542.815 7.193 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2[nH]1 ZINC000101015328 554560040 /nfs/dbraw/zinc/56/00/40/554560040.db2.gz IVZDNSKXLZKUQI-UHFFFAOYSA-N 0 0 516.836 10.020 50 30 KKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000101017441 554561080 /nfs/dbraw/zinc/56/10/80/554561080.db2.gz WFXHWJYWPURYPU-UHFFFAOYSA-N 0 0 623.945 9.264 50 30 KKEARN CCCCCCCCCCCC(=O)Oc1ccccc1-c1ccccc1OC(=O)CCCCCCCCCCC ZINC000101017433 554561143 /nfs/dbraw/zinc/56/11/43/554561143.db2.gz ZEVBBBBPRGPFQB-UHFFFAOYSA-N 0 0 550.824 11.006 50 30 KKEARN O=C1C(Cl)=C(Cl)C(=N/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)C(Cl)=C1Cl ZINC000101028284 554564291 /nfs/dbraw/zinc/56/42/91/554564291.db2.gz KEKBTWXEGJFOPQ-LGUFXXKBSA-N 0 0 567.075 5.987 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072986 554576490 /nfs/dbraw/zinc/57/64/90/554576490.db2.gz QUVMCKCONUXHRG-ZZIWUOEGSA-N 0 0 577.456 6.073 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000101081477 554578950 /nfs/dbraw/zinc/57/89/50/554578950.db2.gz IFZOZJXDFVEYAT-HVBHHDDJSA-N 0 0 581.532 7.449 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Br)s1 ZINC000101089874 554581673 /nfs/dbraw/zinc/58/16/73/554581673.db2.gz IBNBTFDDFCJJTB-ZSEKCTLFSA-N 0 0 524.465 6.009 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000101100231 554587121 /nfs/dbraw/zinc/58/71/21/554587121.db2.gz VFMXTEOGMDQKNL-CIKQMSCWSA-N 0 0 504.380 5.394 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000101100232 554587132 /nfs/dbraw/zinc/58/71/32/554587132.db2.gz VFMXTEOGMDQKNL-RPUIFAKWSA-N 0 0 504.380 5.394 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101647 554638796 /nfs/dbraw/zinc/63/87/96/554638796.db2.gz WLJIJLIESWJZLD-ZZIWUOEGSA-N 0 0 577.456 6.073 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccccc2)cc1 ZINC000101108238 554640775 /nfs/dbraw/zinc/64/07/75/554640775.db2.gz XXKATXLQGYYCBD-FPQJKWOGSA-N 0 0 543.587 5.464 50 30 KKEARN O=C1/C(=C/c2cc(Br)cs2)CN(Cc2ccccc2)C/C1=C\c1cc(Br)cs1 ZINC000101114638 554642532 /nfs/dbraw/zinc/64/25/32/554642532.db2.gz FMIMZIFKPWDJGE-KGMKFKQSSA-N 0 0 535.326 6.887 50 30 KKEARN CCOc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Br)cc1OCC#N ZINC000101127260 554645992 /nfs/dbraw/zinc/64/59/92/554645992.db2.gz XIZKLQJYCFMXRT-VWLOTQADSA-N 0 0 548.462 5.563 50 30 KKEARN CCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000101128984 554647613 /nfs/dbraw/zinc/64/76/13/554647613.db2.gz WDWWHUHNTVEXBP-XIEYBQDHSA-N 0 0 505.709 7.028 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101129226 554647853 /nfs/dbraw/zinc/64/78/53/554647853.db2.gz DZWOFZQUXKZNLT-GVMLUORFSA-N 0 0 581.477 5.540 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1OC ZINC000101143198 554655185 /nfs/dbraw/zinc/65/51/85/554655185.db2.gz XBFMPCJUDDCDDR-LIHQEDGWSA-N 0 0 537.576 5.382 50 30 KKEARN CCOc1ccc(CCn2cnc3c(c2=N)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)cc1OCC ZINC000101176425 554664196 /nfs/dbraw/zinc/66/41/96/554664196.db2.gz IIXGPUPCDBTAOH-SANMLTNESA-N 0 0 513.638 5.570 50 30 KKEARN CCOc1ccc(CCn2cnc3c(c2=N)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)O3)cc1OCC ZINC000101176423 554664199 /nfs/dbraw/zinc/66/41/99/554664199.db2.gz IIXGPUPCDBTAOH-AREMUKBSSA-N 0 0 513.638 5.570 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000101184750 554668616 /nfs/dbraw/zinc/66/86/16/554668616.db2.gz JOTAAJJOBNUPHH-UHFFFAOYSA-N 0 0 528.907 8.537 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000101192578 554671046 /nfs/dbraw/zinc/67/10/46/554671046.db2.gz QXGOLVVPKUFPDK-JCMHNJIXSA-N 0 0 528.061 8.504 50 30 KKEARN CCCCCCCCCCCCCCCCC1CONCCCNOCCCONCCCNOC1 ZINC000101192769 554671063 /nfs/dbraw/zinc/67/10/63/554671063.db2.gz NQESDIIOYWZCLK-UHFFFAOYSA-N 0 0 516.812 5.743 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101194619 554671837 /nfs/dbraw/zinc/67/18/37/554671837.db2.gz VKWWBOPOKPOMRS-WPGLZZBSSA-N 0 0 503.639 5.970 50 30 KKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1CC=C ZINC000101195797 554672315 /nfs/dbraw/zinc/67/23/15/554672315.db2.gz DICDITQTMRUZSJ-UHFFFAOYSA-N 0 0 550.626 5.310 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204454 554674364 /nfs/dbraw/zinc/67/43/64/554674364.db2.gz GEMYAGXLXOKOMY-GDJIYFAZSA-N 0 0 614.533 6.188 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204539 554674592 /nfs/dbraw/zinc/67/45/92/554674592.db2.gz RDRDQDBHKRTBIC-DNOBIOAJSA-N 0 0 616.505 5.122 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccc(Cl)cc1Cl ZINC000101209521 554678251 /nfs/dbraw/zinc/67/82/51/554678251.db2.gz RZWKERBNHNYWNM-UHFFFAOYSA-N 0 0 561.531 6.280 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)c1cccc(Br)c1 ZINC000101209954 554678739 /nfs/dbraw/zinc/67/87/39/554678739.db2.gz OWTVEWOOEFSQSP-DEOSSOPVSA-N 0 0 539.495 5.652 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212702 554679803 /nfs/dbraw/zinc/67/98/03/554679803.db2.gz HICRACYKWJQTCJ-UVDDSOTQSA-N 0 0 618.524 6.580 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101213004 554680239 /nfs/dbraw/zinc/68/02/39/554680239.db2.gz GCSXXKKSJDDUED-JIYROHSKSA-N 0 0 632.551 6.622 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101213008 554680265 /nfs/dbraw/zinc/68/02/65/554680265.db2.gz GCSXXKKSJDDUED-HEIROHQZSA-N 0 0 632.551 6.622 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218071 554685241 /nfs/dbraw/zinc/68/52/41/554685241.db2.gz RSPZQUXAYINXQZ-QRRWFCJLSA-N 0 0 581.709 6.844 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101218414 554685486 /nfs/dbraw/zinc/68/54/86/554685486.db2.gz AOBFIWQULBMMTC-CLYVBNDRSA-N 0 0 632.573 5.838 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218576 554685675 /nfs/dbraw/zinc/68/56/75/554685675.db2.gz LDQOJCLLUWNLQB-CAQRMWTPSA-N 0 0 599.680 5.792 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101218594 554685905 /nfs/dbraw/zinc/68/59/05/554685905.db2.gz ZCIBPDLQUXDVRG-ZOYWYXQUSA-N 0 0 597.664 5.474 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218796 554686107 /nfs/dbraw/zinc/68/61/07/554686107.db2.gz LIRBSZXLDCQOMT-UHFFFAOYSA-N 0 0 575.905 6.315 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220669 554686562 /nfs/dbraw/zinc/68/65/62/554686562.db2.gz ZISCNSCBDFMPAA-JMQGSBJISA-N 0 0 616.505 5.035 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000101220716 554686894 /nfs/dbraw/zinc/68/68/94/554686894.db2.gz DHVGPPQGROZCTC-FWUCURJTSA-N 0 0 563.691 6.206 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc2c1nc1ccccn1c2=O ZINC000101228818 554689173 /nfs/dbraw/zinc/68/91/73/554689173.db2.gz BLSFLHAPPQWBEJ-UHFFFAOYSA-N 0 0 526.603 5.012 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(C)c3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000101237864 554692368 /nfs/dbraw/zinc/69/23/68/554692368.db2.gz PHEKOYTZOQPBRI-LITSAYRRSA-N 0 0 555.078 5.555 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237982 554692569 /nfs/dbraw/zinc/69/25/69/554692569.db2.gz BWOZVBGEWYUHRU-LEAFIULHSA-N 0 0 590.602 5.313 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5ON=C(c6ccc(OCc7ccccc7)cc6)[C@@H]45)[C@@H]3C1=O)CCCC2 ZINC000101265148 554698372 /nfs/dbraw/zinc/69/83/72/554698372.db2.gz DZJJONCLMAZKFQ-JWIJBQRISA-N 0 0 549.652 5.252 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276797 554703178 /nfs/dbraw/zinc/70/31/78/554703178.db2.gz WWZXNUYCGMYIBV-KXDYMIPJSA-N 0 0 602.709 6.169 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277836 554704086 /nfs/dbraw/zinc/70/40/86/554704086.db2.gz ZAPIVHLAAULHRM-ZHHPLPSFSA-N 0 0 532.618 5.300 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277736 554704253 /nfs/dbraw/zinc/70/42/53/554704253.db2.gz RLGDCJMKYZHUEJ-IIHDFJPDSA-N 0 0 558.656 5.867 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278336 554704788 /nfs/dbraw/zinc/70/47/88/554704788.db2.gz GHKBFIIPGICHNS-CIKQMSCWSA-N 0 0 560.628 5.143 50 30 KKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000101285540 554705720 /nfs/dbraw/zinc/70/57/20/554705720.db2.gz SCBUMTOTCYRWEI-VWLOTQADSA-N 0 0 507.631 6.255 50 30 KKEARN Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(-c4ncc(-c5ccccc5)o4)cc3)nn21 ZINC000101287785 554706540 /nfs/dbraw/zinc/70/65/40/554706540.db2.gz ROMHZTGRXRIBTA-LJAQVGFWSA-N 0 0 545.668 7.223 50 30 KKEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn32)cc1OC ZINC000101287773 554706583 /nfs/dbraw/zinc/70/65/83/554706583.db2.gz LKGVOKWIBACIHT-HKBQPEDESA-N 0 0 605.720 7.322 50 30 KKEARN Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(-c4ncc(-c5ccccc5)o4)cc3)nn21 ZINC000101287780 554706669 /nfs/dbraw/zinc/70/66/69/554706669.db2.gz ROMHZTGRXRIBTA-GDLZYMKVSA-N 0 0 545.668 7.223 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101289338 554707250 /nfs/dbraw/zinc/70/72/50/554707250.db2.gz KWQTYMTTZILJOC-JOCHJYFZSA-N 0 0 548.621 5.188 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000101292560 554709184 /nfs/dbraw/zinc/70/91/84/554709184.db2.gz LXVRVYJDRLGNOV-HXUWFJFHSA-N 0 0 546.907 7.223 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101294188 554710634 /nfs/dbraw/zinc/71/06/34/554710634.db2.gz NSBZSVPFKXPGCY-RIIRCPHSSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294130 554710683 /nfs/dbraw/zinc/71/06/83/554710683.db2.gz BEGKZYZNDAPAQC-NXLSWJSLSA-N 0 0 500.576 5.951 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294254 554710919 /nfs/dbraw/zinc/71/09/19/554710919.db2.gz DQQNPDMITVQYGI-IKZPYDRGSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294347 554711116 /nfs/dbraw/zinc/71/11/16/554711116.db2.gz VXAAZGPQXPUKCD-CZNAVJSXSA-N 0 0 556.596 5.267 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccc(F)cc4)nn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000101294961 554711819 /nfs/dbraw/zinc/71/18/19/554711819.db2.gz LXPWRCFEYGCLMR-QFIPXVFZSA-N 0 0 531.440 6.357 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccc(F)cc4)nn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000101294964 554711833 /nfs/dbraw/zinc/71/18/33/554711833.db2.gz LXPWRCFEYGCLMR-JOCHJYFZSA-N 0 0 531.440 6.357 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000101299992 554713556 /nfs/dbraw/zinc/71/35/56/554713556.db2.gz RNJUVPRKQGHVQM-UUALVTFQSA-N 0 0 538.625 6.222 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310244 554717243 /nfs/dbraw/zinc/71/72/43/554717243.db2.gz JOGWWNRRUDBNSK-FSDXSRJSSA-N 0 0 590.654 5.151 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310257 554717248 /nfs/dbraw/zinc/71/72/48/554717248.db2.gz JJASZBMSRDAAFW-QMDVFYPZSA-N 0 0 582.678 6.518 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310261 554717326 /nfs/dbraw/zinc/71/73/26/554717326.db2.gz JJASZBMSRDAAFW-HYVCFMKYSA-N 0 0 582.678 6.518 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310275 554717400 /nfs/dbraw/zinc/71/74/00/554717400.db2.gz QXKFCTJBIICVGU-JOMJOIQHSA-N 0 0 586.641 6.349 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310285 554717675 /nfs/dbraw/zinc/71/76/75/554717675.db2.gz CUWHZHXKQLWLAE-FLJNSMSWSA-N 0 0 598.677 6.218 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310406 554717752 /nfs/dbraw/zinc/71/77/52/554717752.db2.gz CECZCGQCQJNBMF-SLPYKNDMSA-N 0 0 598.677 6.274 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313480 554721919 /nfs/dbraw/zinc/72/19/19/554721919.db2.gz YUKUISDVRABOED-CJJGVWJISA-N 0 0 526.614 6.058 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313739 554722170 /nfs/dbraw/zinc/72/21/70/554722170.db2.gz HJMOHZVMTZWQHJ-HTUFKCTLSA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313730 554722216 /nfs/dbraw/zinc/72/22/16/554722216.db2.gz YLCDUJXVEBOAGL-UJWLLDLUSA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318647 554725976 /nfs/dbraw/zinc/72/59/76/554725976.db2.gz KVUJWPMSFGUUSH-JWXXLELASA-N 0 0 596.639 5.962 50 30 KKEARN C=CCS[C@]1(Br)NC2=C(CCCC2=Cc2ccccc2Cl)[C@H](c2ccccc2Cl)N1 ZINC000101320968 554728174 /nfs/dbraw/zinc/72/81/74/554728174.db2.gz BHDNWSOAPPDKCV-YRAGMPBZSA-N 0 0 522.339 7.674 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000101338193 554734605 /nfs/dbraw/zinc/73/46/05/554734605.db2.gz QPFFZELRDXIMIM-PMERELPUSA-N 0 0 574.649 5.022 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101344554 554736887 /nfs/dbraw/zinc/73/68/87/554736887.db2.gz BGZSBWRRJIJXKQ-OAQYLSRUSA-N 0 0 559.669 6.015 50 30 KKEARN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367871 554744161 /nfs/dbraw/zinc/74/41/61/554744161.db2.gz XHXQXXGYUMTZME-UHFFFAOYSA-N 0 0 559.091 7.318 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)cc2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367837 554744253 /nfs/dbraw/zinc/74/42/53/554744253.db2.gz FDHGBSJGXHDIGI-UHFFFAOYSA-N 0 0 577.081 7.457 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376319 554746346 /nfs/dbraw/zinc/74/63/46/554746346.db2.gz NASZIKHQRLLJHV-NRFANRHFSA-N 0 0 538.069 5.933 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376337 554746432 /nfs/dbraw/zinc/74/64/32/554746432.db2.gz JHYDDFFBKPFXJT-QFIPXVFZSA-N 0 0 538.069 5.933 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376330 554746438 /nfs/dbraw/zinc/74/64/38/554746438.db2.gz CXOAZCIPBACRNH-QFIPXVFZSA-N 0 0 538.069 5.933 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccc(-c4nc5ccccc5s4)o3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000101380610 554747883 /nfs/dbraw/zinc/74/78/83/554747883.db2.gz AEYAWHUYRHACBM-HXUWFJFHSA-N 0 0 538.669 7.213 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000101381741 554748498 /nfs/dbraw/zinc/74/84/98/554748498.db2.gz LXJOJOLDNPRJMV-UHFFFAOYSA-N 0 0 630.797 5.117 50 30 KKEARN Cc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@]3(O)C(F)(F)C(F)(F)C(F)(F)C(F)F)n2)cc1 ZINC000101384489 554748979 /nfs/dbraw/zinc/74/89/79/554748979.db2.gz UPXOPWREKGQNDR-HXUWFJFHSA-N 0 0 535.460 6.593 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@H]1c1ccc(C)cc1C ZINC000101384838 554749043 /nfs/dbraw/zinc/74/90/43/554749043.db2.gz XROICQISCWKBMH-SANMLTNESA-N 0 0 505.615 5.453 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1cccc(Cl)c1C)cn2CC ZINC000101391215 554754516 /nfs/dbraw/zinc/75/45/16/554754516.db2.gz QDORXCJQEJIAFJ-YUMHPJSZSA-N 0 0 534.151 5.754 50 30 KKEARN Cc1ccc(Sc2nn3c(c2NC(=O)c2ccccc2)N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000101411022 554763893 /nfs/dbraw/zinc/76/38/93/554763893.db2.gz FTNNHPBTEJAUCW-NDEPHWFRSA-N 0 0 569.130 7.907 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000101625268 554811014 /nfs/dbraw/zinc/81/10/14/554811014.db2.gz ICQJPDHSYAWLAF-UBFVSLLYSA-N 0 0 561.810 6.229 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000101643481 554814672 /nfs/dbraw/zinc/81/46/72/554814672.db2.gz KFSXTXBQKBPDCH-WACOAXRMSA-N 0 0 538.084 6.841 50 30 KKEARN CCCCCCCCCCCCC1(CCOP(=O)(OCC)OCC)COCCOCCCOCCOC1 ZINC000101650695 554817240 /nfs/dbraw/zinc/81/72/40/554817240.db2.gz WTJIVAYXSTYCNI-UHFFFAOYSA-N 0 0 552.730 7.342 50 30 KKEARN COc1cc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(c3sc5c(c3C#N)CCCC5)C(=O)[C@@H]42)ccc1OCc1ccccc1 ZINC000101670540 554824031 /nfs/dbraw/zinc/82/40/31/554824031.db2.gz BCHAIUYJSRUPKR-YSRQBBRGSA-N 0 0 579.678 5.261 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101671638 554825154 /nfs/dbraw/zinc/82/51/54/554825154.db2.gz SRHUAMVLRQSDGX-CXNUKBDRSA-N 0 0 569.592 5.710 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/N=c3/sc4ccccc4n3Cc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000101681503 554828502 /nfs/dbraw/zinc/82/85/02/554828502.db2.gz 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0 0 528.008 5.794 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000102053421 554872383 /nfs/dbraw/zinc/87/23/83/554872383.db2.gz PMIPIOMRBRASTP-QYBDOPJKSA-N 0 0 539.588 5.892 50 30 KKEARN O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000102056989 554872816 /nfs/dbraw/zinc/87/28/16/554872816.db2.gz QOCKXEDEQKTGHC-UHFFFAOYSA-N 0 0 578.272 6.947 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076497 554874555 /nfs/dbraw/zinc/87/45/55/554874555.db2.gz YAAOEFCXRQSSJY-UVBGKEGMSA-N 0 0 582.722 7.288 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076536 554874748 /nfs/dbraw/zinc/87/47/48/554874748.db2.gz AIHTVJDFXIHUJU-WNQPQFFOSA-N 0 0 560.672 6.029 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076555 554874862 /nfs/dbraw/zinc/87/48/62/554874862.db2.gz AIHTVJDFXIHUJU-AMKIGSDESA-N 0 0 560.672 6.029 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076786 554875064 /nfs/dbraw/zinc/87/50/64/554875064.db2.gz HGXYRFXDNVVVOH-SLPYKNDMSA-N 0 0 584.694 6.736 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ncccc34)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158717 554890111 /nfs/dbraw/zinc/89/01/11/554890111.db2.gz KWRNPBAZRQJXQK-NPGLLJSBSA-N 0 0 512.616 6.128 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Oc4ccccc4)cc3)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158760 554890169 /nfs/dbraw/zinc/89/01/69/554890169.db2.gz HJSAYWLCRWDUPK-XTUVAWEBSA-N 0 0 553.665 7.372 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168847 554890611 /nfs/dbraw/zinc/89/06/11/554890611.db2.gz MGVQDTGQKBHZTJ-NPJIAGGLSA-N 0 0 525.432 6.354 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000102169136 554890921 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COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102495106 554940321 /nfs/dbraw/zinc/94/03/21/554940321.db2.gz WFCYLEYMDSWMGB-GAPOMRBKSA-N 0 0 526.658 6.846 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102495583 554940378 /nfs/dbraw/zinc/94/03/78/554940378.db2.gz NQNRDWHZMWFUQA-NXLSWJSLSA-N 0 0 503.023 7.008 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102496400 554940864 /nfs/dbraw/zinc/94/08/64/554940864.db2.gz LCMYHOACSHYIPX-ONQGDUAMSA-N 0 0 546.620 5.217 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000102501792 554943437 /nfs/dbraw/zinc/94/34/37/554943437.db2.gz ZVCMOLSQVBHVHS-MIOXIQPJSA-N 0 0 595.523 6.025 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102502899 554943641 /nfs/dbraw/zinc/94/36/41/554943641.db2.gz BFTOXOJLTSAYOJ-WNQPQFFOSA-N 0 0 503.551 5.022 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102509783 554945980 /nfs/dbraw/zinc/94/59/80/554945980.db2.gz QNTWGJQNGFWLKI-HOGKFDNTSA-N 0 0 527.802 5.518 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102510627 554946029 /nfs/dbraw/zinc/94/60/29/554946029.db2.gz YOZZKGMWHOQZDY-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102510972 554946299 /nfs/dbraw/zinc/94/62/99/554946299.db2.gz BZXXGZRQFHNXQU-NPJIAGGLSA-N 0 0 516.594 6.584 50 30 KKEARN N#Cc1ccccc1N(C(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000102514394 554947260 /nfs/dbraw/zinc/94/72/60/554947260.db2.gz LPPTYQMMXYGUDL-UHFFFAOYSA-N 0 0 580.647 8.476 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102514628 554947599 /nfs/dbraw/zinc/94/75/99/554947599.db2.gz WLTIEMZVMXNQBY-WENCHWOGSA-N 0 0 541.644 6.210 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102515670 554947878 /nfs/dbraw/zinc/94/78/78/554947878.db2.gz CWOLWVBQOAVROD-UVDRRRQGSA-N 0 0 514.603 5.865 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102516790 554948238 /nfs/dbraw/zinc/94/82/38/554948238.db2.gz DAAUUFXTUDUVQQ-VEZPTTSMSA-N 0 0 580.637 5.617 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102517730 554948749 /nfs/dbraw/zinc/94/87/49/554948749.db2.gz YCCORVBWCAKOED-COUQNMRISA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518434 554949037 /nfs/dbraw/zinc/94/90/37/554949037.db2.gz WMQGRYQVOACUQP-UUALVTFQSA-N 0 0 614.676 5.856 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102520304 554949389 /nfs/dbraw/zinc/94/93/89/554949389.db2.gz NDZPXKXJGZACOQ-KQAPWQHSSA-N 0 0 542.613 5.725 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102525065 554951657 /nfs/dbraw/zinc/95/16/57/554951657.db2.gz WPYOIDPYEVCQQK-QKJBWNOYSA-N 0 0 500.595 6.802 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102526348 554952101 /nfs/dbraw/zinc/95/21/01/554952101.db2.gz QVRVMMYEBJPTOG-TXTDGAROSA-N 0 0 596.705 6.704 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc1)C1=C(N2)c2ccccc2C1=O ZINC000102527225 554952471 /nfs/dbraw/zinc/95/24/71/554952471.db2.gz PIVYJCCSLCYHFA-MHZLTWQESA-N 0 0 612.667 7.358 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527810 554952712 /nfs/dbraw/zinc/95/27/12/554952712.db2.gz XAYIFVDGZWAHQA-IUKMQXEJSA-N 0 0 546.601 5.347 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102527920 554952737 /nfs/dbraw/zinc/95/27/37/554952737.db2.gz ZLRCSMNYQPKYJS-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 ZINC000102529693 554953450 /nfs/dbraw/zinc/95/34/50/554953450.db2.gz PJZJUPGCXBSPGT-VEZPTTSMSA-N 0 0 617.068 10.006 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102532612 554954510 /nfs/dbraw/zinc/95/45/10/554954510.db2.gz YFPJOWOUSOIXAS-YELMDPSYSA-N 0 0 549.627 5.298 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102532619 554954521 /nfs/dbraw/zinc/95/45/21/554954521.db2.gz YFPJOWOUSOIXAS-FCLPXNLHSA-N 0 0 549.627 5.298 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537378 554956236 /nfs/dbraw/zinc/95/62/36/554956236.db2.gz HWLHOXCCMSGGLI-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102539008 554956826 /nfs/dbraw/zinc/95/68/26/554956826.db2.gz CLNWWNCDIFPOHU-IUKMQXEJSA-N 0 0 514.603 6.028 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102539106 554956842 /nfs/dbraw/zinc/95/68/42/554956842.db2.gz FTRJYXWMXGRAKY-QBCYBHDASA-N 0 0 545.632 6.193 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540284 554957377 /nfs/dbraw/zinc/95/73/77/554957377.db2.gz WTAKFKPURSGWNP-DFXXOVSGSA-N 0 0 514.622 5.559 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102542021 554957627 /nfs/dbraw/zinc/95/76/27/554957627.db2.gz IVFVOFKUQPBRRD-AHPONGEQSA-N 0 0 535.744 9.037 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102541758 554957642 /nfs/dbraw/zinc/95/76/42/554957642.db2.gz PZGAFXPWDXNIGL-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102546678 554959324 /nfs/dbraw/zinc/95/93/24/554959324.db2.gz QMJJHSVWTXLMMS-AIKCTZLLSA-N 0 0 517.006 6.208 50 30 KKEARN C=C(Cl)CSc1nnc(CCNC(=O)c2ccc3c(c2)c2ccccc2n3C)n1-c1ccc(OC)cc1 ZINC000102548387 554960223 /nfs/dbraw/zinc/96/02/23/554960223.db2.gz NIBFITLTVZJRDN-UHFFFAOYSA-N 0 0 532.069 5.738 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102549163 554960813 /nfs/dbraw/zinc/96/08/13/554960813.db2.gz GBZCFLCEYJTHQB-RFAFYKRUSA-N 0 0 526.614 5.817 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549677 554961109 /nfs/dbraw/zinc/96/11/09/554961109.db2.gz RIXJNUVAJPSGGL-ZZIWUOEGSA-N 0 0 543.557 5.219 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551285 554961890 /nfs/dbraw/zinc/96/18/90/554961890.db2.gz SWPJJPNAAMDUMO-ZZIWUOEGSA-N 0 0 533.005 5.964 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102551315 554961900 /nfs/dbraw/zinc/96/19/00/554961900.db2.gz HXITWGGWJGFFJI-QMMFTLRZSA-N 0 0 533.580 5.915 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000102552204 554962571 /nfs/dbraw/zinc/96/25/71/554962571.db2.gz SANVYHBHTLXTHM-WBMUNJTESA-N 0 0 512.587 5.645 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000102552209 554962590 /nfs/dbraw/zinc/96/25/90/554962590.db2.gz SANVYHBHTLXTHM-FSDXSRJSSA-N 0 0 512.587 5.645 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102553464 554963126 /nfs/dbraw/zinc/96/31/26/554963126.db2.gz LRFZTOTWTQMKBZ-TUKIDQFVSA-N 0 0 556.640 5.967 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556190 554964680 /nfs/dbraw/zinc/96/46/80/554964680.db2.gz JMKVPPQREACABT-ZZIWUOEGSA-N 0 0 516.550 5.450 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102556484 554964708 /nfs/dbraw/zinc/96/47/08/554964708.db2.gz WJGUDYMYWIQUFG-WGGXKBPPSA-N 0 0 543.616 5.310 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556197 554964759 /nfs/dbraw/zinc/96/47/59/554964759.db2.gz JMKVPPQREACABT-UVDRRRQGSA-N 0 0 516.550 5.450 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102557543 554965233 /nfs/dbraw/zinc/96/52/33/554965233.db2.gz UQZUJGLXYBHBSH-JVJOXMINSA-N 0 0 540.641 6.343 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102559108 554966466 /nfs/dbraw/zinc/96/64/66/554966466.db2.gz QMKNTDDWTQARGV-AFSDHNFUSA-N 0 0 628.747 7.134 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102559115 554966476 /nfs/dbraw/zinc/96/64/76/554966476.db2.gz QMKNTDDWTQARGV-YTOFDDCBSA-N 0 0 628.747 7.134 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102560361 554967668 /nfs/dbraw/zinc/96/76/68/554967668.db2.gz DGHFKCVJCFLMKK-UVQFCUKQSA-N 0 0 584.694 6.660 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560903 554968050 /nfs/dbraw/zinc/96/80/50/554968050.db2.gz UKMTYTQTZZFOPU-AYWGPLOBSA-N 0 0 518.978 5.656 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563853 554969134 /nfs/dbraw/zinc/96/91/34/554969134.db2.gz UJJAIBSZGCPLFL-ONQGDUAMSA-N 0 0 572.639 5.881 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563844 554969176 /nfs/dbraw/zinc/96/91/76/554969176.db2.gz UJJAIBSZGCPLFL-UUALVTFQSA-N 0 0 572.639 5.881 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102570542 554970238 /nfs/dbraw/zinc/97/02/38/554970238.db2.gz JVMTWIZMZVBYIA-LHRXRZTBSA-N 0 0 504.589 5.316 50 30 KKEARN O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000102575350 554971467 /nfs/dbraw/zinc/97/14/67/554971467.db2.gz BIAYJWXEUZZZGW-UHFFFAOYSA-N 0 0 576.346 8.306 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102595821 554976788 /nfs/dbraw/zinc/97/67/88/554976788.db2.gz BPUMWOLFMXIFCF-QMMFTLRZSA-N 0 0 614.720 6.826 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000102601506 554977647 /nfs/dbraw/zinc/97/76/47/554977647.db2.gz BHQPOPIVZRZVAJ-QMMFTLRZSA-N 0 0 503.727 8.590 50 30 KKEARN CCCCCN(CC#Cc1ccc(C#CCN(CCCCC)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl ZINC000102613375 554982863 /nfs/dbraw/zinc/98/28/63/554982863.db2.gz DVIMWMBRVGJLFF-UHFFFAOYSA-N 0 0 573.652 9.081 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F ZINC000102614309 554984033 /nfs/dbraw/zinc/98/40/33/554984033.db2.gz MEGKPHRRASRNFA-ZORLYMSLSA-N 0 0 535.744 9.037 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@H](c3ccc(OCc4ccccc4)c(OC)c3)O2)c1C#N ZINC000102618448 554985540 /nfs/dbraw/zinc/98/55/40/554985540.db2.gz CPLJSFRUASKIEN-NDEPHWFRSA-N 0 0 595.450 5.028 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102642503 554991045 /nfs/dbraw/zinc/99/10/45/554991045.db2.gz SDCVIHIZVPKSJE-OTQMSCLFSA-N 0 0 518.407 5.437 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102643854 554991228 /nfs/dbraw/zinc/99/12/28/554991228.db2.gz KWOQPAOUNJQGLP-DNNDWWBDSA-N 0 0 527.617 5.819 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102645477 554991888 /nfs/dbraw/zinc/99/18/88/554991888.db2.gz PEKOSTQMVCLJQZ-LOOKCOSASA-N 0 0 513.590 5.429 50 30 KKEARN C/C(=N\OCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)c1ccc(Br)cc1 ZINC000102647288 554993336 /nfs/dbraw/zinc/99/33/36/554993336.db2.gz JKKVCSXJQJLMHX-HPNXWYHWSA-N 0 0 593.481 7.477 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102647207 554993339 /nfs/dbraw/zinc/99/33/39/554993339.db2.gz OQFPNLUCEJIRBD-FFMCZVIESA-N 0 0 555.671 6.600 50 30 KKEARN C/C(=N/OCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)c1ccc(Br)cc1 ZINC000102647292 554993379 /nfs/dbraw/zinc/99/33/79/554993379.db2.gz JKKVCSXJQJLMHX-ICUTVXMZSA-N 0 0 593.481 7.477 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102650038 554995243 /nfs/dbraw/zinc/99/52/43/554995243.db2.gz FTRJYXWMXGRAKY-VXJPNWOUSA-N 0 0 545.632 6.193 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102650326 554995588 /nfs/dbraw/zinc/99/55/88/554995588.db2.gz QWLSKZDKAPHNSN-WSOTVMCUSA-N 0 0 575.661 6.262 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000102650777 554995643 /nfs/dbraw/zinc/99/56/43/554995643.db2.gz JSLAWAMHMXCUGR-CJJGVWJISA-N 0 0 542.613 5.655 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102651336 554995843 /nfs/dbraw/zinc/99/58/43/554995843.db2.gz RHDNGQLAVGJGME-NIOKHIIOSA-N 0 0 541.585 5.771 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651829 554996213 /nfs/dbraw/zinc/99/62/13/554996213.db2.gz VQNKEPRGKMLWSR-KODPQLEOSA-N 0 0 612.748 7.440 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652505 554996805 /nfs/dbraw/zinc/99/68/05/554996805.db2.gz XXCKYHABQAHDNN-LQRKZSIOSA-N 0 0 586.666 6.052 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102652792 554996868 /nfs/dbraw/zinc/99/68/68/554996868.db2.gz XINQQCBPBZFJNY-VIDUVWHZSA-N 0 0 593.680 5.696 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102653668 554997318 /nfs/dbraw/zinc/99/73/18/554997318.db2.gz BOOHOOQDZFWIQN-WKUSSTJHSA-N 0 0 589.113 7.468 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102654587 554997618 /nfs/dbraw/zinc/99/76/18/554997618.db2.gz CFTDZQANBPBEHM-WRPQUVRJSA-N 0 0 500.551 5.694 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102655446 554998256 /nfs/dbraw/zinc/99/82/56/554998256.db2.gz PZNROVYMGXBGRG-WMRKGWLDSA-N 0 0 529.637 5.288 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102655706 554998329 /nfs/dbraw/zinc/99/83/29/554998329.db2.gz RWAICWREIPEQFD-TVKWNQJWSA-N 0 0 573.690 5.542 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102655868 554998653 /nfs/dbraw/zinc/99/86/53/554998653.db2.gz DGHFKCVJCFLMKK-NMBOLVOSSA-N 0 0 584.694 6.660 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102655866 554998667 /nfs/dbraw/zinc/99/86/67/554998667.db2.gz DGHFKCVJCFLMKK-GVXIODQWSA-N 0 0 584.694 6.660 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102656196 554999126 /nfs/dbraw/zinc/99/91/26/554999126.db2.gz WKVNYRAWKOVRQD-TVKWNQJWSA-N 0 0 549.627 5.298 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657904 554999605 /nfs/dbraw/zinc/99/96/05/554999605.db2.gz AVHYVSJRHSXRKN-VZHVMDKCSA-N 0 0 574.630 6.183 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664302 555001138 /nfs/dbraw/zinc/00/11/38/555001138.db2.gz JVEIDLADPWFWMF-QBTYMPIYSA-N 0 0 558.631 6.564 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102665706 555001672 /nfs/dbraw/zinc/00/16/72/555001672.db2.gz MJECKADPLYITDS-WZLGSTDNSA-N 0 0 504.608 5.662 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102679299 555004736 /nfs/dbraw/zinc/00/47/36/555004736.db2.gz PHIBLTKXJSFJQB-HTUFKCTLSA-N 0 0 542.613 5.653 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102681886 555006009 /nfs/dbraw/zinc/00/60/09/555006009.db2.gz TURCIZIYGOVBNP-DGPALRBDSA-N 0 0 505.058 7.940 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102684735 555006843 /nfs/dbraw/zinc/00/68/43/555006843.db2.gz LPRDGIFQGDGJQC-VEEOACQBSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102684737 555006865 /nfs/dbraw/zinc/00/68/65/555006865.db2.gz LPRDGIFQGDGJQC-BVRKHOPBSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000102687700 555007300 /nfs/dbraw/zinc/00/73/00/555007300.db2.gz CIFNFQOJHWIFEG-OFSOJUDTSA-N 0 0 505.058 7.940 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000102690227 555007953 /nfs/dbraw/zinc/00/79/53/555007953.db2.gz MPSSQXCPLPZGCE-ZQWAWDFXSA-N 0 0 510.678 8.233 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102690803 555008150 /nfs/dbraw/zinc/00/81/50/555008150.db2.gz ROWMWAGHLLXMKI-SBXHHDGASA-N 0 0 500.576 5.557 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102690617 555008212 /nfs/dbraw/zinc/00/82/12/555008212.db2.gz KZLZXLWRGFRTRH-UVDRRRQGSA-N 0 0 529.574 5.765 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000102691832 555008630 /nfs/dbraw/zinc/00/86/30/555008630.db2.gz TUYFMIFHKNDFTH-UVDRRRQGSA-N 0 0 530.602 5.565 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102691718 555008649 /nfs/dbraw/zinc/00/86/49/555008649.db2.gz RAGBEVMELIGGAJ-NPJIAGGLSA-N 0 0 530.602 5.511 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000102691826 555008665 /nfs/dbraw/zinc/00/86/65/555008665.db2.gz TUYFMIFHKNDFTH-ZZIWUOEGSA-N 0 0 530.602 5.565 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1C ZINC000102695057 555010330 /nfs/dbraw/zinc/01/03/30/555010330.db2.gz BUJXHJAOWWUHNS-UVDRRRQGSA-N 0 0 502.567 5.996 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102695139 555010593 /nfs/dbraw/zinc/01/05/93/555010593.db2.gz YHUHSVWULODUKF-UVDRRRQGSA-N 0 0 528.586 5.335 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000102699037 555012422 /nfs/dbraw/zinc/01/24/22/555012422.db2.gz MYNWIEIQYYQGIO-WGGXKBPPSA-N 0 0 539.584 5.806 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102700399 555012876 /nfs/dbraw/zinc/01/28/76/555012876.db2.gz XRGCSSNRFIZKFV-VEZPTTSMSA-N 0 0 537.612 6.578 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000102703148 555013340 /nfs/dbraw/zinc/01/33/40/555013340.db2.gz GHYYEWJQJHPWQA-DHJMZRGKSA-N 0 0 512.631 6.671 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102703999 555013735 /nfs/dbraw/zinc/01/37/35/555013735.db2.gz KUVWYRQWAOOGOS-MOBKVPTQSA-N 0 0 519.420 6.248 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102706522 555015073 /nfs/dbraw/zinc/01/50/73/555015073.db2.gz ZAANQVHICSCWLU-ZZIWUOEGSA-N 0 0 519.022 6.510 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000102707343 555015416 /nfs/dbraw/zinc/01/54/16/555015416.db2.gz UIOFJKRFXBLIFH-CZNAVJSXSA-N 0 0 528.630 6.335 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102712104 555016975 /nfs/dbraw/zinc/01/69/75/555016975.db2.gz DNUHIVBFSQUDDC-TXTDGAROSA-N 0 0 513.590 5.207 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714752 555018264 /nfs/dbraw/zinc/01/82/64/555018264.db2.gz QYIOPETXOBDEPW-SBXHHDGASA-N 0 0 519.022 6.537 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102715378 555018531 /nfs/dbraw/zinc/01/85/31/555018531.db2.gz MNCYBFSEIRDCCX-IUKMQXEJSA-N 0 0 500.595 6.748 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719213 555019673 /nfs/dbraw/zinc/01/96/73/555019673.db2.gz MAVHYCQQGALTDE-ZHHPLPSFSA-N 0 0 515.547 5.402 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102726158 555021859 /nfs/dbraw/zinc/02/18/59/555021859.db2.gz QUQBOCDOFIIELX-CZNAVJSXSA-N 0 0 528.630 6.337 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102728202 555022514 /nfs/dbraw/zinc/02/25/14/555022514.db2.gz LASAKGODSKHIFQ-CZNAVJSXSA-N 0 0 544.629 6.037 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102727653 555022584 /nfs/dbraw/zinc/02/25/84/555022584.db2.gz BFLOMYUUSDKEJM-HOGKFDNTSA-N 0 0 535.419 6.002 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102729376 555022976 /nfs/dbraw/zinc/02/29/76/555022976.db2.gz UMEBVYGPRMRAHC-UUALVTFQSA-N 0 0 524.529 5.697 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@H]2c1cccc(Br)c1 ZINC000102729628 555023283 /nfs/dbraw/zinc/02/32/83/555023283.db2.gz PZFUMDQZVSIXIG-RRPNLBNLSA-N 0 0 529.434 6.935 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730042 555023310 /nfs/dbraw/zinc/02/33/10/555023310.db2.gz FELKMXGCFKWLON-NXLSWJSLSA-N 0 0 502.567 6.023 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102733200 555024328 /nfs/dbraw/zinc/02/43/28/555024328.db2.gz LKBSHUNZOKRQMT-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102734126 555024590 /nfs/dbraw/zinc/02/45/90/555024590.db2.gz WIUSWSXXNPMSNI-CJJGVWJISA-N 0 0 528.630 6.337 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735218 555024945 /nfs/dbraw/zinc/02/49/45/555024945.db2.gz SMVONXWOVPVOLR-GYBOJBDRSA-N 0 0 531.608 6.211 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734719 555024969 /nfs/dbraw/zinc/02/49/69/555024969.db2.gz BNSGCEHIEWSPIK-HOGKFDNTSA-N 0 0 504.564 5.404 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735306 555025353 /nfs/dbraw/zinc/02/53/53/555025353.db2.gz XESKBVLAHZYSNK-VDBNUPDGSA-N 0 0 531.608 6.211 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735527 555025463 /nfs/dbraw/zinc/02/54/63/555025463.db2.gz QXCQUOWGXDSOLV-WKUSSTJHSA-N 0 0 580.662 6.183 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735375 555025502 /nfs/dbraw/zinc/02/55/02/555025502.db2.gz SLTVRYFZNNNOIL-AYWGPLOBSA-N 0 0 518.566 5.641 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735517 555025536 /nfs/dbraw/zinc/02/55/36/555025536.db2.gz QXCQUOWGXDSOLV-XTUFCYCQSA-N 0 0 580.662 6.183 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735509 555025543 /nfs/dbraw/zinc/02/55/43/555025543.db2.gz SZBRRYZANGIISY-APJFQNNPSA-N 0 0 602.712 7.442 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735538 555025794 /nfs/dbraw/zinc/02/57/94/555025794.db2.gz AKWSCRIRFNPPCA-NBXYUPGTSA-N 0 0 588.685 7.133 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735575 555025801 /nfs/dbraw/zinc/02/58/01/555025801.db2.gz NZKYDUXURDSEDY-CNVPOXKWSA-N 0 0 588.685 7.655 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737007 555026506 /nfs/dbraw/zinc/02/65/06/555026506.db2.gz QLUGADQCJFSLRD-NIOKHIIOSA-N 0 0 541.585 5.771 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3cccnc3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102747780 555041448 /nfs/dbraw/zinc/04/14/48/555041448.db2.gz JMCPAWAMSYIYDJ-AREMUKBSSA-N 0 0 502.640 5.216 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000102754877 555046663 /nfs/dbraw/zinc/04/66/63/555046663.db2.gz PDAOXPFGNVNBEK-UHFFFAOYSA-N 0 0 557.119 6.337 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102770912 555058521 /nfs/dbraw/zinc/05/85/21/555058521.db2.gz CLIPPIZVUZAKLZ-NSOCNUKWSA-N 0 0 524.642 6.678 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102770853 555058622 /nfs/dbraw/zinc/05/86/22/555058622.db2.gz DPJQGHMCRVQFKD-NSOCNUKWSA-N 0 0 538.669 6.852 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770971 555059051 /nfs/dbraw/zinc/05/90/51/555059051.db2.gz GVNXIBLUDSRLRG-JLPDLQRYSA-N 0 0 583.735 6.904 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770977 555059090 /nfs/dbraw/zinc/05/90/90/555059090.db2.gz GVNXIBLUDSRLRG-KXDYMIPJSA-N 0 0 583.735 6.904 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771338 555060418 /nfs/dbraw/zinc/06/04/18/555060418.db2.gz SLNZQTBQQJFPDY-WRPQUVRJSA-N 0 0 527.558 5.463 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771400 555060431 /nfs/dbraw/zinc/06/04/31/555060431.db2.gz VMZQADAWYFPICE-HPASZNQBSA-N 0 0 502.979 5.899 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000102771551 555060570 /nfs/dbraw/zinc/06/05/70/555060570.db2.gz WVGKVSNEQNZRAE-NWEGDZBLSA-N 0 0 502.617 5.924 50 30 KKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102785011 555067476 /nfs/dbraw/zinc/06/74/76/555067476.db2.gz ZCMAJAVBRDCUQE-ZLHGTEGGSA-N 0 0 566.749 8.881 50 30 KKEARN CSC1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1c1ccccc1 ZINC000102785267 555067521 /nfs/dbraw/zinc/06/75/21/555067521.db2.gz XBUYPIYWAJXULK-NRFANRHFSA-N 0 0 548.289 7.484 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C/C=C1\S/C(=N\c2ccc(Oc3ccccc3)cc2)N(CC)C1=O ZINC000102786343 555067722 /nfs/dbraw/zinc/06/77/22/555067722.db2.gz BJTAOLKREWHHNU-MCKHWVHLSA-N 0 0 585.773 9.314 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000102794900 555071237 /nfs/dbraw/zinc/07/12/37/555071237.db2.gz DPCJMOPOADEJOS-VWLOTQADSA-N 0 0 564.029 5.495 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799692 555072435 /nfs/dbraw/zinc/07/24/35/555072435.db2.gz DMIPASDLBXREJG-YDJIHCHBSA-N 0 0 525.026 5.815 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1NC(C)=O ZINC000102815596 555075964 /nfs/dbraw/zinc/07/59/64/555075964.db2.gz ATHIDLCLMFKQNK-BTDHYQSWSA-N 0 0 533.750 6.189 50 30 biogenic KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102859107 555089314 /nfs/dbraw/zinc/08/93/14/555089314.db2.gz PHFJMSAJOWHHNS-ICQXDZJJSA-N 0 0 541.644 5.862 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102859650 555089984 /nfs/dbraw/zinc/08/99/84/555089984.db2.gz QEWZBVJYEAGQHX-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102861057 555091343 /nfs/dbraw/zinc/09/13/43/555091343.db2.gz AMNFSNAOCTYPLR-KXDYMIPJSA-N 0 0 501.579 5.794 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102861636 555091965 /nfs/dbraw/zinc/09/19/65/555091965.db2.gz BTVYLFUJDZSTIY-UUALVTFQSA-N 0 0 546.620 5.073 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102861617 555092005 /nfs/dbraw/zinc/09/20/05/555092005.db2.gz MDLNDNONNFTVOO-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000102862256 555092323 /nfs/dbraw/zinc/09/23/23/555092323.db2.gz ZUISLRHBEHGXKF-DNVJHFABSA-N 0 0 534.981 5.111 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102862769 555092522 /nfs/dbraw/zinc/09/25/22/555092522.db2.gz DOYAWPOMTUOPHU-ICQXDZJJSA-N 0 0 541.644 6.210 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102862649 555092552 /nfs/dbraw/zinc/09/25/52/555092552.db2.gz WHSZFBLXJDPQRR-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863492 555093316 /nfs/dbraw/zinc/09/33/16/555093316.db2.gz IHVUAAVUOFBFDF-HFEWCJDKSA-N 0 0 519.966 6.101 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102864244 555093841 /nfs/dbraw/zinc/09/38/41/555093841.db2.gz YQBWFNHNFBWZKX-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000102865284 555094859 /nfs/dbraw/zinc/09/48/59/555094859.db2.gz KPKHVEBCIIGSNJ-CZNAVJSXSA-N 0 0 571.512 5.080 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102865620 555095221 /nfs/dbraw/zinc/09/52/21/555095221.db2.gz FRQRCHIANCRGNC-QMMFTLRZSA-N 0 0 550.611 5.695 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102866330 555095432 /nfs/dbraw/zinc/09/54/32/555095432.db2.gz DKEJIBOAHHVEID-QJGFIUGVSA-N 0 0 542.632 5.605 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102866807 555096056 /nfs/dbraw/zinc/09/60/56/555096056.db2.gz MBUDKLVJUMSIJL-CJJGVWJISA-N 0 0 542.613 5.791 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102867555 555097072 /nfs/dbraw/zinc/09/70/72/555097072.db2.gz DIKMFJNLYNZYGU-DFXXOVSGSA-N 0 0 513.590 5.301 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869646 555099183 /nfs/dbraw/zinc/09/91/83/555099183.db2.gz WTTCCECBSHTVAU-LQRKZSIOSA-N 0 0 588.657 6.573 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102869837 555099497 /nfs/dbraw/zinc/09/94/97/555099497.db2.gz YDGOORKFIPSNLR-VEZPTTSMSA-N 0 0 550.611 5.695 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870162 555100089 /nfs/dbraw/zinc/10/00/89/555100089.db2.gz GWFONCWXCNHDAU-SMOAUKQDSA-N 0 0 628.747 7.222 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102872242 555102889 /nfs/dbraw/zinc/10/28/89/555102889.db2.gz XYCLMLKJOOZHBT-RFRSNRLQSA-N 0 0 614.720 6.888 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102875394 555105411 /nfs/dbraw/zinc/10/54/11/555105411.db2.gz ZPCOWYFGCHHAAP-MIOXIQPJSA-N 0 0 565.626 5.069 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102876277 555106250 /nfs/dbraw/zinc/10/62/50/555106250.db2.gz DHNGWQFQJIFSJM-OBVHCKHUSA-N 0 0 504.589 5.388 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102876840 555106628 /nfs/dbraw/zinc/10/66/28/555106628.db2.gz GZZCUMPRHBXYTR-KFLIVHAJSA-N 0 0 600.712 5.125 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102876843 555106739 /nfs/dbraw/zinc/10/67/39/555106739.db2.gz GZZCUMPRHBXYTR-SZYGQJGOSA-N 0 0 600.712 5.125 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878175 555107499 /nfs/dbraw/zinc/10/74/99/555107499.db2.gz XEMXVXVXJSKQCP-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879160 555108446 /nfs/dbraw/zinc/10/84/46/555108446.db2.gz NGVWQUBAOVDDIY-NXLSWJSLSA-N 0 0 546.601 5.265 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883503 555112077 /nfs/dbraw/zinc/11/20/77/555112077.db2.gz PGAPNRIGGMSGDN-IUKMQXEJSA-N 0 0 546.601 5.347 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883661 555112205 /nfs/dbraw/zinc/11/22/05/555112205.db2.gz GPHGQMFRBNRSMD-APJFQNNPSA-N 0 0 626.775 7.831 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883822 555112216 /nfs/dbraw/zinc/11/22/16/555112216.db2.gz GKKKHLFDZCVXIK-KODPQLEOSA-N 0 0 612.748 7.296 50 30 KKEARN CCCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102883688 555112348 /nfs/dbraw/zinc/11/23/48/555112348.db2.gz ZZDSAKVLLFPQPB-QHCPKHFHSA-N 0 0 590.379 8.931 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883791 555112367 /nfs/dbraw/zinc/11/23/67/555112367.db2.gz ILTCQIDYJRRCQM-ZHHPLPSFSA-N 0 0 520.994 5.902 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102883962 555112634 /nfs/dbraw/zinc/11/26/34/555112634.db2.gz MHVXHOIJVWPATE-IUKMQXEJSA-N 0 0 530.602 5.647 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102884402 555113153 /nfs/dbraw/zinc/11/31/53/555113153.db2.gz URQDIUNGHVBFOQ-WNQPQFFOSA-N 0 0 526.614 5.953 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884657 555113759 /nfs/dbraw/zinc/11/37/59/555113759.db2.gz SBUCTQDPQWJYEJ-SMOAUKQDSA-N 0 0 604.684 6.834 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102884718 555114154 /nfs/dbraw/zinc/11/41/54/555114154.db2.gz NELPNFOHBSZTKI-ZORLYMSLSA-N 0 0 578.621 5.452 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102884717 555114225 /nfs/dbraw/zinc/11/42/25/555114225.db2.gz NELPNFOHBSZTKI-AHPONGEQSA-N 0 0 578.621 5.452 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000102884891 555114772 /nfs/dbraw/zinc/11/47/72/555114772.db2.gz ONIXVVCQHCPJAA-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102885367 555115519 /nfs/dbraw/zinc/11/55/19/555115519.db2.gz MIVRXKBUTRHKOW-SBXHHDGASA-N 0 0 514.559 5.011 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102885556 555115726 /nfs/dbraw/zinc/11/57/26/555115726.db2.gz NSYMHDCOSXHFKB-FGEDTZIGSA-N 0 0 513.590 5.047 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885817 555116096 /nfs/dbraw/zinc/11/60/96/555116096.db2.gz WYDDNMHFRWZNDT-ONQGDUAMSA-N 0 0 510.546 5.587 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886676 555117224 /nfs/dbraw/zinc/11/72/24/555117224.db2.gz CKYDGXHMBNNJFI-HALAOQOWSA-N 0 0 513.575 5.040 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102886901 555117772 /nfs/dbraw/zinc/11/77/72/555117772.db2.gz UPIGAUWMFGGVSC-ZORLYMSLSA-N 0 0 571.670 6.090 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102887093 555118253 /nfs/dbraw/zinc/11/82/53/555118253.db2.gz ZKRIRQQFRGTIJC-CZNAVJSXSA-N 0 0 504.583 5.967 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887162 555118449 /nfs/dbraw/zinc/11/84/49/555118449.db2.gz IHNBFGHVAILJJJ-VZHVMDKCSA-N 0 0 602.665 5.671 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887352 555119191 /nfs/dbraw/zinc/11/91/91/555119191.db2.gz AIDHPMBPRMNHNY-YZUJGMDRSA-N 0 0 614.720 6.832 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887725 555119838 /nfs/dbraw/zinc/11/98/38/555119838.db2.gz OSUROUUHUGWTRO-ZLYDLHQSSA-N 0 0 602.709 6.313 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888196 555120820 /nfs/dbraw/zinc/12/08/20/555120820.db2.gz OHJHLKFYRIFQFV-FPRSLYQBSA-N 0 0 589.113 7.468 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888201 555121091 /nfs/dbraw/zinc/12/10/91/555121091.db2.gz OHJHLKFYRIFQFV-XKNZNLGKSA-N 0 0 589.113 7.468 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102888907 555122450 /nfs/dbraw/zinc/12/24/50/555122450.db2.gz JOIOPYPBZDMKRD-ZORLYMSLSA-N 0 0 562.751 8.806 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889058 555122732 /nfs/dbraw/zinc/12/27/32/555122732.db2.gz QTAVQNLQKPLJCM-XGHLFYEISA-N 0 0 526.614 5.871 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000102889015 555122965 /nfs/dbraw/zinc/12/29/65/555122965.db2.gz PZVOQGWTYHJBHZ-HFEWCJDKSA-N 0 0 504.589 5.372 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102889470 555123798 /nfs/dbraw/zinc/12/37/98/555123798.db2.gz MAJBNTLMXCCAFL-IUKMQXEJSA-N 0 0 511.603 5.669 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890123 555125048 /nfs/dbraw/zinc/12/50/48/555125048.db2.gz WVUJLQSISKMJIO-XTUFCYCQSA-N 0 0 568.695 6.942 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890418 555125542 /nfs/dbraw/zinc/12/55/42/555125542.db2.gz AYNPCPBFCQURER-AZIATFRCSA-N 0 0 626.775 7.686 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890614 555125900 /nfs/dbraw/zinc/12/59/00/555125900.db2.gz LNNUCCRRMHOXRE-AYWGPLOBSA-N 0 0 520.632 5.954 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890776 555126171 /nfs/dbraw/zinc/12/61/71/555126171.db2.gz MWKCKCAFSYPJDM-CJJGVWJISA-N 0 0 528.630 6.201 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102890924 555126420 /nfs/dbraw/zinc/12/64/20/555126420.db2.gz CFUJCKNZJDWNJO-WZEFDDPJSA-N 0 0 529.637 5.288 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102890862 555126447 /nfs/dbraw/zinc/12/64/47/555126447.db2.gz FEWVCGGDLQKRFT-DFXXOVSGSA-N 0 0 513.590 5.301 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891645 555127393 /nfs/dbraw/zinc/12/73/93/555127393.db2.gz KNSZFCXTNBZHRW-HTUFKCTLSA-N 0 0 542.613 5.659 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891639 555127483 /nfs/dbraw/zinc/12/74/83/555127483.db2.gz KNSZFCXTNBZHRW-UJWLLDLUSA-N 0 0 542.613 5.659 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891710 555127774 /nfs/dbraw/zinc/12/77/74/555127774.db2.gz DCFSFZCUCLAPKV-CJJGVWJISA-N 0 0 558.612 5.491 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892337 555128386 /nfs/dbraw/zinc/12/83/86/555128386.db2.gz URNKHSBUPCXBEN-AIKCTZLLSA-N 0 0 532.618 5.393 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892457 555128688 /nfs/dbraw/zinc/12/86/88/555128688.db2.gz RFWLPLWKLGRLBS-YDJIHCHBSA-N 0 0 508.571 5.301 50 30 KKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Oc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)N2 ZINC000102892768 555129358 /nfs/dbraw/zinc/12/93/58/555129358.db2.gz JLRCHDRUPUWRDC-HHHXNRCGSA-N 0 0 539.060 7.801 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892871 555129364 /nfs/dbraw/zinc/12/93/64/555129364.db2.gz VNCGHDCBSOLKHM-VEZPTTSMSA-N 0 0 606.656 6.281 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893075 555129804 /nfs/dbraw/zinc/12/98/04/555129804.db2.gz BWVTXOGCSXPRPL-PDZZUNKHSA-N 0 0 586.666 6.052 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893196 555130240 /nfs/dbraw/zinc/13/02/40/555130240.db2.gz POTISKLPGDLMIO-IZSGBISHSA-N 0 0 624.715 6.582 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102893722 555131402 /nfs/dbraw/zinc/13/14/02/555131402.db2.gz CEMFFTXZNMFDBH-MIOXIQPJSA-N 0 0 558.631 5.298 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102893856 555131662 /nfs/dbraw/zinc/13/16/62/555131662.db2.gz STVMCHPBRPUFIE-SBXHHDGASA-N 0 0 563.473 6.646 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894453 555132429 /nfs/dbraw/zinc/13/24/29/555132429.db2.gz QOOPQULXEIRCJI-LQRKZSIOSA-N 0 0 605.112 7.087 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894471 555132505 /nfs/dbraw/zinc/13/25/05/555132505.db2.gz AZTXZJNFHMQUIO-HTUFKCTLSA-N 0 0 561.059 6.688 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102895077 555133409 /nfs/dbraw/zinc/13/34/09/555133409.db2.gz NZYDLQKSNSPOQO-VEZPTTSMSA-N 0 0 550.659 5.349 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102895210 555133726 /nfs/dbraw/zinc/13/37/26/555133726.db2.gz WUFNMBKRGDBSRU-FGEDTZIGSA-N 0 0 512.606 5.596 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895305 555134091 /nfs/dbraw/zinc/13/40/91/555134091.db2.gz LXDGEFHFEZQFJQ-NPJIAGGLSA-N 0 0 530.602 5.511 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895737 555135288 /nfs/dbraw/zinc/13/52/88/555135288.db2.gz DLXDGKNWRPSBQC-CZNAVJSXSA-N 0 0 558.612 5.491 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895925 555135446 /nfs/dbraw/zinc/13/54/46/555135446.db2.gz YUOJAGQCIDNURX-VGZNNGDKSA-N 0 0 598.721 7.132 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895929 555135492 /nfs/dbraw/zinc/13/54/92/555135492.db2.gz YUOJAGQCIDNURX-UZGIXAGNSA-N 0 0 598.721 7.132 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896370 555136329 /nfs/dbraw/zinc/13/63/29/555136329.db2.gz GDMNMSWSHAUXTE-LLAWDOGUSA-N 0 0 556.640 6.043 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897190 555137606 /nfs/dbraw/zinc/13/76/06/555137606.db2.gz MMWRZLYIGBJROA-RFAFYKRUSA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897193 555137623 /nfs/dbraw/zinc/13/76/23/555137623.db2.gz MMWRZLYIGBJROA-HTUFKCTLSA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102897332 555137669 /nfs/dbraw/zinc/13/76/69/555137669.db2.gz TYECLEMJVXTJNA-NPJIAGGLSA-N 0 0 514.603 5.892 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899733 555139396 /nfs/dbraw/zinc/13/93/96/555139396.db2.gz MONFEMFFBKCPMI-YSJQHINGSA-N 0 0 628.747 7.222 50 30 KKEARN N#CCc1ccc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)n2-c2ccccc2)cc1 ZINC000102905154 555141209 /nfs/dbraw/zinc/14/12/09/555141209.db2.gz BKPYGGDDSFDFBO-UHFFFAOYSA-N 0 0 528.688 5.966 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102924164 555148576 /nfs/dbraw/zinc/14/85/76/555148576.db2.gz XBRRDHSRFFQXAX-GDLZYMKVSA-N 0 0 599.615 5.578 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102927559 555152211 /nfs/dbraw/zinc/15/22/11/555152211.db2.gz HNTHMYASZPOISF-FFMCZVIESA-N 0 0 555.671 6.252 50 30 KKEARN N#Cc1c2nc3ccccc3n2c(/C=C/c2ccc(Br)cc2)c2c1/C(=C/c1ccc(Br)cc1)CCC2 ZINC000102927713 555152407 /nfs/dbraw/zinc/15/24/07/555152407.db2.gz WFANOQRNNFCRQV-SUVVCHFKSA-N 0 0 595.338 8.931 50 30 KKEARN C=CCn1c(-c2c(N)c(C(=O)c3ccc(-c4ccccc4)cc3)sc2Nc2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000102929376 555155089 /nfs/dbraw/zinc/15/50/89/555155089.db2.gz SNDAPRSXRBWIOV-UHFFFAOYSA-N 0 0 597.144 6.906 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102929543 555155301 /nfs/dbraw/zinc/15/53/01/555155301.db2.gz QCVLSBZHYNOTOQ-SBXHHDGASA-N 0 0 502.567 6.194 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c(N)c(C(=O)Nc3ccccc3C#N)sc2Nc2ccc(C)c(C)c2)cc1 ZINC000102929711 555155809 /nfs/dbraw/zinc/15/58/09/555155809.db2.gz LZBMBMZUNUELEB-SANMLTNESA-N 0 0 553.644 5.388 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102930432 555157078 /nfs/dbraw/zinc/15/70/78/555157078.db2.gz CZJCBHFJCKQIBH-ANBMCXBTSA-N 0 0 575.661 6.610 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102931462 555158777 /nfs/dbraw/zinc/15/87/77/555158777.db2.gz DPGSAZKAHJVBMM-AHPONGEQSA-N 0 0 564.638 5.998 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3c4c(C)nn(-c5ccccc5)c4NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000102938616 555167160 /nfs/dbraw/zinc/16/71/60/555167160.db2.gz LZBSQKRYVJVGSH-HKBQPEDESA-N 0 0 584.742 6.672 50 30 KKEARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000102938795 555167402 /nfs/dbraw/zinc/16/74/02/555167402.db2.gz UQOBYNHJHHMIMS-NBHCHVEOSA-N 0 0 622.728 9.184 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940372 555168882 /nfs/dbraw/zinc/16/88/82/555168882.db2.gz AVBWPGFQMFWORI-KXQOOQHDSA-N 0 0 597.414 5.120 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccccc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940357 555168969 /nfs/dbraw/zinc/16/89/69/555168969.db2.gz LNNRIDJDXPDNTD-BHVANESWSA-N 0 0 570.407 5.351 50 30 KKEARN CCCOP(=O)(NC(C#CC#CC(CCC)(CCC)NP(=O)(OCCC)OCCC)(CCC)CCC)OCCC ZINC000102958026 555174447 /nfs/dbraw/zinc/17/44/47/555174447.db2.gz ALGCSFOXSRTWSQ-UHFFFAOYSA-N 0 0 604.750 8.773 50 30 KKEARN O=C(/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1)c1ccccc1 ZINC000102970650 555181379 /nfs/dbraw/zinc/18/13/79/555181379.db2.gz GHIRYZYIVHGSHC-LGUFXXKBSA-N 0 0 541.632 7.344 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102972952 555182812 /nfs/dbraw/zinc/18/28/12/555182812.db2.gz NHMNUJPQHOBVOI-AHWVRZQESA-N 0 0 570.281 7.027 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000102973084 555183120 /nfs/dbraw/zinc/18/31/20/555183120.db2.gz IYZXXIQVENCVLB-VTIYRKAUSA-N 0 0 589.574 8.996 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N(C(C)C)C(C)C)n2)C[C@@H]1C ZINC000102992545 555193216 /nfs/dbraw/zinc/19/32/16/555193216.db2.gz DKJQWXBYGKTFRI-FQEVSTJZSA-N 0 0 512.164 5.265 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000102992838 555193408 /nfs/dbraw/zinc/19/34/08/555193408.db2.gz BUABPNJWNAXLIM-LYBHJNIJSA-N 0 0 532.735 5.819 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)(C)C ZINC000102995383 555195016 /nfs/dbraw/zinc/19/50/16/555195016.db2.gz IHBWWFMLVCBDOR-UHFFFAOYSA-N 0 0 514.707 6.246 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000102995637 555195144 /nfs/dbraw/zinc/19/51/44/555195144.db2.gz SXHIUTWRIGEZBH-RUZDIDTESA-N 0 0 526.674 5.604 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102995742 555195213 /nfs/dbraw/zinc/19/52/13/555195213.db2.gz IERBDRWGHNNHAY-MHZLTWQESA-N 0 0 551.131 7.223 50 30 KKEARN CCCCCCCCC(=O)N1CCCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000102996047 555195468 /nfs/dbraw/zinc/19/54/68/555195468.db2.gz NVOJCVOQUMSLMM-UHFFFAOYSA-N 0 0 533.160 7.486 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000102996284 555195798 /nfs/dbraw/zinc/19/57/98/555195798.db2.gz JUXFSJRLNZMCJJ-QFIPXVFZSA-N 0 0 543.531 6.384 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000102996170 555195809 /nfs/dbraw/zinc/19/58/09/555195809.db2.gz MVJACUNDDPARPO-ZTOMLWHTSA-N 0 0 513.723 5.645 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)[C@@H](C)CC ZINC000102997436 555196713 /nfs/dbraw/zinc/19/67/13/555196713.db2.gz DHOMEPHWMMOQCK-VWLOTQADSA-N 0 0 558.829 7.413 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000102997670 555196970 /nfs/dbraw/zinc/19/69/70/555196970.db2.gz LLRKVNBMVXAZKN-SANMLTNESA-N 0 0 516.723 6.564 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C[C@@H]1CCCO1 ZINC000102997590 555197005 /nfs/dbraw/zinc/19/70/05/555197005.db2.gz VQEKQZYTONTULD-NDEPHWFRSA-N 0 0 639.189 6.852 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@H](C)CC ZINC000102998168 555197456 /nfs/dbraw/zinc/19/74/56/555197456.db2.gz IVISPJKNNJWORQ-UTKZUKDTSA-N 0 0 523.541 6.578 50 30 KKEARN CCCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(c3ccccc3)=C2C(=O)OCC)c1 ZINC000102998546 555197638 /nfs/dbraw/zinc/19/76/38/555197638.db2.gz LVZZVSBPMUSMKP-LJAQVGFWSA-N 0 0 533.713 7.217 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SCCCN32)cc1 ZINC000103000075 555199756 /nfs/dbraw/zinc/19/97/56/555199756.db2.gz LPSVGNSVTNXEBP-WJOKGBTCSA-N 0 0 560.808 8.308 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OCCOCC)nc2-c2ccc(C)cc2)cc1 ZINC000103000898 555200770 /nfs/dbraw/zinc/20/07/70/555200770.db2.gz ZDKDDGBTPIJECN-UHFFFAOYSA-N 0 0 548.772 8.298 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000103004524 555202888 /nfs/dbraw/zinc/20/28/88/555202888.db2.gz ZRAPWKOVSQWWCG-UHFFFAOYSA-N 0 0 559.574 7.328 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008460 555205265 /nfs/dbraw/zinc/20/52/65/555205265.db2.gz RGXNJCRAUUOLNA-BIYCFNCWSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103011299 555206255 /nfs/dbraw/zinc/20/62/55/555206255.db2.gz GCYRJTFRLLVFBM-FTBPSBKWSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103011692 555206478 /nfs/dbraw/zinc/20/64/78/555206478.db2.gz KDQLWFKNMHCOCZ-KJYTXNCISA-N 0 0 619.089 6.015 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103015078 555208690 /nfs/dbraw/zinc/20/86/90/555208690.db2.gz KEELLPFJOYQDOD-FTBPSBKWSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103015327 555208732 /nfs/dbraw/zinc/20/87/32/555208732.db2.gz JZHBJZKDLVMSEK-FTBPSBKWSA-N 0 0 587.654 5.184 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@H](C(=O)OC)c3ccc(F)cc3Cl)C2)cc1 ZINC000103016976 555209872 /nfs/dbraw/zinc/20/98/72/555209872.db2.gz BGZATNTVUUAOOW-HXAGEGRHSA-N 0 0 502.026 6.460 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103017094 555210045 /nfs/dbraw/zinc/21/00/45/555210045.db2.gz SUPOTKFPUMDACT-BPUDTRNYSA-N 0 0 582.600 5.514 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103019739 555211244 /nfs/dbraw/zinc/21/12/44/555211244.db2.gz PSWBFDRDTQPVAK-MVYHEMRASA-N 0 0 552.555 5.645 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000103054240 555235781 /nfs/dbraw/zinc/23/57/81/555235781.db2.gz RIEPLPWWIAJFSZ-VSGBNLITSA-N 0 0 511.751 6.003 50 30 KKEARN N#CCc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c(Cc2cccc(Cl)c2)c(C(F)(F)F)n1 ZINC000103056920 555237931 /nfs/dbraw/zinc/23/79/31/555237931.db2.gz NRBINESXLWBEHR-UHFFFAOYSA-N 0 0 534.369 5.421 50 30 KKEARN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000103064266 555244870 /nfs/dbraw/zinc/24/48/70/555244870.db2.gz ZBEQDXJXFJKEGV-UHFFFAOYSA-N 0 0 532.670 5.266 50 30 KKEARN C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000103064259 555244895 /nfs/dbraw/zinc/24/48/95/555244895.db2.gz LCMZZWHWNUGPGI-UHFFFAOYSA-N 0 0 545.690 5.926 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000103067471 555247636 /nfs/dbraw/zinc/24/76/36/555247636.db2.gz ZLXKCWOZKORNMO-NVNXTCNLSA-N 0 0 545.058 6.889 50 30 KKEARN C=CCn1c(SCC(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CCCC4)nc2sc3c(c2c1=O)CCCC3 ZINC000103069427 555250093 /nfs/dbraw/zinc/25/00/93/555250093.db2.gz HUOOVRTUIXYYER-UHFFFAOYSA-N 0 0 610.852 5.813 50 30 KKEARN CCCOc1c(I)cc(/C=C2\S/C(=N\c3ccc(C(=O)OCC)cc3)NC2=O)cc1OCC ZINC000103070059 555250934 /nfs/dbraw/zinc/25/09/34/555250934.db2.gz KSPQDZGIIVZUOR-ZHZULCJRSA-N 0 0 580.444 5.547 50 30 KKEARN Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)C=C2N(C)c4ccccc4C2(C)C)sc2c3CCCC2)cc1 ZINC000103079296 555257940 /nfs/dbraw/zinc/25/79/40/555257940.db2.gz WGYZIEMIRWTSDK-ONUIUJJFSA-N 0 0 541.742 6.607 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)n2Cc1ccco1 ZINC000103080327 555259065 /nfs/dbraw/zinc/25/90/65/555259065.db2.gz NSIXVNZVVPACES-UHFFFAOYSA-N 0 0 532.437 6.722 50 30 KKEARN O=C(c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCN(c2ccccc2F)CC1 ZINC000103080818 555259460 /nfs/dbraw/zinc/25/94/60/555259460.db2.gz FKFSGNFLPPSIEN-MRXNPFEDSA-N 0 0 540.483 5.752 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1 ZINC000103084463 555263245 /nfs/dbraw/zinc/26/32/45/555263245.db2.gz AODFCRIHUHANFL-UHFFFAOYSA-N 0 0 525.051 6.202 50 30 KKEARN O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000103113505 555286639 /nfs/dbraw/zinc/28/66/39/555286639.db2.gz DDRLUGCGQKRIDJ-AREMUKBSSA-N 0 0 613.599 6.247 50 30 KKEARN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000103116436 555288519 /nfs/dbraw/zinc/28/85/19/555288519.db2.gz WARFLOLDJBVOEP-AWEZNQCLSA-N 0 0 512.372 5.408 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@@H]1CCCC[C@@H]1[S@@](=O)Cc1ccccc1 ZINC000103120773 555290021 /nfs/dbraw/zinc/29/00/21/555290021.db2.gz LWFZMPQZNNSCAO-OEFJIIFMSA-N 0 0 586.804 7.634 50 30 KKEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F ZINC000103130794 555299970 /nfs/dbraw/zinc/29/99/70/555299970.db2.gz HEFLJNYKARPHQP-UHFFFAOYSA-N 0 0 558.929 6.117 50 30 KKEARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2C2CCCC2)cc1 ZINC000103136785 555306973 /nfs/dbraw/zinc/30/69/73/555306973.db2.gz KMXJKKHYOTVEQQ-QFIPXVFZSA-N 0 0 575.848 8.173 50 30 KKEARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C ZINC000103213661 555340592 /nfs/dbraw/zinc/34/05/92/555340592.db2.gz FEPLZIOZKSUJOL-UHFFFAOYSA-N 0 0 526.456 5.900 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCCCC)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000103230454 555341979 /nfs/dbraw/zinc/34/19/79/555341979.db2.gz OAHONWLSPXSFTE-MUUNZHRXSA-N 0 0 561.811 8.785 50 30 KKEARN Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)c1 ZINC000103385092 555373723 /nfs/dbraw/zinc/37/37/23/555373723.db2.gz YAZFNONBVFFKPO-UHFFFAOYSA-N 0 0 582.129 6.008 50 30 KKEARN CCCCCCCCCC(=O)N1CCN(c2nc([C@H](C)CCC)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000103431158 555413242 /nfs/dbraw/zinc/41/32/42/555413242.db2.gz SNPJXCKKJNZDPQ-HSZRJFAPSA-N 0 0 536.740 6.956 50 30 KKEARN Cc1ccc(C)c(-c2ccc3nc(-c4cccc([N+](=O)[O-])c4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)c1 ZINC000103432990 555415098 /nfs/dbraw/zinc/41/50/98/555415098.db2.gz OLOFVFAOGXWAJC-UHFFFAOYSA-N 0 0 606.708 5.572 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc4ccc([N+](=O)[O-])cc4s3)cc2)c1 ZINC000103439227 555418837 /nfs/dbraw/zinc/41/88/37/555418837.db2.gz ZPIZWKGGFRGFRM-OFFJZUQKSA-N 0 0 556.669 6.583 50 30 KKEARN OCC(N=Nc1nc2ccccc2n1Cc1ccccc1)N=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000103550880 555443684 /nfs/dbraw/zinc/44/36/84/555443684.db2.gz VBCJJKAPEJUZKQ-HSJSTESMSA-N 0 0 514.593 5.984 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000103558765 555447252 /nfs/dbraw/zinc/44/72/52/555447252.db2.gz NZABCSXLKJIZCG-VWEWBFCZSA-N 0 0 597.465 5.144 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000103559386 555447952 /nfs/dbraw/zinc/44/79/52/555447952.db2.gz XDOGVCPXVNRHKI-KMXUMHSJSA-N 0 0 619.515 6.958 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000103576986 555451001 /nfs/dbraw/zinc/45/10/01/555451001.db2.gz LQIQQCCAOZEMPZ-RWPZCVJISA-N 0 0 536.451 6.945 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/[C@H](c1ccccc1)[C@H](/N=C\c1c(O)ccc2ccccc21)c1ccccc1 ZINC000103658731 555461308 /nfs/dbraw/zinc/46/13/08/555461308.db2.gz XZHFWJJEJMNIAF-XMRYCHLFSA-N 0 0 520.632 8.425 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000052955533 562695903 /nfs/dbraw/zinc/69/59/03/562695903.db2.gz ISDSLLHLIWHWOI-COUXBJNASA-N 0 0 592.865 8.766 50 30 KKEARN Cc1nccn1C(=O)OC[C@]12CC[C@@H]([C@@H](C)C=O)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000052955627 562695915 /nfs/dbraw/zinc/69/59/15/562695915.db2.gz INUXEJAXAUKAGZ-KXKOWEGISA-N 0 0 566.827 7.454 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C/C(=C/n5ccnc5C)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095560829 562763195 /nfs/dbraw/zinc/76/31/95/562763195.db2.gz GKNSSJMHLJTIOC-TWGPPZMPSA-N 0 0 560.823 8.042 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNCCCN1CCOCC1)C(=O)C(=O)C3C(C)C)C(=CNCCCN1CCOCC1)C(=O)C(=O)C2C(C)C ZINC000150346004 562843210 /nfs/dbraw/zinc/84/32/10/562843210.db2.gz GBBGYMDPZSCBLJ-PUHRYQSPSA-N 0 0 770.968 5.703 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2Br)cc1 ZINC000299855619 562891708 /nfs/dbraw/zinc/89/17/08/562891708.db2.gz BBCHHZHONQIODT-UHFFFAOYSA-N 0 0 535.478 7.428 50 30 in-vitro KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000103848695 571363972 /nfs/dbraw/zinc/36/39/72/571363972.db2.gz IYTYULZCPWMZIL-OEAKJJBVSA-N 0 0 554.451 6.434 50 30 KKEARN O=C1c2cc([N+](=O)[O-])c(Cl)c3c2c(cc([N+](=O)[O-])c3Cl)/C1=C1/Sc2ccc3ccccc3c2C1=O ZINC000103874894 571368332 /nfs/dbraw/zinc/36/83/32/571368332.db2.gz JWUHLYIWHAYMSJ-MOHJPFBDSA-N 0 0 523.309 7.012 50 30 KKEARN C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N\CCCCCCCCCCCCCCCCCC ZINC000103884421 571368595 /nfs/dbraw/zinc/36/85/95/571368595.db2.gz JNWHNFSESPYHDL-WJGZEETPSA-N 0 0 555.898 9.777 50 30 KKEARN O=C(/C=C/c1cccc(/C=C\C(=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000103907072 571369415 /nfs/dbraw/zinc/36/94/15/571369415.db2.gz FUQDLTYHDKBCOA-KEEJTVGESA-N 0 0 576.652 7.983 50 30 KKEARN COc1ccc(C2=C(/C=N\CCc3c[nH]c4ccccc34)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000103955860 571370434 /nfs/dbraw/zinc/37/04/34/571370434.db2.gz CCUNELBHYTXERR-PCPFLGPMSA-N 0 0 528.652 7.743 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000104132094 571374578 /nfs/dbraw/zinc/37/45/78/571374578.db2.gz RFYMEDRMFMONQS-LJAQVGFWSA-N 0 0 523.032 7.959 50 30 KKEARN CCCCCCCCCCCCCCCCCCSC1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] ZINC000104199735 571376799 /nfs/dbraw/zinc/37/67/99/571376799.db2.gz SDPXOINOQCYWEX-UHFFFAOYSA-N 0 0 630.764 10.384 50 30 KKEARN O=c1c(C=[NH+]CCCN2CCOCC2)c(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000104258194 571378002 /nfs/dbraw/zinc/37/80/02/571378002.db2.gz FPBWJODHTPONTH-JVWAILMASA-N 0 0 528.103 5.275 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000104755041 571385765 /nfs/dbraw/zinc/38/57/65/571385765.db2.gz DZTLLLXFKVJZDB-PNTFMKQHSA-N 0 0 558.458 5.716 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccc6ccccc56)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877463 571409239 /nfs/dbraw/zinc/40/92/39/571409239.db2.gz UNJNXOBPRSHCNU-OLUIVMEMSA-N 0 0 578.881 10.293 50 30 KKEARN COc1ccc(/N=C2/S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C(=O)N2C)cc1 ZINC000105959057 571409435 /nfs/dbraw/zinc/40/94/35/571409435.db2.gz XJOWREPUYNYWJS-YZFSDQBZSA-N 0 0 509.971 6.070 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 ZINC000105959094 571409465 /nfs/dbraw/zinc/40/94/65/571409465.db2.gz UJDLARIYCMJAFQ-FVGZADTASA-N 0 0 523.998 6.460 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000105959126 571409583 /nfs/dbraw/zinc/40/95/83/571409583.db2.gz ATWHBIWHRWHLJG-ZKYXGDMKSA-N 0 0 596.503 7.205 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000106014803 571410363 /nfs/dbraw/zinc/41/03/63/571410363.db2.gz QBWPQTOAJSBQSC-LIXQUKQMSA-N 0 0 566.617 5.053 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]1c1cccc2ccccc21 ZINC000106340753 571411999 /nfs/dbraw/zinc/41/19/99/571411999.db2.gz GVKLSXRDTRWCEM-KZQOYIJHSA-N 0 0 516.553 5.682 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc(-c5ccc(F)cc5)cc(-c5ccccc5)c4c3N)c2)cc1 ZINC000113480087 571438829 /nfs/dbraw/zinc/43/88/29/571438829.db2.gz SYPBJVSNKQNBHY-DEDYPNTBSA-N 0 0 611.742 9.623 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](SC(=NC#N)Nc3ccccc3)C1=O)C[C@@H](c1ccccc1)CC2 ZINC000113481344 571439079 /nfs/dbraw/zinc/43/90/79/571439079.db2.gz XRYDBWYWVKGRKL-CVDCTZTESA-N 0 0 558.685 5.512 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)c(N)c32)c1 ZINC000113481501 571439084 /nfs/dbraw/zinc/43/90/84/571439084.db2.gz QWSVUEGKIQOUGM-KGENOOAVSA-N 0 0 623.778 9.493 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000113560466 571439950 /nfs/dbraw/zinc/43/99/50/571439950.db2.gz GAQXAQZMKPHIEQ-OUKQBFOZSA-N 0 0 549.599 7.774 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113561146 571440209 /nfs/dbraw/zinc/44/02/09/571440209.db2.gz TUXQUBSGSRVYSI-WUKNDPDISA-N 0 0 606.172 9.384 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccc(Cl)c(Cl)c4)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113561635 571440303 /nfs/dbraw/zinc/44/03/03/571440303.db2.gz UOLNPFMMCMNLSM-AANMJZCASA-N 0 0 588.476 5.912 50 30 KKEARN Cc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113563562 571440557 /nfs/dbraw/zinc/44/05/57/571440557.db2.gz JOEZXKWVQUDQCC-OFYULWLWSA-N 0 0 620.199 9.326 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1OC ZINC000113564566 571440818 /nfs/dbraw/zinc/44/08/18/571440818.db2.gz ZKOVBKCTEIQJAL-ISLYRVAYSA-N 0 0 617.752 8.440 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113564598 571440838 /nfs/dbraw/zinc/44/08/38/571440838.db2.gz DXDQBXQXLANWDN-KIYMODEPSA-N 0 0 601.753 8.373 50 30 KKEARN C[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@H]7CC[C@]56C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118915877 571443998 /nfs/dbraw/zinc/44/39/98/571443998.db2.gz SUDAZYBPONYEQT-GIMMWXDJSA-N 0 0 596.900 9.339 50 30 KKEARN COc1ccc(OCCn2cc(/C=C3\S/C(=N\C4CCCC4)N(C4CCCC4)C3=O)c3ccccc32)cc1 ZINC000223210834 571445598 /nfs/dbraw/zinc/44/55/98/571445598.db2.gz USKBEFGOQVGINF-WITODYBWSA-N 0 0 529.706 6.886 50 30 KKEARN O=C(/C=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150338520 571457107 /nfs/dbraw/zinc/45/71/07/571457107.db2.gz PCINQRFLHHIVBS-OWOJBTEDSA-N 0 0 880.204 9.377 50 30 KKEARN CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340530 571457848 /nfs/dbraw/zinc/45/78/48/571457848.db2.gz QHWFBGRTHMNLGS-UHFFFAOYSA-N 0 0 632.292 10.017 50 30 KKEARN O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(O)[C@H]1CCCC[C@@H]1N(O)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150340894 571457927 /nfs/dbraw/zinc/45/79/27/571457927.db2.gz VWHFLRGVWVBFFY-CXNSMIOJSA-N 0 0 714.906 9.583 50 30 KKEARN Clc1ccc(COc2c(Br)cc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2Br)c(Cl)c1 ZINC000150344798 571459504 /nfs/dbraw/zinc/45/95/04/571459504.db2.gz AKPZBVZSCAQSAI-AABVJFSESA-N 0 0 714.249 9.216 50 30 KKEARN FC(F)COP1(OCC(F)F)=NP(OCC(F)F)(OCC(F)F)=NP(OCC(F)F)(OCC(F)F)=N1 ZINC000150345298 571459852 /nfs/dbraw/zinc/45/98/52/571459852.db2.gz ZENPVEFDWIHAJJ-UHFFFAOYSA-N 0 0 621.189 7.529 50 30 KKEARN CCCCCCCCCCCC[C@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150345292 571459860 /nfs/dbraw/zinc/45/98/60/571459860.db2.gz JQADLJKVUIDLRH-UMSFTDKQSA-N 0 0 778.649 12.163 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(/C=C/C(=O)c4ccccc4)cc3)cc(N3C(=O)c4ccccc4C3=O)c2)cc1)c1ccccc1 ZINC000150347412 571460812 /nfs/dbraw/zinc/46/08/12/571460812.db2.gz WJVMFTMCZUAMOO-FQHZWJPGSA-N 0 0 721.769 8.784 50 30 KKEARN Cc1ccc(S(=O)(=O)N(c2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150348357 571461132 /nfs/dbraw/zinc/46/11/32/571461132.db2.gz FDNFHLJVTYLIFU-UHFFFAOYSA-N 0 0 657.817 7.943 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C4CCCCC4)cc3)c(OC)c2)SC1=S ZINC000150348629 571461248 /nfs/dbraw/zinc/46/12/48/571461248.db2.gz BYRCCGRLTKRVFV-BWAHOGKJSA-N 0 0 635.589 7.193 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(I)cc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150349053 571461355 /nfs/dbraw/zinc/46/13/55/571461355.db2.gz RYVWSGKTCNKKMX-ZHSUKTGHSA-N 0 0 685.128 9.094 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)C(=O)C3C(C)C)C(=CNc1cccc(C(F)(F)F)c1)C(=O)C(=O)C2C(C)C ZINC000150349572 571461537 /nfs/dbraw/zinc/46/15/37/571461537.db2.gz GHELLSJQQXPCOS-LZUTUTKMSA-N 0 0 804.784 11.341 50 30 biogenic KKEARN CCCCOc1ccc(C(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150350950 571462043 /nfs/dbraw/zinc/46/20/43/571462043.db2.gz GYZCBKNDSCBQEV-UHFFFAOYSA-N 0 0 619.374 8.176 50 30 KKEARN Cc1ccccc1/N=C/c1cc(Cc2ccc(OC(=O)c3ccccc3)c(/C=N/c3ccccc3C)c2)ccc1OC(=O)c1ccccc1 ZINC000150352053 571462310 /nfs/dbraw/zinc/46/23/10/571462310.db2.gz LEAGKLFQZDMLGZ-LAWFDDFESA-N 0 0 642.755 9.834 50 30 KKEARN Cn1c(CC#N)c(C(=O)c2ccc(Cl)cc2Cl)c(C(=O)c2ccc(Cl)cc2Cl)c1C(=O)C(Cl)(Cl)Cl ZINC000150354437 571462980 /nfs/dbraw/zinc/46/29/80/571462980.db2.gz DJRNOHNHLUOZIB-UHFFFAOYSA-N 0 0 611.523 7.720 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5nc(SCC(=O)N6CCOCC6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000150359898 571463732 /nfs/dbraw/zinc/46/37/32/571463732.db2.gz AGMKPBOXBCUEMN-OKCVXOCRSA-N 0 0 651.817 7.066 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Br)cc1 ZINC000150361479 571463912 /nfs/dbraw/zinc/46/39/12/571463912.db2.gz FDFPNMMRXRVJPG-UHFFFAOYSA-N 0 0 691.400 8.042 50 30 KKEARN COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)cc2s1 ZINC000150362304 571463998 /nfs/dbraw/zinc/46/39/98/571463998.db2.gz RSXCECLBGWCAHQ-WCMJOSRZSA-N 0 0 643.797 8.455 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc3c(c2)OCO3)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000150364597 571464458 /nfs/dbraw/zinc/46/44/58/571464458.db2.gz ZJEATMIYOZOGFA-UWXQCODUSA-N 0 0 764.872 6.919 50 30 KKEARN O=C(/C=C/c1ccccc1)Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)/C=C/c5ccccc5)c4)c(F)c3F)c(F)c2F)c1 ZINC000150372344 571465961 /nfs/dbraw/zinc/46/59/61/571465961.db2.gz BCDBAXLCUNUTGF-XPWSMXQVSA-N 0 0 772.648 11.355 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150384215 571468127 /nfs/dbraw/zinc/46/81/27/571468127.db2.gz CDXRSUQFAPYXKQ-FPNNDXFKSA-N 0 0 652.641 6.380 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000150384231 571468258 /nfs/dbraw/zinc/46/82/58/571468258.db2.gz WPXBYZPPNWYIEK-FPNNDXFKSA-N 0 0 669.096 6.895 50 30 KKEARN N#C[C@@]12CN(c3ccc(Br)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Br)cc4)CN3C1=S)C21CCCCC1 ZINC000150386590 571469408 /nfs/dbraw/zinc/46/94/08/571469408.db2.gz WXDDKLLHPQMPRH-RRPNLBNLSA-N 0 0 638.433 6.479 50 30 KKEARN C=CCO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1=O ZINC000150388076 571470642 /nfs/dbraw/zinc/47/06/42/571470642.db2.gz BKVVBCGLSZCQGE-MSIQMXJESA-N 0 0 775.899 6.414 50 30 KKEARN COc1ccc(CCNC2=C(C(NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1OC ZINC000150395041 571475788 /nfs/dbraw/zinc/47/57/88/571475788.db2.gz WHEQUEMXPSMZFV-UHFFFAOYSA-N 0 0 641.436 7.079 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150395142 571475847 /nfs/dbraw/zinc/47/58/47/571475847.db2.gz SNPUTNQLXGUHQM-UGDMGKLASA-N 0 0 648.550 6.589 50 30 KKEARN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150398152 571477116 /nfs/dbraw/zinc/47/71/16/571477116.db2.gz HKTCQTSRLANKAC-UHFFFAOYSA-N 0 0 678.467 8.051 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150398782 571477428 /nfs/dbraw/zinc/47/74/28/571477428.db2.gz OHTDDMXWVUOEIO-QZVQSRICSA-N 0 0 677.739 5.133 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000150400497 571478059 /nfs/dbraw/zinc/47/80/59/571478059.db2.gz NYGXGFMABGNCBA-ADXZGYQBSA-N 0 0 646.600 6.141 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150401366 571478277 /nfs/dbraw/zinc/47/82/77/571478277.db2.gz YMVLZIVZGIELPG-WHLCRQNOSA-N 0 0 646.600 6.229 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCCCCSc3nc(-c4ccc(OC)cc4)cc(-c4ccc(OC)cc4)c3C#N)n2)cc1 ZINC000150405906 571479489 /nfs/dbraw/zinc/47/94/89/571479489.db2.gz DZZJXDIUJSXOEC-UHFFFAOYSA-N 0 0 750.946 10.587 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000150409752 571482072 /nfs/dbraw/zinc/48/20/72/571482072.db2.gz AOELLSRNDQRGSZ-JRPXNJEYSA-N 0 0 634.523 6.156 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(C(=O)/C=C/c6ccccc6)c5)c(=O)c4c(C(=O)c4ccc(Cl)cc4)c3c2=O)c1 ZINC000150416285 571485764 /nfs/dbraw/zinc/48/57/64/571485764.db2.gz ULQJCKMWNOZJLP-GJHDBBOXSA-N 0 0 767.193 7.567 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000150420925 571487372 /nfs/dbraw/zinc/48/73/72/571487372.db2.gz HLNAFXGNARICQK-YGGPCNKPSA-N 0 0 635.583 8.994 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Cl)cc2Cl)c1[P@@](=O)(Nc1ccc(SC(F)F)cc1)N1CCOCC1 ZINC000150421266 571487452 /nfs/dbraw/zinc/48/74/52/571487452.db2.gz PHGLGHHTFBOCQT-LDLOPFEMSA-N 0 0 629.457 6.242 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccc(Br)cc1 ZINC000150425130 571489478 /nfs/dbraw/zinc/48/94/78/571489478.db2.gz RPZVIRAOCXAKLZ-UHFFFAOYSA-N 0 0 628.927 7.344 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)c1 ZINC000150426116 571490439 /nfs/dbraw/zinc/49/04/39/571490439.db2.gz SDXVLDDJOMEUQY-UHFFFAOYSA-N 0 0 693.165 7.401 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc2)o1 ZINC000150426177 571490445 /nfs/dbraw/zinc/49/04/45/571490445.db2.gz USTZHETUOQGYQQ-AFAGHSJZSA-N 0 0 716.885 8.542 50 30 KKEARN C=CCn1c(SCc2c(F)c(F)c(OC)c(F)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000150426535 571490694 /nfs/dbraw/zinc/49/06/94/571490694.db2.gz NXUDPEOREAHZSU-UHFFFAOYSA-N 0 0 626.632 7.229 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426820 571491094 /nfs/dbraw/zinc/49/10/94/571491094.db2.gz YLOAVMLQKROHKK-WRONEBCDSA-N 0 0 644.559 5.813 50 30 KKEARN C[C@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cc2ccc(NC(=O)CSC(=S)N3CCCC[C@@H]3C)c(C#N)c2)cc1C#N ZINC000150427509 571491545 /nfs/dbraw/zinc/49/15/45/571491545.db2.gz FTDUDUPHZFGYMZ-GOTSBHOMSA-N 0 0 678.975 6.683 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000150428960 571492425 /nfs/dbraw/zinc/49/24/25/571492425.db2.gz OBKWBKOIFPPKHM-QZVQSRICSA-N 0 0 630.726 5.051 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435628 571495529 /nfs/dbraw/zinc/49/55/29/571495529.db2.gz RWRGISZWCFFKKW-HTDBSKDNSA-N 0 0 632.738 7.532 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435646 571495716 /nfs/dbraw/zinc/49/57/16/571495716.db2.gz IZMFDJIOYIIQEF-LCWNDPLPSA-N 0 0 653.156 7.877 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435681 571495888 /nfs/dbraw/zinc/49/58/88/571495888.db2.gz HVHKVIAFIOCFPO-GXKLCEICSA-N 0 0 648.737 7.232 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000150438197 571496827 /nfs/dbraw/zinc/49/68/27/571496827.db2.gz UWWOCFFTQIOTOD-BWUCGBNQSA-N 0 0 633.483 5.651 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150438950 571497254 /nfs/dbraw/zinc/49/72/54/571497254.db2.gz BFYBGFYJVQTRFE-OERBVKOISA-N 0 0 677.782 6.548 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150442660 571499002 /nfs/dbraw/zinc/49/90/02/571499002.db2.gz JPZJVEQSSBQFFX-YKGWIAGDSA-N 0 0 636.970 7.354 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445219 571500167 /nfs/dbraw/zinc/50/01/67/571500167.db2.gz CIXDOCCDZHMTLZ-DDLSXHCZSA-N 0 0 654.741 6.556 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000150454310 571503953 /nfs/dbraw/zinc/50/39/53/571503953.db2.gz JRFQFQHCIMIROV-UUALVTFQSA-N 0 0 634.707 5.769 50 30 KKEARN O=C1c2ccccc2C(=O)C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000150458463 571505488 /nfs/dbraw/zinc/50/54/88/571505488.db2.gz PDSOZGOSJJPBLI-UHFFFAOYSA-N 0 0 642.575 5.425 50 30 KKEARN CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469469 571508557 /nfs/dbraw/zinc/50/85/57/571508557.db2.gz UZYONSMJFVBLET-QMMFTLRZSA-N 0 0 708.258 7.849 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469600 571508832 /nfs/dbraw/zinc/50/88/32/571508832.db2.gz ZOWUBCWHELYFQW-QBTYMPIYSA-N 0 0 652.625 8.210 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470493 571509303 /nfs/dbraw/zinc/50/93/03/571509303.db2.gz SHOWNIFECWAEIA-DFXXOVSGSA-N 0 0 664.205 7.450 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN[C@H](C)c1ccccc1)C(=O)C(=O)C3C(C)C)C(=CN[C@H](C)c1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150473904 571510359 /nfs/dbraw/zinc/51/03/59/571510359.db2.gz QZMZXIWBPGRBOD-OTGXODOQSA-N 0 0 724.898 9.781 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150479709 571511709 /nfs/dbraw/zinc/51/17/09/571511709.db2.gz IPCQOUJRKRXLAC-GEFUHLBYSA-N 0 0 640.571 6.721 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c(OC)c1 ZINC000150483029 571513694 /nfs/dbraw/zinc/51/36/94/571513694.db2.gz HOZDBXKYZGUZAX-HTXNQAPBSA-N 0 0 667.812 9.593 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000150482959 571513722 /nfs/dbraw/zinc/51/37/22/571513722.db2.gz OYYIBRCJVNAOLY-ISLYRVAYSA-N 0 0 667.812 9.593 50 30 KKEARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@@H](C)C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3)o2)cc1 ZINC000150483367 571514017 /nfs/dbraw/zinc/51/40/17/571514017.db2.gz NLGBBZUXAKHYCL-FDPLMRFMSA-N 0 0 700.886 8.842 50 30 KKEARN C[C@@H](Sc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000150484292 571514761 /nfs/dbraw/zinc/51/47/61/571514761.db2.gz HZKOLTRTZCCFCI-OJOQNFFISA-N 0 0 765.755 9.296 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3cccc4ccccc43)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000150484371 571514965 /nfs/dbraw/zinc/51/49/65/571514965.db2.gz MYCGZIHIIBAVKN-JSSZYCLJSA-N 0 0 681.839 9.535 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c(OC)c1 ZINC000150485065 571515629 /nfs/dbraw/zinc/51/56/29/571515629.db2.gz JTIHPUJQOZAYGO-MHOQICJOSA-N 0 0 681.839 9.535 50 30 KKEARN Cc1ccc([C@H]2[C@H](C(=O)c3ccc4ccccc4c3)[C@@](O)(c3ccc4ccccc4c3)C[C@@H](c3ccc(C)cc3)[C@]2(C#N)c2cccc(C)c2)cc1 ZINC000150493465 571517400 /nfs/dbraw/zinc/51/74/00/571517400.db2.gz FKCUKXQZBVUVHA-RIRFVRBKSA-N 0 0 675.872 11.038 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Cl ZINC000150500822 571518745 /nfs/dbraw/zinc/51/87/45/571518745.db2.gz LKIUYQQIOGIKCJ-UHFFFAOYSA-N 0 0 649.062 7.326 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509467 571519560 /nfs/dbraw/zinc/51/95/60/571519560.db2.gz XHSQOFXPJDAERL-WKRVVKTRSA-N 0 0 648.550 6.676 50 30 KKEARN Cn1c(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc2ccccc21 ZINC000150553340 571520983 /nfs/dbraw/zinc/52/09/83/571520983.db2.gz HXRUUQLDAKKLKH-CMPLNLGQSA-N 0 0 625.235 6.384 50 30 KKEARN Cn1c(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc2ccccc21 ZINC000150553349 571520985 /nfs/dbraw/zinc/52/09/85/571520985.db2.gz HXRUUQLDAKKLKH-PWSUYJOCSA-N 0 0 625.235 6.384 50 30 KKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc2s/c(=N/NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n(C)c2c1 ZINC000150577531 571521733 /nfs/dbraw/zinc/52/17/33/571521733.db2.gz IOJYGPWCOQKISL-ULIFNZDWSA-N 0 0 715.042 6.539 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000150580669 571521735 /nfs/dbraw/zinc/52/17/35/571521735.db2.gz FCSXVCOKKWTGDU-KSEXSDGBSA-N 0 0 634.854 6.779 50 30 KKEARN N=C(Nc1cccc2ccccc21)SCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000150598541 571522327 /nfs/dbraw/zinc/52/23/27/571522327.db2.gz FWDZXHMZHIBVTQ-WMMMYUQOSA-N 0 0 627.444 5.318 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)/C=C\c4ccccc4)c3)cc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000150638621 571524494 /nfs/dbraw/zinc/52/44/94/571524494.db2.gz GAJUNDCBDPSNHK-MMUCEYJRSA-N 0 0 721.769 8.784 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000150643800 571524888 /nfs/dbraw/zinc/52/48/88/571524888.db2.gz XJSGZAAWTKGYRA-QHCPKHFHSA-N 0 0 662.937 8.871 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150645106 571524969 /nfs/dbraw/zinc/52/49/69/571524969.db2.gz JVFYCQMVHMBBCS-DFXMODJXSA-N 0 0 697.611 5.597 50 30 KKEARN CC(C)(C)C(=O)Nc1cc(C(=O)Nc2cccc(/C=C\C(=O)c3ccccc3)c2)cc(C(=O)Nc2cccc(/C=C\C(=O)c3ccccc3)c2)c1 ZINC000150653523 571526056 /nfs/dbraw/zinc/52/60/56/571526056.db2.gz WUSQDIVSEAVOHE-YEUCEMRASA-N 0 0 675.785 8.968 50 30 KKEARN O=C1N/C(=N\c2cccc(/N=C3/NC(=O)/C(=C(\c4ccccc4)c4ccc(Br)cc4)S3)c2)S/C1=C(\c1ccccc1)c1ccc(Br)cc1 ZINC000150654619 571526452 /nfs/dbraw/zinc/52/64/52/571526452.db2.gz RXKZEZSPYOPRFA-IUQQBYGBSA-N 0 0 792.578 9.832 50 30 KKEARN O=C(Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000150662066 571527492 /nfs/dbraw/zinc/52/74/92/571527492.db2.gz RGOBXCHVXDQONT-UHFFFAOYSA-N 0 0 646.428 8.012 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000150662935 571527992 /nfs/dbraw/zinc/52/79/92/571527992.db2.gz RFHOVXJLKWHJPN-NQHRYMMQSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000150663313 571528008 /nfs/dbraw/zinc/52/80/08/571528008.db2.gz OWQSYSUQJIASIT-BUUDZMLXSA-N 0 0 628.644 6.433 50 30 KKEARN CCCN1C(=O)/C(=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000150663640 571528146 /nfs/dbraw/zinc/52/81/46/571528146.db2.gz SSYAKMLJDZZTKQ-ZEXTTWEMSA-N 0 0 661.372 7.721 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164990040 571552229 /nfs/dbraw/zinc/55/22/29/571552229.db2.gz POFXNOHVAKKASZ-LFRDXLMFSA-N 0 0 676.116 6.870 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000169617265 571553794 /nfs/dbraw/zinc/55/37/94/571553794.db2.gz JFINWHAGRNLNSQ-JHPRIADQSA-N 0 0 554.481 6.170 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000169617775 571553887 /nfs/dbraw/zinc/55/38/87/571553887.db2.gz LGSLFLGFTDVEAZ-AKVABIHCSA-N 0 0 614.533 6.187 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1ccc(F)cc1 ZINC000169620011 571554265 /nfs/dbraw/zinc/55/42/65/571554265.db2.gz ACZOJDSSONXVNU-YOTKCMSZSA-N 0 0 526.652 7.450 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680855 571556919 /nfs/dbraw/zinc/55/69/19/571556919.db2.gz BYUDPCLHQGHAGR-QABMSTFYSA-N 0 0 509.760 5.814 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3N2)cc1OC ZINC000169683197 571558058 /nfs/dbraw/zinc/55/80/58/571558058.db2.gz PWNONGKAAGCGHV-BUTRMIIQSA-N 0 0 545.587 5.871 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@H]1CCCO1)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000169704599 571559045 /nfs/dbraw/zinc/55/90/45/571559045.db2.gz NVAYIMNXZLAEQS-NTFQWFPTSA-N 0 0 598.490 5.256 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795590 571560656 /nfs/dbraw/zinc/56/06/56/571560656.db2.gz IVWMVBZXKIOILW-SMYKQSBYSA-N 0 0 648.106 6.689 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCCC(COS(=O)(=O)c3ccc(C)cc3)(COS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000196404758 571564121 /nfs/dbraw/zinc/56/41/21/571564121.db2.gz ZRMKHMNPBYIYCO-UHFFFAOYSA-N 0 0 835.009 5.568 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@H](OCc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000198686712 571568091 /nfs/dbraw/zinc/56/80/91/571568091.db2.gz FXEMNUKLELAQSW-WAXWMDJUSA-N 0 0 666.770 5.207 50 30 KKEARN O=C(Oc1ccc(-c2ccc(O)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000198696528 571568290 /nfs/dbraw/zinc/56/82/90/571568290.db2.gz PMIAKXJLDLKLOY-UHFFFAOYSA-N 0 0 582.259 7.339 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)-c1ccccc1C2)[C@@H](O)c1ccccc1 ZINC000198690023 571568293 /nfs/dbraw/zinc/56/82/93/571568293.db2.gz ZFINKWNLKNPMLT-PXLJZGITSA-N 0 0 605.841 7.883 50 30 KKEARN O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@](F)(C(F)(F)F)O[C@@](F)(C(F)(F)F)C1(F)F ZINC000198696171 571568328 /nfs/dbraw/zinc/56/83/28/571568328.db2.gz VWRYGZVLKQUPFI-HOTGVXAUSA-N 0 0 592.283 6.984 50 30 KKEARN CCCCCCCCCC(=O)OCCN1CCN(C(=O)CCCOc2ccc3oc(=O)cc(C)c3c2)CC1 ZINC000198709462 571568679 /nfs/dbraw/zinc/56/86/79/571568679.db2.gz RQHQHOFZRZJSNA-UHFFFAOYSA-N 0 0 528.690 5.089 50 30 KKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c1OCc1ccc(Br)cc1 ZINC000198706558 571568725 /nfs/dbraw/zinc/56/87/25/571568725.db2.gz OXMRWWNGZOABQZ-UHFFFAOYSA-N 0 0 564.520 7.010 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@@H](c4ccc(Cl)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@H](c2ccc(Cl)cc2)O1 ZINC000198727006 571568889 /nfs/dbraw/zinc/56/88/89/571568889.db2.gz PETUERHDTWFKLF-AARKOHAPSA-N 0 0 751.707 9.432 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1cccc(/N=C/c3cccnc3Cl)c1)C[C@H](c1ccccc1)CC2 ZINC000215718933 571585170 /nfs/dbraw/zinc/58/51/70/571585170.db2.gz XAILMJUALDVYBH-XRNVTWDNSA-N 0 0 543.117 7.422 50 30 KKEARN CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000215717591 571585175 /nfs/dbraw/zinc/58/51/75/571585175.db2.gz BZTOFKRJSWEMKV-QVKXOTOPSA-N 0 0 509.100 7.053 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(/N=C/c4cccnc4Cl)cc3)sc2C1 ZINC000215720875 571585317 /nfs/dbraw/zinc/58/53/17/571585317.db2.gz NRWYLYJJDQYYNS-IKKNOINJSA-N 0 0 523.127 7.301 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccc(/N=C/c4cccnc4Cl)cc3)c3ccccc3)sc2C1 ZINC000215722265 571585321 /nfs/dbraw/zinc/58/53/21/571585321.db2.gz RCCRUXAXIMFAJZ-ICSBXLDBSA-N 0 0 557.144 8.016 50 30 KKEARN CC(=O)N1CCc2c(C#N)c(NC(=O)CSc3ccccc3/N=C/c3cccnc3Cl)sc2C1 ZINC000215721693 571585333 /nfs/dbraw/zinc/58/53/33/571585333.db2.gz QTWBULCADWMOFC-KVSWJAHQSA-N 0 0 510.044 5.054 50 30 KKEARN COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000217639945 571602135 /nfs/dbraw/zinc/60/21/35/571602135.db2.gz DXSPEPKHQCMJID-VXYCCBPDSA-N 0 0 521.569 5.723 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000217674075 571602347 /nfs/dbraw/zinc/60/23/47/571602347.db2.gz YUFTXJZDUDGNRJ-JVAFGIKQSA-N 0 0 537.584 5.745 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000217672205 571602373 /nfs/dbraw/zinc/60/23/73/571602373.db2.gz BAGMIDNHTXPJLG-YPCDYVTLSA-N 0 0 584.572 6.386 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3coc5ccc(Cl)cc5c3=O)CC(=O)O4)C2=O)cc1 ZINC000217776475 571602617 /nfs/dbraw/zinc/60/26/17/571602617.db2.gz HTRQTSCIGYRQTH-MLZDUOQFSA-N 0 0 500.890 5.512 50 30 biogenic KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)cc1 ZINC000218056814 571603209 /nfs/dbraw/zinc/60/32/09/571603209.db2.gz UDVLJOHQJUTRBO-UAWDSHSBSA-N 0 0 578.617 6.391 50 30 biogenic KKEARN C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccc(OC)c1OC)C3=O ZINC000218067414 571603255 /nfs/dbraw/zinc/60/32/55/571603255.db2.gz RPRNFROWKKRXAS-LPGPRXSPSA-N 0 0 528.557 5.725 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OCc5cccnc5)c3)CC(=O)O4)C2=O)c1OC ZINC000218106224 571603528 /nfs/dbraw/zinc/60/35/28/571603528.db2.gz CLDORPPYBWIPKV-XPQMWKTPSA-N 0 0 535.552 5.735 50 30 biogenic KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000220957995 571604179 /nfs/dbraw/zinc/60/41/79/571604179.db2.gz HVEGVCWVFSYFTE-NDENLUEZSA-N 0 0 548.831 6.768 50 30 KKEARN C[C@@H]1CC(=O)C=C2CC[C@H]3[C@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@@H]7CC[C@]56C)[C@@]4(C)CC[C@H]3[C@@]21C ZINC000261490468 572109031 /nfs/dbraw/zinc/10/90/31/572109031.db2.gz SUDAZYBPONYEQT-QEBCDOCYSA-N 0 0 596.900 9.339 50 30 KKEARN C=CCc1c2c(ccc1O)n(CCn1c(C)c(C(=O)OCC)c3c1ccc(O)c3CC=C)c(C)c2C(=O)OCC ZINC000261490815 572109707 /nfs/dbraw/zinc/10/97/07/572109707.db2.gz FKDGRFNDVSYPIP-UHFFFAOYSA-N 0 0 544.648 6.135 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000261491498 572110136 /nfs/dbraw/zinc/11/01/36/572110136.db2.gz DQPCPQZODDMFNF-UHFFFAOYSA-N 0 0 503.686 5.323 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@@H](C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]23C)C2=CCOC2=O)OC1=O ZINC000261492347 572110508 /nfs/dbraw/zinc/11/05/08/572110508.db2.gz WQHWOZANSOUSAY-BBYYPSKXSA-N 0 0 664.880 5.368 50 30 in-vitro KKEARN CCCCCCCCCCCCCCCCn1c(N=NCc2cc(Br)c(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2C ZINC000261493128 572111339 /nfs/dbraw/zinc/11/13/39/572111339.db2.gz HYGCZZNZCPHEOP-RUMWWMSVSA-N 0 0 633.632 7.240 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000263585085 572116507 /nfs/dbraw/zinc/11/65/07/572116507.db2.gz DXSPEPKHQCMJID-YZYFAYFQSA-N 0 0 521.569 5.723 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cc5cc(OC)ccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000263585116 572117062 /nfs/dbraw/zinc/11/70/62/572117062.db2.gz FGXVIBQRKDVLFF-MWQQKMCLSA-N 0 0 551.595 5.732 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cc5cc(OC)ccc5n(CC(C)C)c3=O)CC(=O)O4)C2=O)cc1 ZINC000263585117 572117065 /nfs/dbraw/zinc/11/70/65/572117065.db2.gz FGXVIBQRKDVLFF-WEPCQLIISA-N 0 0 551.595 5.732 50 30 KKEARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc(OC)c(OC)c3OC)C5=O)c(=O)[nH]c2c1 ZINC000263585418 572118066 /nfs/dbraw/zinc/11/80/66/572118066.db2.gz IIEZQXFIKAONHK-HRGKPLJHSA-N 0 0 555.539 5.032 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OCc5cccnc5)c3)CC(=O)O4)C2=O)cc1 ZINC000263586093 572121749 /nfs/dbraw/zinc/12/17/49/572121749.db2.gz PYFNTDJRJMDQKQ-UNHONTDTSA-N 0 0 533.536 5.504 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@@H](c3cc5ccc(OC)cc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586579 572124278 /nfs/dbraw/zinc/12/42/78/572124278.db2.gz VXLHQCWXPOGDNK-GMHBOUQGSA-N 0 0 548.551 5.507 50 30 KKEARN COc1ccc(C(=O)Nc2cccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)c2)cc1OC ZINC000263586691 572124777 /nfs/dbraw/zinc/12/47/77/572124777.db2.gz WXUWTKADVOBMPU-UHFFFAOYSA-N 0 0 595.446 5.168 50 30 KKEARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000226074090 572127353 /nfs/dbraw/zinc/12/73/53/572127353.db2.gz CHVZIVSVLWSTOX-HKBQPEDESA-N 0 0 500.646 7.260 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1 ZINC000226073939 572127422 /nfs/dbraw/zinc/12/74/22/572127422.db2.gz RGFKHWGSRVKPLN-HEIROHQZSA-N 0 0 514.673 7.392 50 30 KKEARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc21 ZINC000226074623 572127736 /nfs/dbraw/zinc/12/77/36/572127736.db2.gz KISYEEDMAYYTIK-QFIPXVFZSA-N 0 0 536.760 7.952 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000227069097 572149082 /nfs/dbraw/zinc/14/90/82/572149082.db2.gz XSNYUNULXNPZAW-DCMFLLSESA-N 0 0 556.703 7.266 50 30 KKEARN CCc1c2[nH]c(c1CC)C=CC1=NC(=C=C=C=C=c3[nH]c(c(CC)c3CC)=CC=C3N=C(C#CC#C2)C(CC)=C3CC)C(CC)=C1CC ZINC000367811017 572155404 /nfs/dbraw/zinc/15/54/04/572155404.db2.gz HRNHDEUQIFYLJO-UHFFFAOYSA-N 0 0 630.880 8.210 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000229852813 572161048 /nfs/dbraw/zinc/16/10/48/572161048.db2.gz ZWZFGQHGSRWQTE-MWGIVGCISA-N 0 0 539.035 6.435 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000229892575 572165991 /nfs/dbraw/zinc/16/59/91/572165991.db2.gz HYBLWDOQGXPVGZ-YKKMPQLRSA-N 0 0 562.851 5.918 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(Br)c1O ZINC000229948864 572173009 /nfs/dbraw/zinc/17/30/09/572173009.db2.gz GCONIFSZUBVXGN-AGTLBBOYSA-N 0 0 586.454 5.386 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229968034 572174505 /nfs/dbraw/zinc/17/45/05/572174505.db2.gz WXFRTQLZBGAHCD-YTFSRNRJSA-N 0 0 524.429 5.856 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000229968594 572175416 /nfs/dbraw/zinc/17/54/16/572175416.db2.gz ZEKGEUXQBBSNIS-YTFSRNRJSA-N 0 0 534.981 5.111 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000230033351 572180553 /nfs/dbraw/zinc/18/05/53/572180553.db2.gz ICEAWUPVSUAFDB-NIJXNBFTSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000230033119 572180724 /nfs/dbraw/zinc/18/07/24/572180724.db2.gz IOLVEWWKWXAFOF-NQHRYMMQSA-N 0 0 605.644 5.323 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000230077157 572182716 /nfs/dbraw/zinc/18/27/16/572182716.db2.gz QWNWUENDWKKSML-ZJSPYRCASA-N 0 0 543.406 5.371 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)c(Br)c3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000230198029 572184936 /nfs/dbraw/zinc/18/49/36/572184936.db2.gz XFUYSTGEOAJZDY-VJGNERBWSA-N 0 0 540.417 5.751 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000239377513 572194152 /nfs/dbraw/zinc/19/41/52/572194152.db2.gz OBFXFIRRJYJXQD-ANISQACQSA-N 0 0 555.803 8.335 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000239433340 572195947 /nfs/dbraw/zinc/19/59/47/572195947.db2.gz XNUIOMJMFRIAHR-FNKBUZRESA-N 0 0 529.636 6.418 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000245224481 572202360 /nfs/dbraw/zinc/20/23/60/572202360.db2.gz XCSZRHBSQLYKOK-HJEFZAFNSA-N 0 0 842.136 8.707 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(OC)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc(OC)c1 ZINC000245228783 572205797 /nfs/dbraw/zinc/20/57/97/572205797.db2.gz FNECHBRPZNHWQK-DIKHQHBXSA-N 0 0 589.688 6.435 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(Br)c1 ZINC000245229170 572206325 /nfs/dbraw/zinc/20/63/25/572206325.db2.gz PLGZMGHIWPEILR-RDCWZDOOSA-N 0 0 687.428 7.943 50 30 KKEARN N#C[C@@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccccc2)[C@@H]2C=Cc3cc(I)ccc3N12 ZINC000245238615 572212395 /nfs/dbraw/zinc/21/23/95/572212395.db2.gz WMKOBBDOOLIQTJ-DPRQWMOBSA-N 0 0 527.365 5.575 50 30 KKEARN CCOC(=O)/C(=c1/cc2c(c3ccccc31)=N[C@]13CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)N23)[N+](=O)[O-] ZINC000245247537 572220889 /nfs/dbraw/zinc/22/08/89/572220889.db2.gz VBEWRQSREMKTAH-GAXDXODGSA-N 0 0 557.650 5.952 50 30 KKEARN C=CCSC1=N[C@H](c2ccc(OC)cc2)[C@@H]2C[C@H](C)C[C@@H]3[C@H](c4ccc(OC)cc4)c4ccc(O)c(O)c4O[C@@]32N1 ZINC000245255471 572222002 /nfs/dbraw/zinc/22/20/02/572222002.db2.gz IOTDTFACAVPCSM-FAFQIJOGSA-N 0 0 572.727 6.618 50 30 KKEARN COc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1OC ZINC000245309970 572227594 /nfs/dbraw/zinc/22/75/94/572227594.db2.gz GMRFUVVWFGGPMV-MSVKWORNSA-N 0 0 519.645 6.016 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@]2(c3ccc(Cl)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000247859937 572246584 /nfs/dbraw/zinc/24/65/84/572246584.db2.gz ZKTGFBFBWWLPCC-BJKAILTGSA-N 0 0 554.046 5.228 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000247909007 572249304 /nfs/dbraw/zinc/24/93/04/572249304.db2.gz JJWNXUCDOBOYGK-LBTFLBGMSA-N 0 0 612.682 6.250 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)cc1 ZINC000248177525 572256462 /nfs/dbraw/zinc/25/64/62/572256462.db2.gz BCYPQFYUIWGDKQ-LCQQBMRFSA-N 0 0 573.443 5.400 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]12 ZINC000248257428 572257330 /nfs/dbraw/zinc/25/73/30/572257330.db2.gz LECFLFJCNVVCCI-KXXGDKEWSA-N 0 0 590.761 9.322 50 30 KKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(C#Cc4ccccc4)=C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248269064 572257642 /nfs/dbraw/zinc/25/76/42/572257642.db2.gz PMNWQMFNSCUROW-ZMLNRSRISA-N 0 0 590.892 10.531 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C/C=C1/CCC[C@]2(C)C[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H]12 ZINC000248274636 572257723 /nfs/dbraw/zinc/25/77/23/572257723.db2.gz RNSFJPLUMBHVCW-QWXBMBRBSA-N 0 0 590.761 9.322 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@@H]32)cc1 ZINC000248274579 572257755 /nfs/dbraw/zinc/25/77/55/572257755.db2.gz RLUWEDUUYKGLSD-SJBMPIJESA-N 0 0 543.701 6.219 50 30 KKEARN CCCCOc1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000249997332 572258963 /nfs/dbraw/zinc/25/89/63/572258963.db2.gz GQGVKFIPCCLTOB-JCIQFFJQSA-N 0 0 562.791 9.334 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O ZINC000250814876 572259212 /nfs/dbraw/zinc/25/92/12/572259212.db2.gz IQLBKMQSMVEUHD-IXYVTWBDSA-N 0 0 571.752 5.140 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000250814870 572259232 /nfs/dbraw/zinc/25/92/32/572259232.db2.gz IQLBKMQSMVEUHD-ABVIYVDXSA-N 0 0 571.752 5.140 50 30 KKEARN Cc1c(Cl)cccc1-c1ccc(C=Nn2cnnc2N=NCc2ccc(-c3cccc(Cl)c3C)o2)o1 ZINC000250894091 572259306 /nfs/dbraw/zinc/25/93/06/572259306.db2.gz SBVFDNQFQUAOMN-UHFFFAOYSA-N 0 0 519.392 7.050 50 30 KKEARN C[C@@H]1CCC[C@H](N2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)[C@H]1C ZINC000252383390 572260237 /nfs/dbraw/zinc/26/02/37/572260237.db2.gz VCISHJJEVWFBJA-HZEBIZPDSA-N 0 0 544.536 6.046 50 30 KKEARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3c(F)cccc3Cl)C5=O)c(=O)[nH]c2c1 ZINC000252494175 572261749 /nfs/dbraw/zinc/26/17/49/572261749.db2.gz NNBKHXOLFJLVRV-BRUSPLQXSA-N 0 0 517.896 5.799 50 30 KKEARN C=CCOc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)[C@]2(O)C(F)(F)F)cc1 ZINC000252515901 572262078 /nfs/dbraw/zinc/26/20/78/572262078.db2.gz OJSSTAMJXQUXKD-YMPZKCBVSA-N 0 0 543.325 5.311 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(I)c(OC)c(I)c2)SC1=Nc1ccccc1 ZINC000252619946 572269281 /nfs/dbraw/zinc/26/92/81/572269281.db2.gz LUTMLALJKNZBIP-MJEQIIAOSA-N 0 0 620.250 5.155 50 30 KKEARN Clc1ccc(N=Cc2ccc(C=Nc3ccc(Cl)c(-c4nc5ccccc5o4)c3)cc2)cc1-c1nc2ccccc2o1 ZINC000252588512 572266386 /nfs/dbraw/zinc/26/63/86/572266386.db2.gz ACGQFOOSUMJILD-UHFFFAOYSA-N 0 0 587.466 10.111 50 30 KKEARN CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000252588396 572266415 /nfs/dbraw/zinc/26/64/15/572266415.db2.gz ABYDHYOKWNFNCQ-SKYIDQJDSA-N 0 0 505.434 5.879 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CC1SC(=Nc3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000252589812 572266517 /nfs/dbraw/zinc/26/65/17/572266517.db2.gz ANHLWNDKAQKCPB-QFIPXVFZSA-N 0 0 533.675 5.969 50 30 KKEARN CN(C)c1ccc(C=NN=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)c(O)c1 ZINC000252590692 572266680 /nfs/dbraw/zinc/26/66/80/572266680.db2.gz AUUYACATBKNECZ-UHFFFAOYSA-N 0 0 518.646 6.862 50 30 KKEARN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000252594174 572266799 /nfs/dbraw/zinc/26/67/99/572266799.db2.gz BQAYODMVPLINRW-AZVDNEJFSA-N 0 0 506.671 8.281 50 30 KKEARN Cc1cccc(OCCOc2ccc(Cl)cc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c1 ZINC000252593564 572266806 /nfs/dbraw/zinc/26/68/06/572266806.db2.gz BKYYQDVPUMXATN-UHFFFAOYSA-N 0 0 521.065 5.543 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252593434 572266813 /nfs/dbraw/zinc/26/68/13/572266813.db2.gz BJTAOLKREWHHNU-OMJWMAEISA-N 0 0 585.773 9.314 50 30 KKEARN CCCN(CCC)c1ccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000252595314 572266903 /nfs/dbraw/zinc/26/69/03/572266903.db2.gz BZHPIBMWOPCITI-VWDIWLDESA-N 0 0 511.735 8.355 50 30 KKEARN O=C(NCc1ccccc1)c1c(N=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 ZINC000252595348 572266947 /nfs/dbraw/zinc/26/69/47/572266947.db2.gz BZVJZHNFYVEXLJ-UHFFFAOYSA-N 0 0 508.565 7.586 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252595712 572267024 /nfs/dbraw/zinc/26/70/24/572267024.db2.gz CCZPERFJHLSTTP-NZWDEPGOSA-N 0 0 507.590 7.226 50 30 KKEARN CCCCCOc1ccc(C(C)=NN=Cc2nccn2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000252596304 572267046 /nfs/dbraw/zinc/26/70/46/572267046.db2.gz CIDKFCFCAFQACN-UHFFFAOYSA-N 0 0 508.535 5.169 50 30 KKEARN CN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=Nc1ccc(Br)cc1 ZINC000252596744 572267050 /nfs/dbraw/zinc/26/70/50/572267050.db2.gz CMHOAWPOSSWDKR-AHLKSMJESA-N 0 0 502.437 6.686 50 30 KKEARN S=C1N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1cc(Cl)cc(Cl)c1 ZINC000252597761 572267146 /nfs/dbraw/zinc/26/71/46/572267146.db2.gz CVDYRBAGMUSNNK-UHFFFAOYSA-N 0 0 501.442 8.065 50 30 KKEARN COC(=O)[C@@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)C(=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C3)C2 ZINC000252599962 572267290 /nfs/dbraw/zinc/26/72/90/572267290.db2.gz DNRXLIQRMGPRKP-CLJLJLNGSA-N 0 0 512.563 5.346 50 30 KKEARN Clc1ccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)cc1 ZINC000252600927 572267378 /nfs/dbraw/zinc/26/73/78/572267378.db2.gz DVZJSWPBWZBGKJ-UHFFFAOYSA-N 0 0 559.118 5.985 50 30 KKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000252603249 572267514 /nfs/dbraw/zinc/26/75/14/572267514.db2.gz FPGBABLMZXQHHS-UHFFFAOYSA-N 0 0 510.462 6.863 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000252602475 572267539 /nfs/dbraw/zinc/26/75/39/572267539.db2.gz FIYUVIPDEYPKFP-JHCAPHELSA-N 0 0 512.609 6.265 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252603944 572267646 /nfs/dbraw/zinc/26/76/46/572267646.db2.gz FVHPJEAQJPNWFA-NBIRMSOCSA-N 0 0 535.463 7.111 50 30 KKEARN CCN1c2ccc([N+](=O)[O-])cc2/C(=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)C1=O ZINC000252603672 572267679 /nfs/dbraw/zinc/26/76/79/572267679.db2.gz FSWZOJKAHMNHFN-USMCDATPSA-N 0 0 526.618 6.374 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000252604876 572267788 /nfs/dbraw/zinc/26/77/88/572267788.db2.gz GEUMELVAOWRASQ-AUPMCDJLSA-N 0 0 674.604 8.921 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccccc1C ZINC000252607653 572267892 /nfs/dbraw/zinc/26/78/92/572267892.db2.gz HDLWSMYJDIXNON-UHFFFAOYSA-N 0 0 522.701 5.918 50 30 KKEARN Cc1ccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)cc1 ZINC000252607651 572267947 /nfs/dbraw/zinc/26/79/47/572267947.db2.gz HDKZOFQVCFGAME-UHFFFAOYSA-N 0 0 538.700 5.640 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1O ZINC000252606998 572267974 /nfs/dbraw/zinc/26/79/74/572267974.db2.gz GXHRZGPZEQZYCF-JINVPOKMSA-N 0 0 566.315 6.863 50 30 KKEARN CC(=O)ON=C1CC(C)(C)Cc2nc3c(c(-c4ccc(Br)cc4)c21)C(=NOC(C)=O)CC(C)(C)C3 ZINC000252609039 572268058 /nfs/dbraw/zinc/26/80/58/572268058.db2.gz HPPHGSSLPXHKSQ-UHFFFAOYSA-N 0 0 540.458 5.990 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=Nc1ccccc1 ZINC000252608836 572268074 /nfs/dbraw/zinc/26/80/74/572268074.db2.gz HNVUTIWVMYNGHE-LPRHKUKJSA-N 0 0 501.608 5.263 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1OCC ZINC000252612050 572268265 /nfs/dbraw/zinc/26/82/65/572268265.db2.gz IPJACSGAAXRTFI-UHFFFAOYSA-N 0 0 636.595 5.866 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)nc(NCc3ccco3)n2)cc1 ZINC000252611729 572268309 /nfs/dbraw/zinc/26/83/09/572268309.db2.gz IMKBZSNSUYDZAO-UHFFFAOYSA-N 0 0 613.509 7.585 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000252614209 572268557 /nfs/dbraw/zinc/26/85/57/572268557.db2.gz JGXOSKWEAICRFJ-UHFFFAOYSA-N 0 0 756.714 8.270 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252614407 572268590 /nfs/dbraw/zinc/26/85/90/572268590.db2.gz JIUCMOFQPPNNPR-XFUAGYMXSA-N 0 0 519.000 6.302 50 30 KKEARN Cc1c(N=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000252615654 572268760 /nfs/dbraw/zinc/26/87/60/572268760.db2.gz JUGXUYDDFBGHJH-HKBQPEDESA-N 0 0 511.625 7.131 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(C=Nc3ccc(-c4nc5ccccc5o4)cc3)cc2Br)c([N+](=O)[O-])c1 ZINC000252617118 572268828 /nfs/dbraw/zinc/26/88/28/572268828.db2.gz KMQVSVSGDMMLFQ-UHFFFAOYSA-N 0 0 559.332 7.617 50 30 KKEARN O=C(Oc1ccc(C=Nc2ccc(I)cc2)cc1)c1ccccc1C(=O)Oc1ccc(C=Nc2ccc(I)cc2)cc1 ZINC000252616746 572268838 /nfs/dbraw/zinc/26/88/38/572268838.db2.gz KERISHWOBKSYQU-UHFFFAOYSA-N 0 0 776.368 8.835 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3c4ccccc4cc4ccccc43)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252616952 572268847 /nfs/dbraw/zinc/26/88/47/572268847.db2.gz KJLJQHYWPMYJPY-SHNZWMLWSA-N 0 0 512.678 8.926 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252616830 572268881 /nfs/dbraw/zinc/26/88/81/572268881.db2.gz KGINEOIYRWLNPD-UHFFFAOYSA-N 0 0 546.465 6.184 50 30 KKEARN COc1cccc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O ZINC000252617534 572268983 /nfs/dbraw/zinc/26/89/83/572268983.db2.gz KVCHMSCGXIOFED-UHFFFAOYSA-N 0 0 504.711 6.218 50 30 KKEARN CCOC(=O)COc1cc(Br)c(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1OC ZINC000252618820 572269145 /nfs/dbraw/zinc/26/91/45/572269145.db2.gz LJYBEPQALDWCQP-OFKKFAHRSA-N 0 0 634.552 6.728 50 30 KKEARN N#Cc1ccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)N(C4CCCC4)C3=O)c3ccccc32)cc1 ZINC000252619970 572269229 /nfs/dbraw/zinc/26/92/29/572269229.db2.gz LVDVROSDUPQKLX-SQMBILOSSA-N 0 0 502.643 7.108 50 30 KKEARN NC(=O)Cn1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCCC3)C2=O)c2cc(Br)ccc21 ZINC000252620275 572269353 /nfs/dbraw/zinc/26/93/53/572269353.db2.gz MASXJRSBFOFEOT-LJFGQLSESA-N 0 0 551.510 6.216 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cc(Br)c(OC)cc3OC)C(=O)N2CC(C)C)cc1 ZINC000252620287 572269382 /nfs/dbraw/zinc/26/93/82/572269382.db2.gz MBDPTVUSYGNOJB-VCCKERMRSA-N 0 0 505.434 5.735 50 30 KKEARN Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000252620865 572269471 /nfs/dbraw/zinc/26/94/71/572269471.db2.gz MNXIPVHWKILTOE-SFTYYZIJSA-N 0 0 516.670 7.416 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(C)cc1 ZINC000252620995 572269473 /nfs/dbraw/zinc/26/94/73/572269473.db2.gz MQLSBFZZFVJDOI-DVWQPEECSA-N 0 0 527.715 7.471 50 30 KKEARN CCOc1ccc(N=C2S/C(=C/c3cn(Cc4ccccc4)c4ccc(Br)cc34)C(=O)N2C2CCCCC2)cc1 ZINC000252622148 572269625 /nfs/dbraw/zinc/26/96/25/572269625.db2.gz NPURKHRYDQWAKJ-PZSNVVMYSA-N 0 0 614.609 8.788 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc(Br)c1O ZINC000252621662 572269643 /nfs/dbraw/zinc/26/96/43/572269643.db2.gz NEBBVRCWPHVIIE-HSAHHWRSSA-N 0 0 551.506 7.487 50 30 KKEARN O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252621993 572269681 /nfs/dbraw/zinc/26/96/81/572269681.db2.gz NMCAHAWBSXQRNK-SGUXJERISA-N 0 0 531.464 8.381 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC ZINC000252622443 572269758 /nfs/dbraw/zinc/26/97/58/572269758.db2.gz NVKMMELNJKPXDD-OHINCFKLSA-N 0 0 579.560 8.289 50 30 KKEARN C(=NNC(=Nc1ccccn1)c1ccccn1)c1ccc2ccc3ccc(C=NNC(=Nc4ccccn4)c4ccccn4)nc3c2n1 ZINC000252622458 572269804 /nfs/dbraw/zinc/26/98/04/572269804.db2.gz NVUKUAIIGPDYCL-UHFFFAOYSA-N 0 0 626.688 6.149 50 30 KKEARN Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000252623742 572269971 /nfs/dbraw/zinc/26/99/71/572269971.db2.gz OYGCBUVMHQAUPY-PZEJQKTLSA-N 0 0 606.729 8.551 50 30 KKEARN CCOc1ccc(N=C2S/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)N2C)cc1 ZINC000252623277 572270006 /nfs/dbraw/zinc/27/00/06/572270006.db2.gz ONSPQCWGTIZQHD-ZNVFLBMQSA-N 0 0 514.607 5.183 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc(Br)c1OCC ZINC000252623841 572270102 /nfs/dbraw/zinc/27/01/02/572270102.db2.gz PALADLXIJQVTKU-LJVHWXJXSA-N 0 0 505.434 5.497 50 30 KKEARN Oc1ccc(I)cc1C=Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000252624082 572270126 /nfs/dbraw/zinc/27/01/26/572270126.db2.gz PFTYUNFMMGXGKB-UHFFFAOYSA-N 0 0 581.298 7.412 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1 ZINC000252623874 572270157 /nfs/dbraw/zinc/27/01/57/572270157.db2.gz PBGZUUTXFBEGGS-UHFFFAOYSA-N 0 0 515.662 5.276 50 30 KKEARN Cc1cc(C)cc(N=C2S/C(=C3/C(=O)Nc4ccc(I)cc43)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000252624413 572270168 /nfs/dbraw/zinc/27/01/68/572270168.db2.gz PNMHIPSWVYBXAM-YHHGTVKKSA-N 0 0 579.463 6.656 50 30 KKEARN COc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]23)c1 ZINC000252624118 572270172 /nfs/dbraw/zinc/27/01/72/572270172.db2.gz PGSPKWPDQBXCGQ-QNSWFFGHSA-N 0 0 534.615 6.802 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)N1CCOCC1 ZINC000252625843 572270577 /nfs/dbraw/zinc/27/05/77/572270577.db2.gz QQEJGVWOMTYNRP-UHFFFAOYSA-N 0 0 508.581 5.166 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000252626086 572270582 /nfs/dbraw/zinc/27/05/82/572270582.db2.gz QVXRNWPQGAKLLX-VWDIWLDESA-N 0 0 520.654 7.469 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000252626601 572270673 /nfs/dbraw/zinc/27/06/73/572270673.db2.gz RBVUIWVCLSYSBF-OVJUEERBSA-N 0 0 544.642 7.589 50 30 KKEARN BrC(=CC=Nc1ccc(-c2nc3cc(N=CC=C(Br)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1 ZINC000252627533 572270767 /nfs/dbraw/zinc/27/07/67/572270767.db2.gz RWKXMVREAJZDII-BHLMDJLESA-N 0 0 610.353 9.507 50 30 KKEARN Clc1ccc(COc2c(Br)cc(Br)cc2C=Nc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000252627980 572270793 /nfs/dbraw/zinc/27/07/93/572270793.db2.gz SFJTYTQGXCSMOP-UHFFFAOYSA-N 0 0 554.069 7.724 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000252627916 572270808 /nfs/dbraw/zinc/27/08/08/572270808.db2.gz SDXZYZYKKTWHPP-CFBIEYFUSA-N 0 0 693.434 9.122 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O ZINC000252628072 572270888 /nfs/dbraw/zinc/27/08/88/572270888.db2.gz SHNJHVJBTCUXAV-JGEWFJSUSA-N 0 0 551.506 7.596 50 30 KKEARN Oc1ccccc1C=Nc1ccc2[nH]c(-c3ccc(-c4nc5cc(N=Cc6ccccc6O)ccc5[nH]4)cc3)nc2c1 ZINC000252628299 572270917 /nfs/dbraw/zinc/27/09/17/572270917.db2.gz SNDFAYYOGSFCBU-UHFFFAOYSA-N 0 0 548.606 7.686 50 30 KKEARN Cc1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000252628727 572271049 /nfs/dbraw/zinc/27/10/49/572271049.db2.gz SWJAAOZWCYMVIO-UHFFFAOYSA-N 0 0 512.094 7.640 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1CC ZINC000252628821 572271050 /nfs/dbraw/zinc/27/10/50/572271050.db2.gz SYNPXLVISFGRJW-GSMVLFLISA-N 0 0 501.564 6.257 50 30 KKEARN Cc1c(N=Cc2cc(Br)ccc2OCCOc2cccc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000252629590 572271128 /nfs/dbraw/zinc/27/11/28/572271128.db2.gz UJOJOBRAPPDDTI-UHFFFAOYSA-N 0 0 520.427 5.764 50 30 KKEARN C=CCSc1nc2c(c(-c3cccc(Br)c3)c1C#N)C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C ZINC000252629533 572271177 /nfs/dbraw/zinc/27/11/77/572271177.db2.gz UIKRSYWMJIYBBH-UPZUIQNOSA-N 0 0 561.633 9.107 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000252630178 572271239 /nfs/dbraw/zinc/27/12/39/572271239.db2.gz UWPABDBSYCOIIQ-JHCAPHELSA-N 0 0 512.609 6.211 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)C(=O)N2CC)cc1 ZINC000252629998 572271275 /nfs/dbraw/zinc/27/12/75/572271275.db2.gz URYSCBRSRFOFCT-YLILVDPWSA-N 0 0 541.648 6.938 50 30 KKEARN Cc1ccc(C)c(OCCn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)c1 ZINC000252630203 572271345 /nfs/dbraw/zinc/27/13/45/572271345.db2.gz UWXXXVXUYKQBMU-UHFFFAOYSA-N 0 0 524.673 5.169 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000252632004 572271489 /nfs/dbraw/zinc/27/14/89/572271489.db2.gz VNXKHBMWXWIFLO-PSBWXVDBSA-N 0 0 513.666 8.115 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1ccc(F)cc1 ZINC000252634343 572271721 /nfs/dbraw/zinc/27/17/21/572271721.db2.gz WMNJDMCCYIWTOD-UHFFFAOYSA-N 0 0 584.494 5.397 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/Sc3c(ccc4ccccc34)N2CC)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252636922 572271998 /nfs/dbraw/zinc/27/19/98/572271998.db2.gz XNOXXGDDWSXNBR-NZDGJRFZSA-N 0 0 559.760 8.951 50 30 KKEARN Brc1ccc(-c2ccc(C=Nc3ccc4oc(-c5cccc(I)c5)nc4c3)o2)cc1 ZINC000252637645 572272000 /nfs/dbraw/zinc/27/20/00/572272000.db2.gz XVBDSCHPYNOSKM-UHFFFAOYSA-N 0 0 569.196 7.873 50 30 KKEARN Cc1c(OC(=O)c2ccccc2I)ccc2c1CCCC2=NOC(=O)c1ccccc1I ZINC000252640275 572272203 /nfs/dbraw/zinc/27/22/03/572272203.db2.gz YSMUUTYAVNSVNI-UHFFFAOYSA-N 0 0 651.238 6.321 50 30 KKEARN Cc1cccc(C)c1N=C1N(C(=O)Oc2ccccc2)C(=S)N(c2ccccc2Cl)C12CCCCC2 ZINC000252640016 572272245 /nfs/dbraw/zinc/27/22/45/572272245.db2.gz YPMDKYCUDUSFSX-UHFFFAOYSA-N 0 0 518.082 7.996 50 30 KKEARN C(=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000252640428 572272247 /nfs/dbraw/zinc/27/22/47/572272247.db2.gz YTQJDHXUIDAWHI-UHFFFAOYSA-N 0 0 559.698 9.397 50 30 KKEARN Cc1ccc2nc(-c3ccc(Br)c(N=Cc4cc5c(cc4Br)OCO5)c3)oc2c1 ZINC000252640274 572272253 /nfs/dbraw/zinc/27/22/53/572272253.db2.gz YSMNMVJFUGQIBI-UHFFFAOYSA-N 0 0 514.173 6.808 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)SC1=Nc1ccc(Br)c(Cl)c1 ZINC000252641480 572272347 /nfs/dbraw/zinc/27/23/47/572272347.db2.gz ZDBSBXJESCPMEO-XRHRNTJKSA-N 0 0 630.948 6.761 50 30 KKEARN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccco4)C3=O)o2)c(Br)c1 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CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000252668525 572274089 /nfs/dbraw/zinc/27/40/89/572274089.db2.gz FGXHOSIEWBJTTK-BHVANESWSA-N 0 0 666.828 6.532 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252668493 572274114 /nfs/dbraw/zinc/27/41/14/572274114.db2.gz FEPHHBOLXIRNAZ-LDLOPFEMSA-N 0 0 707.808 6.557 50 30 KKEARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252669071 572274559 /nfs/dbraw/zinc/27/45/59/572274559.db2.gz GKLKWQAQBYCWCJ-HHHXNRCGSA-N 0 0 632.714 5.222 50 30 KKEARN C=CCOc1c(Br)cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000252669859 572275349 /nfs/dbraw/zinc/27/53/49/572275349.db2.gz IVTACEYAUFNDHX-HHHXNRCGSA-N 0 0 698.433 6.050 50 30 KKEARN C=CCOc1c(Br)cc(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000252670869 572276372 /nfs/dbraw/zinc/27/63/72/572276372.db2.gz 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C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NCCc5cc6ccccc6[nH]5)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000252679382 572281328 /nfs/dbraw/zinc/28/13/28/572281328.db2.gz LOMKDBOLEIVYSN-GNBUDUDOSA-N 0 0 503.687 5.523 50 30 KKEARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000252679498 572281478 /nfs/dbraw/zinc/28/14/78/572281478.db2.gz NJLBVNFDQAWROZ-JGGSFHDDSA-N 0 0 542.761 6.844 50 30 KKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000252694928 572281842 /nfs/dbraw/zinc/28/18/42/572281842.db2.gz RYUZWKQPBYZZGG-MFEQFSHHSA-N 0 0 530.709 6.051 50 30 KKEARN CC(C)(C)C(=O)OC[C@@H]1O[C@H](/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000253388640 572283022 /nfs/dbraw/zinc/28/30/22/572283022.db2.gz OZQTUWNTLXDEJB-ZSBYFBTKSA-N 0 0 648.750 5.202 50 30 KKEARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000253389860 572283451 /nfs/dbraw/zinc/28/34/51/572283451.db2.gz VLQMFHYQHHSICN-UNFRKHOWSA-N 0 0 595.449 5.030 50 30 KKEARN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000253389861 572283478 /nfs/dbraw/zinc/28/34/78/572283478.db2.gz VLQMFHYQHHSICN-WXIAYYLYSA-N 0 0 595.449 5.030 50 30 KKEARN COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccco3)C5=O)cc2OC)cc1 ZINC000253398397 572284444 /nfs/dbraw/zinc/28/44/44/572284444.db2.gz CCYKMLQHXXHLAT-WVVPCBRLSA-N 0 0 538.552 5.976 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](C3=Cc5ccccc5OC3)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253406892 572286493 /nfs/dbraw/zinc/28/64/93/572286493.db2.gz JJVSDUQOSRRODQ-PMIGXTIBSA-N 0 0 512.514 5.197 50 30 KKEARN COc1ccc(CCOc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccccc3)C5=O)ccc2OC)cc1 ZINC000253413826 572288700 /nfs/dbraw/zinc/28/87/00/572288700.db2.gz VUAXCCYKYKEFEF-HGNFKBFPSA-N 0 0 548.591 6.383 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C2 ZINC000253487582 572290679 /nfs/dbraw/zinc/29/06/79/572290679.db2.gz LXHNKNGJUIZBMK-OKCMWTHHSA-N 0 0 591.615 7.337 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000253487961 572291019 /nfs/dbraw/zinc/29/10/19/572291019.db2.gz UNHZVXPJGSIDBW-XDZVQPMWSA-N 0 0 587.857 5.480 50 30 KKEARN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(=S)Nc5ccc(F)cc5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497625 572292132 /nfs/dbraw/zinc/29/21/32/572292132.db2.gz CULLTSOLLUCJLH-AZMIUFCSSA-N 0 0 551.860 9.510 50 30 KKEARN COc1cc(Br)cc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000253498217 572292351 /nfs/dbraw/zinc/29/23/51/572292351.db2.gz TVDJZFBATLLPAM-VGWZWKELSA-N 0 0 518.536 6.746 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)CC5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499297 572293360 /nfs/dbraw/zinc/29/33/60/572293360.db2.gz FAIXXHWUFODNRO-MYLBEOGESA-N 0 0 526.915 10.915 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253499546 572293575 /nfs/dbraw/zinc/29/35/75/572293575.db2.gz JGUZEORGVGLUSD-LMZNWWSVSA-N 0 0 512.863 10.588 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](CC)Oc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253499609 572293742 /nfs/dbraw/zinc/29/37/42/572293742.db2.gz LHYSLMYPHSEIKW-RPORNXIASA-N 0 0 548.852 10.085 50 30 KKEARN C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253500745 572294428 /nfs/dbraw/zinc/29/44/28/572294428.db2.gz TWJCNVOIEMSYGV-RQADUPFNSA-N 0 0 572.878 8.431 50 30 KKEARN CCCCC(=O)OCC(=O)[C@]1(OC(=O)CCCC)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC000253502033 572295244 /nfs/dbraw/zinc/29/52/44/572295244.db2.gz VPPBYLVCVQXCGD-UHCQLPFQSA-N 0 0 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CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)n(CCc3c[nH]cn3)c2=O)cc1 ZINC000604404013 1071268582 /nfs/dbraw/zinc/26/85/82/1071268582.db2.gz IAMJDHHUPNTAFI-RUZDIDTESA-N 0 0 509.647 5.262 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(-c2nc3ccccc3s2)o1 ZINC000604405006 1071271254 /nfs/dbraw/zinc/27/12/54/1071271254.db2.gz UDWVDPBCNXGELL-HYOGTITLSA-N 0 0 687.130 5.059 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)C[C@H]1C ZINC000604405242 1071271707 /nfs/dbraw/zinc/27/17/07/1071271707.db2.gz OJLKJYVLORBCQI-GOXOYUAHSA-N 0 0 523.973 5.004 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)C[C@H]1C ZINC000604405243 1071272573 /nfs/dbraw/zinc/27/25/73/1071272573.db2.gz OJLKJYVLORBCQI-HEVVRDHBSA-N 0 0 523.973 5.004 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCC(=O)Nc2ccc(NC(C)=O)cc2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595864 1071282892 /nfs/dbraw/zinc/28/28/92/1071282892.db2.gz HUEWUCMRFWSMCZ-ZUERQSGRSA-N 0 0 736.174 5.084 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]n1C(C)C)[C@H]2c1cc(OC)c(OC)cc1OC ZINC000824567487 1071283086 /nfs/dbraw/zinc/28/30/86/1071283086.db2.gz UWQLVRCDLIYZLB-QIDSIIOFSA-N 0 0 640.089 5.301 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596104 1071283490 /nfs/dbraw/zinc/28/34/90/1071283490.db2.gz MFKRUWCHPDAXRF-QWYDNCELSA-N 0 0 696.149 5.356 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCNc2ccnc3cc(Cl)ccc32)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596101 1071283778 /nfs/dbraw/zinc/28/37/78/1071283778.db2.gz MAMIQXKNIOZGJX-ADWAARGASA-N 0 0 736.605 6.410 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CCSC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824905712 1071286804 /nfs/dbraw/zinc/28/68/04/1071286804.db2.gz YTUUQMIKOACBMQ-KICBIZMNSA-N 0 0 836.360 5.026 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(OCCc5ccc(OC)cc5)c3)CC(=O)O4)C2=O)cc1 ZINC000217989339 1071293862 /nfs/dbraw/zinc/29/38/62/1071293862.db2.gz LWVGYRHQYYFCAI-IGGWZVJDSA-N 0 0 578.617 6.391 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2OC(C)C)CC(=O)O3)C1=O ZINC000218011777 1071294767 /nfs/dbraw/zinc/29/47/67/1071294767.db2.gz DUHNIXHLLBZBHY-SNWZXBDOSA-N 0 0 516.546 5.557 50 30 biogenic KKEARN CCN1C/C(=C\c2cccc(NC(=O)C(F)(F)F)c2)C(=O)/C(=C/c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000102849964 1071304147 /nfs/dbraw/zinc/30/41/47/1071304147.db2.gz OJUIKKYMVFHLCC-BEQMOXJMSA-N 0 0 525.449 5.060 50 30 KKEARN CC12CC3(C)CC(C)(C1)CC(C(=O)N=C1N=C4C=CC(I)=CN4Cc4ccccc41)(C2)C3 ZINC000886013273 1071315423 /nfs/dbraw/zinc/31/54/23/1071315423.db2.gz HYSMCHCGZYFLQC-UHFFFAOYSA-N 0 0 539.461 6.407 50 30 KKEARN COc1cc(C=Nc2ccc(-c3nc4cc(N=Cc5cc(OC)c(OC)c(OC)c5)ccc4[nH]3)cc2)cc(OC)c1OC ZINC000886016240 1071315869 /nfs/dbraw/zinc/31/58/69/1071315869.db2.gz BMFWWDCLIUAPKN-UHFFFAOYSA-N 0 0 580.641 6.783 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000006172537 1071328067 /nfs/dbraw/zinc/32/80/67/1071328067.db2.gz RZPKJFQZJLUNSL-RZEGEWEPSA-N 0 0 574.688 7.648 50 30 KKEARN COc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000103081761 1071332511 /nfs/dbraw/zinc/33/25/11/1071332511.db2.gz IPECJXMNADMARV-IMKZUMICSA-N 0 0 559.666 7.060 50 30 KKEARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)cc1 ZINC000103104779 1071336034 /nfs/dbraw/zinc/33/60/34/1071336034.db2.gz ZNWDOKTWICARTK-UPTOSOBMSA-N 0 0 551.521 5.287 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC/C1=C/c1ccc(N2NNC=C2c2ccc(Cl)cc2)cc1 ZINC000109754510 1071340386 /nfs/dbraw/zinc/34/03/86/1071340386.db2.gz MIEZCHYZPDTRMV-RIRMOVKSSA-N 0 0 617.540 7.899 50 30 KKEARN Cc1c(Sc2ccc(F)cc2)c2ccccn2c1/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012558512 1072822444 /nfs/dbraw/zinc/82/24/44/1072822444.db2.gz FHENTUJRORYGRS-BXVZCJGGSA-N 0 0 500.620 6.764 50 30 KKEARN Cc1c(Sc2ccc(F)cc2)c2ccccn2c1/C(=N\S(=O)(=O)c1cccs1)c1ccccc1 ZINC000012558781 1072822968 /nfs/dbraw/zinc/82/29/68/1072822968.db2.gz UWUWSVHBIJBQQR-COOPMVRXSA-N 0 0 506.649 6.826 50 30 KKEARN COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000012653160 1072823904 /nfs/dbraw/zinc/82/39/04/1072823904.db2.gz FNVPOEKAGVYYQS-YYTOJMEDSA-N 0 0 517.585 6.033 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C/C(=C/n5cncn5)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000685945435 1072827855 /nfs/dbraw/zinc/82/78/55/1072827855.db2.gz PAVFRJWKENBVOH-WUPALEIKSA-N 0 0 547.784 7.129 50 30 KKEARN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C/C(=C/n5cnnc5)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000685945442 1072827864 /nfs/dbraw/zinc/82/78/64/1072827864.db2.gz QEBIAMOOZPBYEP-UMXUTOLGSA-N 0 0 547.784 7.273 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)c4cccc(S(=O)(=O)N5CCc6ccccc65)c4)sc3C(C)(C)C2)cc1 ZINC000159356940 1072829518 /nfs/dbraw/zinc/82/95/18/1072829518.db2.gz AXCCZMUQXIZLLI-SEYXRHQNSA-N 0 0 693.847 7.343 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=N/N=C3/C(=O)Nc4ccc(Br)cc43)=C2N2CCOCC2)cc1 ZINC000245264334 1072830260 /nfs/dbraw/zinc/83/02/60/1072830260.db2.gz CVMKWEAOBDOCPU-VQCPEGEWSA-N 0 0 562.512 5.486 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=S)Nc3ccc(Cl)cc3)=C2N2CCOCC2)cc1 ZINC000245283956 1072831170 /nfs/dbraw/zinc/83/11/70/1072831170.db2.gz PFIFOYZCQFPFGP-OXGNCJLTSA-N 0 0 524.134 5.922 50 30 KKEARN CCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000245284012 1072831227 /nfs/dbraw/zinc/83/12/27/1072831227.db2.gz PRZAVOWQMAAVJS-HSZRJFAPSA-N 0 0 673.493 7.432 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100558 1072832932 /nfs/dbraw/zinc/83/29/32/1072832932.db2.gz VFOFGHHOROTIDC-KWQFWETISA-N 0 0 639.180 7.517 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097967119 1072836488 /nfs/dbraw/zinc/83/64/88/1072836488.db2.gz XUQFBNBMKPHSRS-JGCGQSQUSA-N 0 0 642.675 9.526 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000097967290 1072836517 /nfs/dbraw/zinc/83/65/17/1072836517.db2.gz DZMVZOXDMQROKA-PMERELPUSA-N 0 0 583.169 9.308 50 30 KKEARN CCOc1ccc(OCCOc2ccc(/C=C\C(=O)c3ccc4c(c3)NC(=O)CO4)cc2OCC)cc1 ZINC000098054023 1072842578 /nfs/dbraw/zinc/84/25/78/1072842578.db2.gz KTCBEWKUPBLUEJ-XGICHPGQSA-N 0 0 503.551 5.169 50 30 KKEARN O=[N+]([O-])c1cccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4cccc([N+](=O)[O-])c4)CC3)=C2N2CCOCC2)c1 ZINC000254289433 1072843874 /nfs/dbraw/zinc/84/38/74/1072843874.db2.gz KWCVZOBZSHUIBN-RPRDQHLTSA-N 0 0 624.698 5.787 50 30 KKEARN O=[N+]([O-])c1cccc(/C=C2\CCC(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)=C2N2CCOCC2)c1 ZINC000254296202 1072845355 /nfs/dbraw/zinc/84/53/55/1072845355.db2.gz ZZRIMNJXBOLOOF-SRJFDTQJSA-N 0 0 564.614 7.038 50 30 KKEARN COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCSC2=Nc2cc(C)ccc2C)c1 ZINC000254405779 1072853904 /nfs/dbraw/zinc/85/39/04/1072853904.db2.gz JIRQTNDVEXILAT-UHFFFAOYSA-N 0 0 599.778 6.974 50 30 KKEARN O=c1c(C=Nc2ccc(OCc3ccccc3)cc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn21 ZINC000254406200 1072854111 /nfs/dbraw/zinc/85/41/11/1072854111.db2.gz FKTUGRKCXGQZKW-UHFFFAOYSA-N 0 0 531.601 5.151 50 30 KKEARN O=[N+]([O-])c1cccc(CN=Nc2ncnc3sc(Sc4ccccc4[N+](=O)[O-])c(-c4ccccc4)c32)c1 ZINC000254482464 1072857309 /nfs/dbraw/zinc/85/73/09/1072857309.db2.gz PRVZNEJFRXLIBB-UHFFFAOYSA-N 0 0 528.575 6.772 50 30 KKEARN COc1cc(C=Nn2c(-c3ccc(C)c(C)c3)csc2=Nc2ccc(F)cc2F)ccc1OCc1ccccc1 ZINC000254483327 1072857381 /nfs/dbraw/zinc/85/73/81/1072857381.db2.gz DSVPVZUGJOVTTN-UHFFFAOYSA-N 0 0 555.650 7.814 50 30 KKEARN Cc1ccc(N=c2scc(-c3ccc(OC(F)F)cc3)n2N=Cc2ccc(OC(F)F)cc2)c(C)c1 ZINC000254520810 1072862166 /nfs/dbraw/zinc/86/21/66/1072862166.db2.gz JPUJLBKIRXKDQP-UHFFFAOYSA-N 0 0 515.532 7.151 50 30 KKEARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCCSC1=Nc1ccc(C(C)=O)cc1 ZINC000254616836 1072867565 /nfs/dbraw/zinc/86/75/65/1072867565.db2.gz MAQNOFAFNQFNCI-UHFFFAOYSA-N 0 0 541.629 5.351 50 30 KKEARN COc1ccc(C=Nn2c(-c3ccccc3F)csc2=Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000254616856 1072867726 /nfs/dbraw/zinc/86/77/26/1072867726.db2.gz GCVYYZXQERYRAB-UHFFFAOYSA-N 0 0 524.643 5.038 50 30 KKEARN Cc1cc(C2(c3ccc(N=Cc4ccc5c(c4)C(C)(C)[C@H](C)N5C)c(C)c3)CCCCC2)ccc1N=Cc1ccc2c(c1)C(C)(C)[C@H](C)N2C ZINC000254702749 1072871535 /nfs/dbraw/zinc/87/15/35/1072871535.db2.gz ZYDTWTXGLBWCNS-LQJZCPKCSA-N 0 0 664.982 11.287 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000254734207 1072873465 /nfs/dbraw/zinc/87/34/65/1072873465.db2.gz FGGPUSWGFTULRS-SROKDOJTSA-N 0 0 586.717 7.922 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3ccc(OC(F)F)cc3)C(=O)N2[C@H](C)CCc2ccccc2)cc1 ZINC000254741097 1072874425 /nfs/dbraw/zinc/87/44/25/1072874425.db2.gz RGDHBGJIKYYLRO-WYBXWTBASA-N 0 0 508.590 6.922 50 30 KKEARN CC(C)N(C(=O)CSc1nc2sc3c(c2c(=O)n1N=Cc1ccc(F)cc1)CCCC3)c1ccccc1 ZINC000254753087 1072876451 /nfs/dbraw/zinc/87/64/51/1072876451.db2.gz VMEYHTPVNNTGLF-UHFFFAOYSA-N 0 0 534.682 5.892 50 30 KKEARN CN(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254761851 1072877398 /nfs/dbraw/zinc/87/73/98/1072877398.db2.gz KBMNDEXYPAHIRQ-UHFFFAOYSA-N 0 0 588.324 8.185 50 30 KKEARN C(=NN=c1[nH]c2ccccc2s1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000254766736 1072878582 /nfs/dbraw/zinc/87/85/82/1072878582.db2.gz QJNLVFSRZGPJAK-KYJUHHDHSA-N 0 0 622.732 6.955 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CON=CC(=O)Nc2ccccc2OC)cc1 ZINC000254799227 1072879939 /nfs/dbraw/zinc/87/99/39/1072879939.db2.gz VYUKXYIOAMMIGW-NDEPHWFRSA-N 0 0 536.588 5.176 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(N=NC3C[C@@H](c4ccccc4)Oc4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000254836751 1072883115 /nfs/dbraw/zinc/88/31/15/1072883115.db2.gz MTOPAWNDVPUHMM-LJAQVGFWSA-N 0 0 542.617 6.352 50 30 KKEARN Cc1nn(CCOC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000254835904 1072883301 /nfs/dbraw/zinc/88/33/01/1072883301.db2.gz JIFFFBRVZAGABG-UHFFFAOYSA-N 0 0 545.577 6.075 50 30 KKEARN O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000254840721 1072883537 /nfs/dbraw/zinc/88/35/37/1072883537.db2.gz GRFDMJSLPLGYNR-UHFFFAOYSA-N 0 0 615.431 6.113 50 30 KKEARN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000254843035 1072884214 /nfs/dbraw/zinc/88/42/14/1072884214.db2.gz UPPIRXWGLQCVOI-UHFFFAOYSA-N 0 0 514.529 6.177 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1cccc2nc3ccccc3nc21 ZINC000254867472 1072886324 /nfs/dbraw/zinc/88/63/24/1072886324.db2.gz IOIQGIGCOJPZFF-UHFFFAOYSA-N 0 0 541.352 5.430 50 30 KKEARN COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)c1 ZINC000254866444 1072886415 /nfs/dbraw/zinc/88/64/15/1072886415.db2.gz JNIYLEQUVSZRCZ-UHFFFAOYSA-N 0 0 613.805 7.481 50 30 KKEARN CC[C@H]1CSC(=Nc2ccc(C(C)=O)cc2)N1C(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000254876751 1072888221 /nfs/dbraw/zinc/88/82/21/1072888221.db2.gz QANFPUXSNVBQKE-NRFANRHFSA-N 0 0 505.621 6.604 50 30 KKEARN C#CCOc1ccccc1C=c1sc2n(c1=O)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000254876067 1072888366 /nfs/dbraw/zinc/88/83/66/1072888366.db2.gz DWYPWEIGISYNGT-WJOKGBTCSA-N 0 0 562.691 5.071 50 30 KKEARN CNc1nc(Nc2ccccc2SC(F)(F)C(F)(F)C(F)(F)F)nc(ON=C2CCCCC2)n1 ZINC000015636084 1072897108 /nfs/dbraw/zinc/89/71/08/1072897108.db2.gz ZEGDWTASCOFZIP-UHFFFAOYSA-N 0 0 512.455 6.238 50 30 KKEARN COc1ccc(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nc3ccccc3c2=O)cc1OC ZINC000018008826 1072897625 /nfs/dbraw/zinc/89/76/25/1072897625.db2.gz BAXVPCAKRAVOQL-PKAZHMFMSA-N 0 0 527.646 5.376 50 30 KKEARN CCCCCCCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 ZINC001529559687 1072925179 /nfs/dbraw/zinc/92/51/79/1072925179.db2.gz SKLBBRQPVZDTNM-BBJSEEFKSA-N 0 0 512.863 10.300 50 30 KKEARN CC1(C)Cc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c(C#N)c(-c3ccccc3)c2C(=O)C1 ZINC000000630284 193858962 /nfs/dbraw/zinc/85/89/62/193858962.db2.gz OGXQLGPLQFCOAF-UHFFFAOYSA-N 0 0 509.553 6.525 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000648501 193865638 /nfs/dbraw/zinc/86/56/38/193865638.db2.gz LCRWNKYCCJQNCD-ACSYHNTCSA-N 0 0 535.637 5.282 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649810 193867639 /nfs/dbraw/zinc/86/76/39/193867639.db2.gz GYNBWMJVDSJYDW-NJHZRGNWSA-N 0 0 567.638 5.595 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000649735 193867661 /nfs/dbraw/zinc/86/76/61/193867661.db2.gz LFZVAWWJVWKVOV-XMMPIXPASA-N 0 0 525.483 6.560 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649618 193867044 /nfs/dbraw/zinc/86/70/44/193867044.db2.gz SWYYJDJAHVUWGP-WHLCRQNOSA-N 0 0 584.507 6.036 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000006197145 193870547 /nfs/dbraw/zinc/87/05/47/193870547.db2.gz DWDQIMUPALQBTA-NGOKVRLYSA-N 0 0 506.042 6.586 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770172 193884092 /nfs/dbraw/zinc/88/40/92/193884092.db2.gz UTTMAJAPPIIIAN-CLYVBNDRSA-N 0 0 516.550 5.171 50 30 KKEARN COc1cc(-c2c(C#N)c(N)nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)ccc1OC(C)C ZINC000019816381 193886948 /nfs/dbraw/zinc/88/69/48/193886948.db2.gz WBRJIWFWFGPOPJ-UHFFFAOYSA-N 0 0 516.667 5.748 50 30 KKEARN C=CCc1cc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000100377808 193909600 /nfs/dbraw/zinc/90/96/00/193909600.db2.gz OVEFQIISRLKBSC-DIBXZPPDSA-N 0 0 576.114 7.590 50 30 KKEARN C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 ZINC000253531298 195474941 /nfs/dbraw/zinc/47/49/41/195474941.db2.gz VIEYZFXQTPXFTM-PVCCRRCHSA-N 0 0 549.708 5.019 50 30 KKEARN COc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1Br ZINC000000637024 551506381 /nfs/dbraw/zinc/50/63/81/551506381.db2.gz LEGYXYGTSAZXAT-UHFFFAOYSA-N 0 0 567.318 6.202 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000000647398 551508399 /nfs/dbraw/zinc/50/83/99/551508399.db2.gz QRMXUSYMBVBOCK-JHOBJCJYSA-N 0 0 529.633 5.858 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000000647421 551508678 /nfs/dbraw/zinc/50/86/78/551508678.db2.gz YTKRRPVCSQNFCK-KMRXNPHXSA-N 0 0 501.623 5.941 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000647812 551508909 /nfs/dbraw/zinc/50/89/09/551508909.db2.gz MIQFOXRQRYVYGK-QFIPXVFZSA-N 0 0 542.426 5.137 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000647946 551509092 /nfs/dbraw/zinc/50/90/92/551509092.db2.gz KZLDKIBKTVDFCM-KCWXNJEJSA-N 0 0 533.690 6.273 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000000647955 551509107 /nfs/dbraw/zinc/50/91/07/551509107.db2.gz QNQQHVYPVODZSA-MZNJEOGPSA-N 0 0 512.400 5.001 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)O[C@H](C)CC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000000648633 551510079 /nfs/dbraw/zinc/51/00/79/551510079.db2.gz UTYBJLHSLRKEDE-KZGIRYNOSA-N 0 0 519.638 5.806 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649023 551510483 /nfs/dbraw/zinc/51/04/83/551510483.db2.gz WWKGGGGURIWANS-MRDQGFSESA-N 0 0 586.479 5.408 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650025 551511705 /nfs/dbraw/zinc/51/17/05/551511705.db2.gz BEWKAZPXRCNMTA-XGCWNURASA-N 0 0 586.479 5.408 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc4c(c1)OCO4)N3)CCCC2 ZINC000000659087 551514514 /nfs/dbraw/zinc/51/45/14/551514514.db2.gz AVMDCHAVJVCKIN-MGPUTAFESA-N 0 0 515.517 5.336 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COC(C)=O ZINC000000659897 551515687 /nfs/dbraw/zinc/51/56/87/551515687.db2.gz CBNFECAHLZFWQD-NGQVCNFZSA-N 0 0 551.643 5.462 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000000662327 551516165 /nfs/dbraw/zinc/51/61/65/551516165.db2.gz XKMOOPNBYXZJCC-UHFFFAOYSA-N 0 0 501.589 5.817 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665822 551517470 /nfs/dbraw/zinc/51/74/70/551517470.db2.gz MFRNRXKMINSHAM-UHFFFAOYSA-N 0 0 563.094 6.498 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000666911 551517534 /nfs/dbraw/zinc/51/75/34/551517534.db2.gz OSUWSLKXPZXDPE-XHCCPWGMSA-N 0 0 522.041 6.292 50 30 biogenic,in-vitro KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000666706 551517543 /nfs/dbraw/zinc/51/75/43/551517543.db2.gz WDHNANILLFWOQP-UKJJDJLKSA-N 0 0 553.655 6.208 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000666710 551517563 /nfs/dbraw/zinc/51/75/63/551517563.db2.gz WDHNANILLFWOQP-ZOYWYXQUSA-N 0 0 553.655 6.208 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000667069 551517955 /nfs/dbraw/zinc/51/79/55/551517955.db2.gz XZQVKCKCZMCGHC-YUDQIZAISA-N 0 0 523.585 5.529 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000667065 551517963 /nfs/dbraw/zinc/51/79/63/551517963.db2.gz XZQVKCKCZMCGHC-DJUQAAIZSA-N 0 0 523.585 5.529 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000667046 551517966 /nfs/dbraw/zinc/51/79/66/551517966.db2.gz SWKHBNIKHUSKEA-JHOBJCJYSA-N 0 0 558.074 6.505 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000672323 551519423 /nfs/dbraw/zinc/51/94/23/551519423.db2.gz SYUCUYJSRZXWJT-XDCSYDRFSA-N 0 0 560.650 6.927 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000672317 551519462 /nfs/dbraw/zinc/51/94/62/551519462.db2.gz SYUCUYJSRZXWJT-WNSROMTISA-N 0 0 560.650 6.927 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@H](c1cccs1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000000673926 551520681 /nfs/dbraw/zinc/52/06/81/551520681.db2.gz GCWCFRBZUOKZIG-SWLSCSKDSA-N 0 0 511.982 6.323 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674118 551520898 /nfs/dbraw/zinc/52/08/98/551520898.db2.gz KINWNGNCMCOSKE-PBBNMVCDSA-N 0 0 505.530 6.402 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000000678709 551522628 /nfs/dbraw/zinc/52/26/28/551522628.db2.gz IHZUKYNPZCARTN-IIMAJNMQSA-N 0 0 547.648 5.568 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000000678884 551522697 /nfs/dbraw/zinc/52/26/97/551522697.db2.gz YIKWXTHYJLLVHX-CRICUBBOSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000679204 551523248 /nfs/dbraw/zinc/52/32/48/551523248.db2.gz MMJYQNSCKSUBBC-VKGTZQKMSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2F)cc1OC ZINC000000679218 551523294 /nfs/dbraw/zinc/52/32/94/551523294.db2.gz HFRTYPILXWSMFH-AFJIDDCJSA-N 0 0 519.613 6.080 50 30 KKEARN CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000679297 551523435 /nfs/dbraw/zinc/52/34/35/551523435.db2.gz CUHYOTCAGAVFTN-MHZLTWQESA-N 0 0 553.537 5.476 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000000681749 551524529 /nfs/dbraw/zinc/52/45/29/551524529.db2.gz LPRZLVPWXHUBQR-CRYYWNKWSA-N 0 0 535.438 6.542 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccco2)cc1 ZINC000000681772 551524659 /nfs/dbraw/zinc/52/46/59/551524659.db2.gz XBERHAOLEBHNRL-PPHZAIPVSA-N 0 0 523.555 6.589 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1)C(F)(F)F ZINC000000681834 551524751 /nfs/dbraw/zinc/52/47/51/551524751.db2.gz BRHZQUUPHVDNJY-NSYGIPOTSA-N 0 0 541.913 6.711 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000689594 551527022 /nfs/dbraw/zinc/52/70/22/551527022.db2.gz QBXNTMHWNBSNLU-SLQAJWMNSA-N 0 0 530.571 5.982 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C(F)(F)F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000690289 551527200 /nfs/dbraw/zinc/52/72/00/551527200.db2.gz VSBOCUSBQMPYBY-WINIVTDRSA-N 0 0 520.526 6.845 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccccc1Br ZINC000000695869 551528069 /nfs/dbraw/zinc/52/80/69/551528069.db2.gz JOBYZZCDIZEMNK-GDLZYMKVSA-N 0 0 588.502 6.347 50 30 KKEARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000000699747 551528928 /nfs/dbraw/zinc/52/89/28/551528928.db2.gz KEKLRKZMINABEQ-RUZDIDTESA-N 0 0 520.630 5.309 50 30 KKEARN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000000699748 551528978 /nfs/dbraw/zinc/52/89/78/551528978.db2.gz KEKLRKZMINABEQ-VWLOTQADSA-N 0 0 520.630 5.309 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000000703058 551530233 /nfs/dbraw/zinc/53/02/33/551530233.db2.gz NKVCWTQAJXLLBS-LCHPKMOASA-N 0 0 525.601 5.346 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000000703135 551530707 /nfs/dbraw/zinc/53/07/07/551530707.db2.gz GFKZPNOOJOEKCJ-RUZDIDTESA-N 0 0 510.571 6.533 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000703181 551531016 /nfs/dbraw/zinc/53/10/16/551531016.db2.gz WZWJLLHWJLTTRG-SSEXGKCCSA-N 0 0 564.594 5.219 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000708003 551531854 /nfs/dbraw/zinc/53/18/54/551531854.db2.gz KAHLZJAREMAVNQ-CCLHPLFOSA-N 0 0 502.567 5.451 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000000708159 551532110 /nfs/dbraw/zinc/53/21/10/551532110.db2.gz LFDPGEONEZATOG-CHJDUVSTSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708075 551532113 /nfs/dbraw/zinc/53/21/13/551532113.db2.gz NKGFUFPEMNDYQE-CLYVBNDRSA-N 0 0 524.013 5.638 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1OC ZINC000000708156 551532128 /nfs/dbraw/zinc/53/21/28/551532128.db2.gz LFDPGEONEZATOG-YKGWIAGDSA-N 0 0 531.649 5.950 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000000708839 551532638 /nfs/dbraw/zinc/53/26/38/551532638.db2.gz HOMBNCIAELSWOR-WZQKQDCOSA-N 0 0 523.814 6.811 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000000709959 551532868 /nfs/dbraw/zinc/53/28/68/551532868.db2.gz LWJVUWUMGLWPQZ-ADKRDUOOSA-N 0 0 528.992 6.443 50 30 KKEARN CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000000709658 551532872 /nfs/dbraw/zinc/53/28/72/551532872.db2.gz QCNSPDJXBZFUHE-VJBWXMMDSA-N 0 0 521.249 5.610 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CC1 ZINC000000709607 551532885 /nfs/dbraw/zinc/53/28/85/551532885.db2.gz KDYMHAUHMVHDIN-UGDMGKLASA-N 0 0 524.617 6.389 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000000710637 551533015 /nfs/dbraw/zinc/53/30/15/551533015.db2.gz GATNHYRPUOFIGS-YRVHBCJASA-N 0 0 579.491 6.853 50 30 biogenic,in-vitro KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000000716027 551534265 /nfs/dbraw/zinc/53/42/65/551534265.db2.gz OYJBSFMSVVHIAX-QHCPKHFHSA-N 0 0 516.472 5.334 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000000717687 551534812 /nfs/dbraw/zinc/53/48/12/551534812.db2.gz QWNHNWFLLWBJJZ-SONOPUAISA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000000717690 551534839 /nfs/dbraw/zinc/53/48/39/551534839.db2.gz QWNHNWFLLWBJJZ-SLQAJWMNSA-N 0 0 547.648 5.568 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718122 551534986 /nfs/dbraw/zinc/53/49/86/551534986.db2.gz SXGANHMVGCHPAB-QABMSTFYSA-N 0 0 506.602 6.092 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C(F)(F)F)c1 ZINC000000718256 551535241 /nfs/dbraw/zinc/53/52/41/551535241.db2.gz OEDBYRNSMVLIRR-WXTAPIANSA-N 0 0 526.942 6.812 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccs3)C2)cc1OC ZINC000000719045 551535698 /nfs/dbraw/zinc/53/56/98/551535698.db2.gz PGJNQOIPYBMJNZ-HMILPKGGSA-N 0 0 500.620 6.076 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1O ZINC000000719933 551536610 /nfs/dbraw/zinc/53/66/10/551536610.db2.gz NPFSRCMXDREDAL-YRVHBCJASA-N 0 0 516.594 5.796 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000781359 551541986 /nfs/dbraw/zinc/54/19/86/551541986.db2.gz WERTVQKMNOZOJA-SLGOVJDISA-N 0 0 539.628 5.817 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000000797836 551543268 /nfs/dbraw/zinc/54/32/68/551543268.db2.gz HHNBGIMBUORBOC-RUZDIDTESA-N 0 0 526.976 5.541 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3n2)cc1 ZINC000000845169 551548315 /nfs/dbraw/zinc/54/83/15/551548315.db2.gz QISVFMGVLMVQID-ZDUSSCGKSA-N 0 0 511.529 5.734 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000000848058 551549394 /nfs/dbraw/zinc/54/93/94/551549394.db2.gz FIQHTMZZRQPVHW-NFQMXDRXSA-N 0 0 510.030 6.005 50 30 biogenic,in-vitro KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000000853910 551550227 /nfs/dbraw/zinc/55/02/27/551550227.db2.gz JPJGDYMZWKMZAG-PSLXWICFSA-N 0 0 530.802 5.366 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000857627 551550767 /nfs/dbraw/zinc/55/07/67/551550767.db2.gz HGGLKSMWCUHTPK-AREMUKBSSA-N 0 0 505.958 6.671 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000861308 551551209 /nfs/dbraw/zinc/55/12/09/551551209.db2.gz MZQGMZCHLANECT-MNNSJKJDSA-N 0 0 544.047 6.202 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(OC)c2OC)cc1 ZINC000000861380 551551334 /nfs/dbraw/zinc/55/13/34/551551334.db2.gz YUNIIDWXEBEALJ-KCWXNJEJSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(Br)c2)cc1 ZINC000000861457 551551540 /nfs/dbraw/zinc/55/15/40/551551540.db2.gz RZSFUNNIDRURSS-IBVKSMDESA-N 0 0 524.455 6.019 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863443 551551889 /nfs/dbraw/zinc/55/18/89/551551889.db2.gz JHSGQGPAPKWLBQ-UPCLLVRISA-N 0 0 502.394 5.545 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000949843 551588901 /nfs/dbraw/zinc/58/89/01/551588901.db2.gz YWSGZVFKBKLVQU-UHFFFAOYSA-N 0 0 556.113 5.888 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000949842 551588919 /nfs/dbraw/zinc/58/89/19/551588919.db2.gz BHGCQNFNVHEEBR-UHFFFAOYSA-N 0 0 586.537 5.689 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000959795 551589992 /nfs/dbraw/zinc/58/99/92/551589992.db2.gz YKJFEXQEFNAQKA-HXUWFJFHSA-N 0 0 523.014 6.237 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000000985920 551592525 /nfs/dbraw/zinc/59/25/25/551592525.db2.gz UCEDUESVBAWLLV-WHLCRQNOSA-N 0 0 566.576 6.484 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000985926 551592840 /nfs/dbraw/zinc/59/28/40/551592840.db2.gz VFKHKRRDTMZELY-GZGVDWRWSA-N 0 0 574.677 7.235 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000996172 551594620 /nfs/dbraw/zinc/59/46/20/551594620.db2.gz RYMSTUNCJRLXHF-SSEXGKCCSA-N 0 0 532.596 6.385 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3N2)cc1 ZINC000000999798 551595659 /nfs/dbraw/zinc/59/56/59/551595659.db2.gz UTWQIDTZDATZCR-YIILKADPSA-N 0 0 515.561 5.862 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC(N)=O ZINC000001007245 551596216 /nfs/dbraw/zinc/59/62/16/551596216.db2.gz QTHCYLIBMRWXPO-MUUNZHRXSA-N 0 0 549.465 6.175 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001067226 551602219 /nfs/dbraw/zinc/60/22/19/551602219.db2.gz DPISGKOOOJLHHC-JWIGPWBQSA-N 0 0 506.986 6.051 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001074648 551603475 /nfs/dbraw/zinc/60/34/75/551603475.db2.gz GMCHOUSGMQMIQM-HRFSGMKKSA-N 0 0 503.595 6.001 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1OC ZINC000001074581 551603496 /nfs/dbraw/zinc/60/34/96/551603496.db2.gz UKSMJHBMHGVBEQ-ACSYHNTCSA-N 0 0 517.622 5.560 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001074664 551603861 /nfs/dbraw/zinc/60/38/61/551603861.db2.gz BLRALXGGQVFQMF-NGOKVRLYSA-N 0 0 545.657 5.879 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001074657 551603889 /nfs/dbraw/zinc/60/38/89/551603889.db2.gz GMCHOUSGMQMIQM-DCFHFQCYSA-N 0 0 503.595 6.001 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000001074849 551604114 /nfs/dbraw/zinc/60/41/14/551604114.db2.gz YVTMKFZLGNUODL-PIIWDFAUSA-N 0 0 512.606 5.092 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001076874 551604367 /nfs/dbraw/zinc/60/43/67/551604367.db2.gz HNJGJVPYICDEEU-LBEKAKSKSA-N 0 0 579.491 6.853 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001076377 551604383 /nfs/dbraw/zinc/60/43/83/551604383.db2.gz PCZYCBCLDGOSBO-XRHLQHRESA-N 0 0 545.661 5.478 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001077159 551604493 /nfs/dbraw/zinc/60/44/93/551604493.db2.gz ZJECRKRHKCRJRB-MQNRADLISA-N 0 0 525.468 6.897 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)cc(Br)c1O ZINC000001077110 551604593 /nfs/dbraw/zinc/60/45/93/551604593.db2.gz FZTRBCOBZGCJTQ-CRYYWNKWSA-N 0 0 535.438 6.542 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001082062 551605859 /nfs/dbraw/zinc/60/58/59/551605859.db2.gz OLDNWIDHYRLCSP-GTYOFVGBSA-N 0 0 569.654 5.826 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000001082036 551605863 /nfs/dbraw/zinc/60/58/63/551605863.db2.gz IPVJOMVZTVREBL-GTYOFVGBSA-N 0 0 558.074 6.505 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000001082084 551605868 /nfs/dbraw/zinc/60/58/68/551605868.db2.gz ZXNCQEVWDZYXPJ-XJFCNFDWSA-N 0 0 523.629 6.199 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000001085026 551606141 /nfs/dbraw/zinc/60/61/41/551606141.db2.gz SDTZXIWSFHGHMC-SANMLTNESA-N 0 0 504.583 5.649 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000001085028 551606153 /nfs/dbraw/zinc/60/61/53/551606153.db2.gz PFODZZJPMFZRTC-SANMLTNESA-N 0 0 520.582 5.350 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000001082465 551606183 /nfs/dbraw/zinc/60/61/83/551606183.db2.gz LNEXNOPQFRPDIO-UHFFFAOYSA-N 0 0 511.603 6.044 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001111143 551611342 /nfs/dbraw/zinc/61/13/42/551611342.db2.gz BYNGKQIGCKRECE-HEIROHQZSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001111137 551611404 /nfs/dbraw/zinc/61/14/04/551611404.db2.gz ZBHHUQMYGXTWTB-IIMAJNMQSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001130083 551615387 /nfs/dbraw/zinc/61/53/87/551615387.db2.gz PETOHSRCCALPSR-CCLHPLFOSA-N 0 0 514.534 5.301 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)cc1Br ZINC000001140824 551617055 /nfs/dbraw/zinc/61/70/55/551617055.db2.gz BEXWGMIAOUADRX-OWJWWREXSA-N 0 0 546.483 5.841 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1 ZINC000001155626 551619353 /nfs/dbraw/zinc/61/93/53/551619353.db2.gz CJWSDXHMYPVQSV-KMRXNPHXSA-N 0 0 515.606 5.329 50 30 KKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(Br)c(OC)c1OC 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COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001202074 551623583 /nfs/dbraw/zinc/62/35/83/551623583.db2.gz RCYREOWYMTYXMJ-OOWIMERYSA-N 0 0 523.629 5.851 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001201753 551623596 /nfs/dbraw/zinc/62/35/96/551623596.db2.gz IGNYOIWVTNDFDY-VOIUYBSRSA-N 0 0 542.426 5.097 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001203974 551624172 /nfs/dbraw/zinc/62/41/72/551624172.db2.gz COJIYHDJZSNXQY-BTYSJIOQSA-N 0 0 514.021 6.193 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2Br)cc1 ZINC000001214084 551626081 /nfs/dbraw/zinc/62/60/81/551626081.db2.gz MQDPYUWEEIHMHF-JYRCXFKTSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccccc2Cl)cc1 ZINC000001246292 551631636 /nfs/dbraw/zinc/63/16/36/551631636.db2.gz RODHTOQVGHOHOG-MRDQGFSESA-N 0 0 526.942 6.812 50 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/nfs/dbraw/zinc/66/92/52/551669252.db2.gz CBTPHPNJSNEIBQ-RUZDIDTESA-N 0 0 550.677 5.427 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000001426919 551669398 /nfs/dbraw/zinc/66/93/98/551669398.db2.gz OEHQGUJVKCXWJR-QLXKLKPCSA-N 0 0 504.583 5.602 50 30 KKEARN COc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000001430159 551669975 /nfs/dbraw/zinc/66/99/75/551669975.db2.gz RNEFLBHOADPWOK-IBGZPJMESA-N 0 0 504.652 6.070 50 30 KKEARN COc1cc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001429728 551669983 /nfs/dbraw/zinc/66/99/83/551669983.db2.gz SROZFCAYWDOCNE-IBGZPJMESA-N 0 0 520.651 5.832 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000001431243 551670226 /nfs/dbraw/zinc/67/02/26/551670226.db2.gz KGOQSHVMWDEQGR-NFQMXDRXSA-N 0 0 515.631 5.870 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000001431246 551670265 /nfs/dbraw/zinc/67/02/65/551670265.db2.gz KGOQSHVMWDEQGR-DCFHFQCYSA-N 0 0 515.631 5.870 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2Br)c1 ZINC000001434702 551670621 /nfs/dbraw/zinc/67/06/21/551670621.db2.gz UNXOEMOVDOZAFR-YMGMXPECSA-N 0 0 535.438 6.454 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000001434733 551670973 /nfs/dbraw/zinc/67/09/73/551670973.db2.gz NBLBVOGNXSHYTG-ADXZGYQBSA-N 0 0 513.594 5.650 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000001434731 551670996 /nfs/dbraw/zinc/67/09/96/551670996.db2.gz NBLBVOGNXSHYTG-SONOPUAISA-N 0 0 513.594 5.650 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001438576 551671933 /nfs/dbraw/zinc/67/19/33/551671933.db2.gz YUOPCKUXXVLCKX-ONOMSOESSA-N 0 0 545.657 5.879 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438572 551671943 /nfs/dbraw/zinc/67/19/43/551671943.db2.gz DQLVSROYLVBNAO-PIIWDFAUSA-N 0 0 523.610 5.960 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001438568 551671955 /nfs/dbraw/zinc/67/19/55/551671955.db2.gz ICLJWKPGDITEHV-PIKZIKFNSA-N 0 0 515.631 5.870 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438544 551671993 /nfs/dbraw/zinc/67/19/93/551671993.db2.gz IJORHJXTXLNJAK-KMRXNPHXSA-N 0 0 513.615 5.624 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001438615 551672263 /nfs/dbraw/zinc/67/22/63/551672263.db2.gz PMNVPRVFYBOFPZ-JRPXNJEYSA-N 0 0 567.663 6.277 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000001438589 551672325 /nfs/dbraw/zinc/67/23/25/551672325.db2.gz UERXGRMPPPNGCU-WINIVTDRSA-N 0 0 502.567 5.451 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCc4ccccc4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000001438873 551672374 /nfs/dbraw/zinc/67/23/74/551672374.db2.gz IFBHOLABXZQMQW-ONOMSOESSA-N 0 0 537.637 6.268 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001438880 551672386 /nfs/dbraw/zinc/67/23/86/551672386.db2.gz IVCDTBWXYJVTEU-LMKMVOKYSA-N 0 0 556.453 5.485 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1 ZINC000001439833 551672419 /nfs/dbraw/zinc/67/24/19/551672419.db2.gz ILDOHOIDPSLQKX-UHFFFAOYSA-N 0 0 500.591 6.315 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001438877 551672456 /nfs/dbraw/zinc/67/24/56/551672456.db2.gz IVCDTBWXYJVTEU-PUAOIOHZSA-N 0 0 556.453 5.485 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000001440047 551672809 /nfs/dbraw/zinc/67/28/09/551672809.db2.gz PNHIVORHQSRYNG-CRYYWNKWSA-N 0 0 503.396 6.466 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(=O)C[C@@H]2c1ccccc1 ZINC000001445905 551674038 /nfs/dbraw/zinc/67/40/38/551674038.db2.gz CEVWNRSHUOREEW-LJQANCHMSA-N 0 0 510.084 6.648 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445956 551674085 /nfs/dbraw/zinc/67/40/85/551674085.db2.gz OFLGADRXBWDMJW-QGZVFWFLSA-N 0 0 533.572 6.516 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001450355 551675295 /nfs/dbraw/zinc/67/52/95/551675295.db2.gz UTSRKLBGGPCTKR-XMMPIXPASA-N 0 0 528.586 5.491 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001451059 551675543 /nfs/dbraw/zinc/67/55/43/551675543.db2.gz ROSLLASECVFJCB-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001451422 551676031 /nfs/dbraw/zinc/67/60/31/551676031.db2.gz RLOXKQHPWLZZQO-SANMLTNESA-N 0 0 574.655 6.039 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001451729 551676319 /nfs/dbraw/zinc/67/63/19/551676319.db2.gz YFRFNVAWEQERMG-OLRZCDJHSA-N 0 0 504.970 6.065 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001456579 551676645 /nfs/dbraw/zinc/67/66/45/551676645.db2.gz RXWZHFFUSVLTJV-QUGAMOGWSA-N 0 0 501.604 5.702 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001456578 551676759 /nfs/dbraw/zinc/67/67/59/551676759.db2.gz RXWZHFFUSVLTJV-WGDIFIGCSA-N 0 0 501.604 5.702 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001458963 551677620 /nfs/dbraw/zinc/67/76/20/551677620.db2.gz QEMRRNBETSHQPM-QCBOHVIISA-N 0 0 560.650 6.927 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460740 551678025 /nfs/dbraw/zinc/67/80/25/551678025.db2.gz ISFRBLMCZHDYNQ-ICACTRECSA-N 0 0 584.669 5.817 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC[C@H]2CCCO2)cc1OC ZINC000001459840 551678038 /nfs/dbraw/zinc/67/80/38/551678038.db2.gz BUUKWZDNHRKJFA-WINIVTDRSA-N 0 0 521.683 5.374 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2coc3ccccc3c2=O)cc1OC ZINC000001460818 551678543 /nfs/dbraw/zinc/67/85/43/551678543.db2.gz FIIPHIPVXOLFSN-KCEHZKJRSA-N 0 0 576.649 6.119 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2F)cc1 ZINC000001460831 551678738 /nfs/dbraw/zinc/67/87/38/551678738.db2.gz UBKOFWFITLNTNA-WRGVRERRSA-N 0 0 542.607 5.852 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460838 551678752 /nfs/dbraw/zinc/67/87/52/551678752.db2.gz REWWWBYYDOTGFX-JCOAXYOVSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000001460973 551678777 /nfs/dbraw/zinc/67/87/77/551678777.db2.gz GDKQKOOTDWDHKY-WKRVVKTRSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2OC)cc1OC ZINC000001461005 551679042 /nfs/dbraw/zinc/67/90/42/551679042.db2.gz XSHCCMIQKRHGPY-JPZYQRIQSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(C)ccc2C)cc1OC ZINC000001461002 551679056 /nfs/dbraw/zinc/67/90/56/551679056.db2.gz XPKNBMLHBJAPMX-BNHRFMORSA-N 0 0 536.672 6.629 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461029 551679198 /nfs/dbraw/zinc/67/91/98/551679198.db2.gz VVUSIEWIPOJDNR-UKJJDJLKSA-N 0 0 536.672 6.575 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(OC)c(O)c2)cc1 ZINC000001461031 551679210 /nfs/dbraw/zinc/67/92/10/551679210.db2.gz ITQPCVJUGURINT-UKPGIYTDSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(O)cc2)cc1OC ZINC000001461100 551679519 /nfs/dbraw/zinc/67/95/19/551679519.db2.gz AIHSZONOIAHCDV-SMSORMJASA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001477078 551681289 /nfs/dbraw/zinc/68/12/89/551681289.db2.gz QOCCXORTOXDSBK-GDLZYMKVSA-N 0 0 542.632 5.097 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001480646 551681459 /nfs/dbraw/zinc/68/14/59/551681459.db2.gz SIJJJBUKUMOQFL-RUZDIDTESA-N 0 0 560.628 5.730 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001482268 551682612 /nfs/dbraw/zinc/68/26/12/551682612.db2.gz HIMSTRUEUSMNJW-RUZDIDTESA-N 0 0 560.628 5.812 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482303 551682976 /nfs/dbraw/zinc/68/29/76/551682976.db2.gz AUPDCIBSLMIYDZ-HSZRJFAPSA-N 0 0 534.565 5.553 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Oc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000001614335 551686235 /nfs/dbraw/zinc/68/62/35/551686235.db2.gz PHERVYAPPVPBKT-CMNXJCJSSA-N 0 0 566.249 7.916 50 30 biogenic KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000001746308 551691936 /nfs/dbraw/zinc/69/19/36/551691936.db2.gz COWBBVUOEKDKRG-UHFFFAOYSA-N 0 0 507.656 6.044 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001746472 551692151 /nfs/dbraw/zinc/69/21/51/551692151.db2.gz JCNINISAHMIESD-UHFFFAOYSA-N 0 0 516.475 6.657 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3\C(=O)Nc4ccc(Br)cc43)C(=O)N2c2ccc(C)cc2)cc1 ZINC000001750680 551693006 /nfs/dbraw/zinc/69/30/06/551693006.db2.gz FGYWOXOOGUNVHJ-IJODWYDQSA-N 0 0 504.409 6.197 50 30 KKEARN COc1cc2cc(CN=Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)c(Cl)nc2cc1OC ZINC000001764069 551694652 /nfs/dbraw/zinc/69/46/52/551694652.db2.gz PIPLBYORSHVHQZ-IPPBACCNSA-N 0 0 504.377 6.615 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001809069 551705328 /nfs/dbraw/zinc/70/53/28/551705328.db2.gz RSFZXGGSGBOHOK-QFIPXVFZSA-N 0 0 580.934 5.628 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccccc1Cl ZINC000001811296 551706262 /nfs/dbraw/zinc/70/62/62/551706262.db2.gz JHZSPYZENPTZLQ-UHFFFAOYSA-N 0 0 560.930 6.325 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1ccccc1Cl ZINC000001811295 551706264 /nfs/dbraw/zinc/70/62/64/551706264.db2.gz JJBVEPKSVPMULX-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN CCCN(CCC)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc21 ZINC000001819272 551708471 /nfs/dbraw/zinc/70/84/71/551708471.db2.gz HIOYXLHVONBGRG-UHFFFAOYSA-N 0 0 547.633 5.156 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 ZINC000001821599 551708980 /nfs/dbraw/zinc/70/89/80/551708980.db2.gz ILZIQFUZRPXQAS-NRFANRHFSA-N 0 0 510.729 6.563 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C/c5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000001834137 551712002 /nfs/dbraw/zinc/71/20/02/551712002.db2.gz AFVKHVSIWOSHHN-WCMJOSRZSA-N 0 0 505.534 5.772 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2OC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001835907 551712330 /nfs/dbraw/zinc/71/23/30/551712330.db2.gz SPACFQIUJLKYIM-UHFFFAOYSA-N 0 0 515.679 5.984 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(-c3ccc(C(=O)CSc4nc(C)c(C)c(C)c4C#N)cc3)cc2)c(C#N)c(C)c1C ZINC000001839179 551713603 /nfs/dbraw/zinc/71/36/03/551713603.db2.gz JCVSCVFULFWWKB-UHFFFAOYSA-N 0 0 590.774 7.687 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001862457 551717399 /nfs/dbraw/zinc/71/73/99/551717399.db2.gz AAPDMURHHZQFAJ-MUUNZHRXSA-N 0 0 590.520 5.987 50 30 KKEARN Cc1ccc(S(=O)(=O)C/N=C(\NC(=S)NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001877748 551723395 /nfs/dbraw/zinc/72/33/95/551723395.db2.gz FPVFVHBQJHWCRR-UHFFFAOYSA-N 0 0 514.676 5.390 50 30 KKEARN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccc(I)cc2c1=O ZINC000001890297 551726294 /nfs/dbraw/zinc/72/62/94/551726294.db2.gz BJWMUBYGAWVDMK-UHFFFAOYSA-N 0 0 567.452 6.034 50 30 KKEARN COc1cc(CN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1 ZINC000001890746 551726530 /nfs/dbraw/zinc/72/65/30/551726530.db2.gz RCKVQCOBWJEBPB-GDLZYMKVSA-N 0 0 574.596 5.208 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000001895376 551727583 /nfs/dbraw/zinc/72/75/83/551727583.db2.gz VEUISOTVBZASJG-KRWDZBQOSA-N 0 0 503.693 6.151 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001896071 551727999 /nfs/dbraw/zinc/72/79/99/551727999.db2.gz YUURGNKMSDBSGG-UHFFFAOYSA-N 0 0 536.000 6.714 50 30 KKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001896188 551728087 /nfs/dbraw/zinc/72/80/87/551728087.db2.gz JRVBWNPSSFUSGF-UHFFFAOYSA-N 0 0 536.000 6.714 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001898412 551729305 /nfs/dbraw/zinc/72/93/05/551729305.db2.gz BBBZHPCXJDMBKM-UHFFFAOYSA-N 0 0 553.650 6.994 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(Br)cc1 ZINC000001906385 551731872 /nfs/dbraw/zinc/73/18/72/551731872.db2.gz PUBRSBXUTFXVFD-UHFFFAOYSA-N 0 0 594.482 6.691 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccc(C)cc1 ZINC000001906447 551732093 /nfs/dbraw/zinc/73/20/93/551732093.db2.gz FFXJMBIUTHOFNV-UHFFFAOYSA-N 0 0 530.506 6.524 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906493 551732124 /nfs/dbraw/zinc/73/21/24/551732124.db2.gz QMMWMNPQURFFIO-UHFFFAOYSA-N 0 0 571.694 7.226 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000001906507 551732283 /nfs/dbraw/zinc/73/22/83/551732283.db2.gz DDYLJOFEELCVII-UHFFFAOYSA-N 0 0 576.531 6.233 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000001906504 551732286 /nfs/dbraw/zinc/73/22/86/551732286.db2.gz RNPIUPDLNBJYGD-UHFFFAOYSA-N 0 0 525.631 5.066 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000001906661 551732437 /nfs/dbraw/zinc/73/24/37/551732437.db2.gz MHJVIMQVBAJHNO-UHFFFAOYSA-N 0 0 546.505 6.128 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000001906695 551732503 /nfs/dbraw/zinc/73/25/03/551732503.db2.gz UGCZTIMARDHYJQ-UHFFFAOYSA-N 0 0 590.956 6.237 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000001927668 551734963 /nfs/dbraw/zinc/73/49/63/551734963.db2.gz FGYIGBCXKLZKRL-UHFFFAOYSA-N 0 0 554.722 6.575 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000001955170 551735807 /nfs/dbraw/zinc/73/58/07/551735807.db2.gz MLKYHFSPSPRJAW-BRJLIKDPSA-N 0 0 516.189 6.875 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(I)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002024293 551736435 /nfs/dbraw/zinc/73/64/35/551736435.db2.gz IOUOXCTVEMOIEJ-QHCPKHFHSA-N 0 0 527.402 5.639 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000002026066 551736446 /nfs/dbraw/zinc/73/64/46/551736446.db2.gz WNEJMDOIWKHPFQ-XDCSYDRFSA-N 0 0 503.642 8.094 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002030049 551736782 /nfs/dbraw/zinc/73/67/82/551736782.db2.gz XKEMUEYVDIOLCB-CYFIQEHSSA-N 0 0 516.685 8.152 50 30 KKEARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C#Cc4ccccc4)cc3)c(-c3ccc(C#Cc4ccccc4)cc3)[nH]2)cc1 ZINC000002030875 551736789 /nfs/dbraw/zinc/73/67/89/551736789.db2.gz NXDPFZPZSSRICE-UHFFFAOYSA-N 0 0 541.610 8.119 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O ZINC000002053477 551739217 /nfs/dbraw/zinc/73/92/17/551739217.db2.gz XVSOTSDFPFJYQS-KBKYJPHKSA-N 0 0 530.216 7.101 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)CCC2 ZINC000002054686 551739448 /nfs/dbraw/zinc/73/94/48/551739448.db2.gz DPVMCHMHUMOOCX-ORBVJSQLSA-N 0 0 585.148 8.270 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O ZINC000002055608 551739647 /nfs/dbraw/zinc/73/96/47/551739647.db2.gz UOUNXAIMZIXBTC-NSKAYECMSA-N 0 0 550.634 7.446 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1Br ZINC000002059402 551741275 /nfs/dbraw/zinc/74/12/75/551741275.db2.gz IJJTZWBXRDTOBB-MOSHPQCFSA-N 0 0 513.185 6.274 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002059499 551741459 /nfs/dbraw/zinc/74/14/59/551741459.db2.gz XWFMKKNCADROJA-XQJOSWFISA-N 0 0 547.695 7.503 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002059501 551741488 /nfs/dbraw/zinc/74/14/88/551741488.db2.gz XWFMKKNCADROJA-IPZQJPLYSA-N 0 0 547.695 7.503 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002062176 551743127 /nfs/dbraw/zinc/74/31/27/551743127.db2.gz OPMNZFUNJNTGLT-AREMUKBSSA-N 0 0 506.440 7.319 50 30 KKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1Cl ZINC000002062495 551743539 /nfs/dbraw/zinc/74/35/39/551743539.db2.gz CBADMNYNLLDASP-WJOKGBTCSA-N 0 0 524.060 8.390 50 30 KKEARN CCCCCCCCOC(=O)c1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002062907 551743811 /nfs/dbraw/zinc/74/38/11/551743811.db2.gz HELDHAKCBLGZRP-UHFFFAOYSA-N 0 0 517.236 7.618 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000002063412 551744346 /nfs/dbraw/zinc/74/43/46/551744346.db2.gz WSUFQCRYVPMUSH-HKBQPEDESA-N 0 0 528.479 9.035 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063252 551744430 /nfs/dbraw/zinc/74/44/30/551744430.db2.gz LMZUYQHFVGZZOP-ZORMNXRFSA-N 0 0 533.668 7.113 50 30 KKEARN CC(C)(C)c1cc(/C(=N/c2ccc(Br)cc2)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1O ZINC000002066502 551745521 /nfs/dbraw/zinc/74/55/21/551745521.db2.gz AYHONTQKHFKSHE-UHFFFAOYSA-N 0 0 558.358 8.703 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1ccc(OC(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc1)CCCC2 ZINC000002070657 551746893 /nfs/dbraw/zinc/74/68/93/551746893.db2.gz MEDKBNHGWGZBOE-UHFFFAOYSA-N 0 0 587.583 6.699 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1OCC ZINC000002071190 551747077 /nfs/dbraw/zinc/74/70/77/551747077.db2.gz QIFIHRGBZFNBPC-MFOYZWKCSA-N 0 0 507.724 5.319 50 30 KKEARN Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c(C)c1Cl ZINC000002071409 551747361 /nfs/dbraw/zinc/74/73/61/551747361.db2.gz KIAFKIGOHPSEQU-OPEKNORGSA-N 0 0 502.739 6.826 50 30 KKEARN Cc1cccc(C)c1Nc1cc2c(ccc(Br)c2/N=C/c2cc(Br)ccc2O)o1 ZINC000002072477 551747508 /nfs/dbraw/zinc/74/75/08/551747508.db2.gz JVRNXJKHFHBXOP-RPPGKUMJSA-N 0 0 514.217 7.774 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002071756 551747520 /nfs/dbraw/zinc/74/75/20/551747520.db2.gz 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/nfs/dbraw/zinc/74/86/98/551748698.db2.gz GXWHGKBLCKKBQS-WTYVLRPYSA-N 0 0 521.610 5.123 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002074408 551749247 /nfs/dbraw/zinc/74/92/47/551749247.db2.gz MMHWKGCDBGYZTM-RBISFHTESA-N 0 0 533.621 5.195 50 30 KKEARN Cc1ccc(N2C(=O)C(=C(c3ccccc3)c3ccccc3)C(C(=O)c3ccccc3)=C2c2ccccc2)cc1 ZINC000002077719 551750325 /nfs/dbraw/zinc/75/03/25/551750325.db2.gz FMQIEZPOWUYNIP-UHFFFAOYSA-N 0 0 517.628 8.138 50 30 KKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000002079019 551750878 /nfs/dbraw/zinc/75/08/78/551750878.db2.gz TZMCBILSYUURNZ-LNZWSYKSSA-N 0 0 521.657 7.129 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)sc2C1 ZINC000002081301 551751429 /nfs/dbraw/zinc/75/14/29/551751429.db2.gz AHBGLVOYQAWAKL-AWEZNQCLSA-N 0 0 502.467 7.683 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000002083554 551753295 /nfs/dbraw/zinc/75/32/95/551753295.db2.gz RRMSKOXYEPJOJF-QHCPKHFHSA-N 0 0 500.422 6.220 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc3ccccc3c2)cc1 ZINC000002085549 551755348 /nfs/dbraw/zinc/75/53/48/551755348.db2.gz ZMMOJGVZPTUXRI-AREMUKBSSA-N 0 0 528.406 6.079 50 30 KKEARN COc1cc(Cl)cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)c1OC ZINC000002087067 551756839 /nfs/dbraw/zinc/75/68/39/551756839.db2.gz QYKAUKWTKSGSQE-PYDPJRFUSA-N 0 0 507.055 7.399 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002087886 551757295 /nfs/dbraw/zinc/75/72/95/551757295.db2.gz SXFZCPRBFFESAG-UHFFFAOYSA-N 0 0 565.742 6.159 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000002092666 551759295 /nfs/dbraw/zinc/75/92/95/551759295.db2.gz VSUZZBGSHCJOGT-LBPRGKRZSA-N 0 0 560.399 6.488 50 30 KKEARN Cc1ccccc1/N=C1\S/C(=C2\C(=O)Nc3c2cc(Br)cc3Br)C(=O)N1c1ccccc1C ZINC000002092878 551759588 /nfs/dbraw/zinc/75/95/88/551759588.db2.gz MSCQNCOEZUZCBF-RYBPRSMQSA-N 0 0 583.305 6.959 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 ZINC000002092834 551759590 /nfs/dbraw/zinc/75/95/90/551759590.db2.gz YLFBZTJCPFXJNF-MPVBVHJXSA-N 0 0 520.654 7.700 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3cc(Br)c(Br)o3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002093138 551759708 /nfs/dbraw/zinc/75/97/08/551759708.db2.gz VXCVJEMWZRFBIN-QFVKKHJYSA-N 0 0 560.311 7.738 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1-2 ZINC000002094631 551760677 /nfs/dbraw/zinc/76/06/77/551760677.db2.gz HCVOYVKGHFRKSL-XMMPIXPASA-N 0 0 533.451 6.661 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000002095247 551761194 /nfs/dbraw/zinc/76/11/94/551761194.db2.gz OHJFWXHILBGPBW-QHCPKHFHSA-N 0 0 520.464 5.804 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cccs3)c2C(=O)OC)nc2sc3c(c2c1=O)CCCC3 ZINC000002106503 551764079 /nfs/dbraw/zinc/76/40/79/551764079.db2.gz RPMXAOCLGUQRBZ-UHFFFAOYSA-N 0 0 557.744 5.830 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc2scc(-c3cccs3)c2c1=O ZINC000002106556 551764405 /nfs/dbraw/zinc/76/44/05/551764405.db2.gz JIMTXNNPUWNTMW-UHFFFAOYSA-N 0 0 510.691 5.525 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(CC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108351 551765703 /nfs/dbraw/zinc/76/57/03/551765703.db2.gz SFNIYRPWOCXMPI-UHFFFAOYSA-N 0 0 517.654 8.024 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108523 551766079 /nfs/dbraw/zinc/76/60/79/551766079.db2.gz OHQACXCBAYRIJC-VWLOTQADSA-N 0 0 574.899 6.467 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000002112057 551767873 /nfs/dbraw/zinc/76/78/73/551767873.db2.gz YGQVAIDUEXBWGL-HHHXNRCGSA-N 0 0 552.509 6.812 50 30 KKEARN N#Cc1c(NC(=O)c2ccc(COc3ccccc3Br)cc2)sc2c1CCCCCCCCCC2 ZINC000002111877 551767887 /nfs/dbraw/zinc/76/78/87/551767887.db2.gz DXNYNKXSEAYUPX-UHFFFAOYSA-N 0 0 551.550 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KKEARN O=C1C=C(c2ccccc2)C2=C(c3ccc(Br)cc3)C=C(c3ccccc3)O[C@@]12c1ccccc1 ZINC000002146293 551776412 /nfs/dbraw/zinc/77/64/12/551776412.db2.gz UDQBVLJHTPURTO-YTTGMZPUSA-N 0 0 517.422 7.836 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccc(Cl)cc3)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000002151158 551778372 /nfs/dbraw/zinc/77/83/72/551778372.db2.gz YKRFUBBMPKUJRU-SANMLTNESA-N 0 0 531.483 7.602 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151498 551778541 /nfs/dbraw/zinc/77/85/41/551778541.db2.gz BBQSYFGYQABMLG-HHHXNRCGSA-N 0 0 573.487 6.439 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3C(F)(F)F)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002151991 551778779 /nfs/dbraw/zinc/77/87/79/551778779.db2.gz FFZMNYUILAMCDC-MHZLTWQESA-N 0 0 574.599 7.043 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccccc3Cl)C3=C(C(=O)CCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002152069 551778993 /nfs/dbraw/zinc/77/89/93/551778993.db2.gz CMUIEHHXTIQQIF-HHHXNRCGSA-N 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CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002762242 552182994 /nfs/dbraw/zinc/18/29/94/552182994.db2.gz MLOUZUTYQWUPRY-HFJWLAOPSA-N 0 0 540.454 5.781 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC2CCCCC2)cc1 ZINC000002768683 552183751 /nfs/dbraw/zinc/18/37/51/552183751.db2.gz QHDYMVGNDXCRBU-SSEXGKCCSA-N 0 0 530.782 7.356 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000002769825 552184098 /nfs/dbraw/zinc/18/40/98/552184098.db2.gz CEZFFVOFGLKBOL-AREMUKBSSA-N 0 0 538.572 5.489 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000002771867 552184685 /nfs/dbraw/zinc/18/46/85/552184685.db2.gz AWDJKFZLZRQYAR-QABMSTFYSA-N 0 0 509.602 5.679 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002771905 552184724 /nfs/dbraw/zinc/18/47/24/552184724.db2.gz VGSLZHORLZCVRK-CJAUYULYSA-N 0 0 513.681 5.423 50 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KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002774622 552186217 /nfs/dbraw/zinc/18/62/17/552186217.db2.gz XQNJTGVIKZTDHF-QYBDOPJKSA-N 0 0 554.437 5.119 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002775326 552186464 /nfs/dbraw/zinc/18/64/64/552186464.db2.gz LZZPYYAOPMYTBQ-HFJWLAOPSA-N 0 0 542.028 5.004 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000002776166 552187098 /nfs/dbraw/zinc/18/70/98/552187098.db2.gz FWODIQDIUTXXKV-DCFHFQCYSA-N 0 0 536.466 6.305 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000002776165 552187114 /nfs/dbraw/zinc/18/71/14/552187114.db2.gz FWODIQDIUTXXKV-CCLHPLFOSA-N 0 0 536.466 6.305 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000002776364 552187124 /nfs/dbraw/zinc/18/71/24/552187124.db2.gz OJZQBRJZAKMTEF-GTYOFVGBSA-N 0 0 553.611 5.408 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002779840 552188288 /nfs/dbraw/zinc/18/82/88/552188288.db2.gz YBRWMZZQAVGXSC-SANMLTNESA-N 0 0 570.480 5.693 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000002784221 552189503 /nfs/dbraw/zinc/18/95/03/552189503.db2.gz MZXRRJREPQHPQZ-RUZDIDTESA-N 0 0 509.986 5.295 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000002784220 552189512 /nfs/dbraw/zinc/18/95/12/552189512.db2.gz RASWEPGOPYIPKD-PMERELPUSA-N 0 0 509.602 5.856 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002788510 552190977 /nfs/dbraw/zinc/19/09/77/552190977.db2.gz VNYHQUVGWFGFMS-QYBDOPJKSA-N 0 0 530.448 6.325 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002788619 552191178 /nfs/dbraw/zinc/19/11/78/552191178.db2.gz QSLLQORRIJHYMV-SSOJOUAXSA-N 0 0 530.448 6.325 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002789240 552191502 /nfs/dbraw/zinc/19/15/02/552191502.db2.gz LNSIZTMWAIBPDP-UHFFFAOYSA-N 0 0 531.681 8.585 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000002792868 552191923 /nfs/dbraw/zinc/19/19/23/552191923.db2.gz IGQAMDKJPLQAEO-MYUZEXMDSA-N 0 0 554.456 6.444 50 30 KKEARN COc1cc2c(cc1NC(=O)CSc1nc(C(F)(F)F)cc(-c3ccc(C)c(C)c3)c1C#N)oc1ccccc12 ZINC000002802911 552195088 /nfs/dbraw/zinc/19/50/88/552195088.db2.gz GUNKAISEYOWGMW-UHFFFAOYSA-N 0 0 561.585 7.895 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C(F)(F)F)cc(-c3ccco3)c1C#N)C[C@@H](C)CC2 ZINC000002806858 552196466 /nfs/dbraw/zinc/19/64/66/552196466.db2.gz KUKGFDRWVLECJW-ZDUSSCGKSA-N 0 0 549.596 6.326 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000002844237 552200158 /nfs/dbraw/zinc/20/01/58/552200158.db2.gz OUTPTHYTWLWKMT-KEEVHDRGSA-N 0 0 559.615 5.419 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000002855911 552202508 /nfs/dbraw/zinc/20/25/08/552202508.db2.gz WJDLNKCFDNTZDL-DEOSSOPVSA-N 0 0 548.738 5.442 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000002867033 552205722 /nfs/dbraw/zinc/20/57/22/552205722.db2.gz CCMAQLYUNSUPAY-UHFFFAOYSA-N 0 0 544.386 5.702 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2Cc1ccco1 ZINC000002872159 552206843 /nfs/dbraw/zinc/20/68/43/552206843.db2.gz SXQFLFJTDKXVJD-JOCHJYFZSA-N 0 0 515.315 5.303 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc(Br)ccc1O ZINC000002882795 552208848 /nfs/dbraw/zinc/20/88/48/552208848.db2.gz BPEHIPZRVMRFHR-UHFFFAOYSA-N 0 0 513.339 5.349 50 30 KKEARN C=CCn1c(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000002890812 552211648 /nfs/dbraw/zinc/21/16/48/552211648.db2.gz SIUMVXCOKLPIAO-UHFFFAOYSA-N 0 0 561.729 5.622 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000002915044 552216327 /nfs/dbraw/zinc/21/63/27/552216327.db2.gz PRKYDFWWPOZPJV-SSEXGKCCSA-N 0 0 558.556 8.869 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000002923373 552222112 /nfs/dbraw/zinc/22/21/12/552222112.db2.gz LPRMRXRCKUPTRY-PZGXJGMVSA-N 0 0 533.621 5.334 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925100 552222616 /nfs/dbraw/zinc/22/26/16/552222616.db2.gz UHENGPUNXWCOCJ-HPMVVLTCSA-N 0 0 564.081 7.477 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925829 552223939 /nfs/dbraw/zinc/22/39/39/552223939.db2.gz USWBDKKZZPZARV-OOWIMERYSA-N 0 0 542.075 7.232 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002927163 552224843 /nfs/dbraw/zinc/22/48/43/552224843.db2.gz YZGUKALYVHZALZ-WINIVTDRSA-N 0 0 510.461 7.231 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc2ccccc21 ZINC000002927661 552225120 /nfs/dbraw/zinc/22/51/20/552225120.db2.gz XPDOTZOSMMGQHT-WVXBCFDCSA-N 0 0 511.618 5.790 50 30 KKEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000002927763 552225140 /nfs/dbraw/zinc/22/51/40/552225140.db2.gz WSRGFFYDWFNGQI-VVFBEHOQSA-N 0 0 537.612 5.596 50 30 KKEARN CCCOc1c(I)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002958873 552232932 /nfs/dbraw/zinc/23/29/32/552232932.db2.gz XERADPBQBXRBEI-UHFFFAOYSA-N 0 0 564.460 6.489 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000003011527 552258626 /nfs/dbraw/zinc/25/86/26/552258626.db2.gz CURNOZUWCYNFOE-YOMUGFJLSA-N 0 0 562.061 7.533 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 ZINC000003042990 552273629 /nfs/dbraw/zinc/27/36/29/552273629.db2.gz JRDULBWNCOFUNM-IADYIPOJSA-N 0 0 578.319 6.310 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000003043376 552274557 /nfs/dbraw/zinc/27/45/57/552274557.db2.gz AILBBFIFGKVMPA-KIBLKLHPSA-N 0 0 520.152 6.624 50 30 KKEARN Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)ccc3C)c3cc(Br)ccc32)cc1 ZINC000003043954 552274677 /nfs/dbraw/zinc/27/46/77/552274677.db2.gz PRTMMYOOQOELOT-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 ZINC000003044017 552274883 /nfs/dbraw/zinc/27/48/83/552274883.db2.gz DPFRPPGNRDUDKS-SLMZUGIISA-N 0 0 527.875 5.902 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)cc1C ZINC000003044106 552275110 /nfs/dbraw/zinc/27/51/10/552275110.db2.gz HWBFFWBUZUHHKV-IADYIPOJSA-N 0 0 545.865 6.096 50 30 KKEARN Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(C)c3)c3cc(Br)ccc32)c1 ZINC000003044209 552275192 /nfs/dbraw/zinc/27/51/92/552275192.db2.gz PCLZGOTUSJZJLX-OLFWJLLRSA-N 0 0 521.484 5.920 50 30 KKEARN CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000003044323 552275401 /nfs/dbraw/zinc/27/54/01/552275401.db2.gz KSPNQRDZVZSDGO-FAJYDZGRSA-N 0 0 525.447 5.697 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 ZINC000003044303 552275411 /nfs/dbraw/zinc/27/54/11/552275411.db2.gz LHKWMVXUQRXAEZ-SLMZUGIISA-N 0 0 511.420 5.388 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 ZINC000003044344 552275422 /nfs/dbraw/zinc/27/54/22/552275422.db2.gz IYZGAKGIEVXLJY-IADYIPOJSA-N 0 0 555.429 5.002 50 30 KKEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccc(Cl)cc2Cl)c1Sc1ccc(Cl)cc1 ZINC000003052437 552278830 /nfs/dbraw/zinc/27/88/30/552278830.db2.gz OVEFOVXCWJUBAG-JQAMDZJQSA-N 0 0 508.736 6.741 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000003066657 552285050 /nfs/dbraw/zinc/28/50/50/552285050.db2.gz ODISRUJSLIJVGD-BHGWPJFGSA-N 0 0 502.162 6.485 50 30 KKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2OC(=O)c2ccc(OC)cc2)cc1 ZINC000003082613 552285497 /nfs/dbraw/zinc/28/54/97/552285497.db2.gz BZDJNWXXDOEZAB-ZCTHSVRISA-N 0 0 511.530 5.901 50 30 biogenic KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Cl)cc3)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000003082605 552285549 /nfs/dbraw/zinc/28/55/49/552285549.db2.gz FCAGYUYWLOZDJY-FDAWAROLSA-N 0 0 515.949 6.546 50 30 KKEARN Cc1ccc(C(=O)Oc2c(Br)cc(/C=N/c3ccc(Br)cc3)cc2Br)cc1 ZINC000003082786 552285566 /nfs/dbraw/zinc/28/55/66/552285566.db2.gz SCERRMSZDYMIRD-BRJLIKDPSA-N 0 0 552.060 7.252 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1ccc(-c2ccc(/N=C/c3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000003079706 552285597 /nfs/dbraw/zinc/28/55/97/552285597.db2.gz MXVBJRKACYJQLA-ZXHXELASSA-N 0 0 540.616 6.906 50 30 KKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5Cl)nc4c3)o2)cc1Cl ZINC000003083330 552285826 /nfs/dbraw/zinc/28/58/26/552285826.db2.gz KQOAPFZVBRKBDO-XKJRVUDJSA-N 0 0 502.184 9.119 50 30 KKEARN Clc1cccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(I)cc5)o4)ccc3o2)c1Cl ZINC000003083332 552285837 /nfs/dbraw/zinc/28/58/37/552285837.db2.gz JCDHJAAIDYOFDB-XODNFHPESA-N 0 0 559.190 8.417 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003084995 552286106 /nfs/dbraw/zinc/28/61/06/552286106.db2.gz AYSPZHFYXOQPCX-FOKLQQMPSA-N 0 0 519.136 6.318 50 30 KKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5ccc(C)cc5C)cc4)cc3)cc2)c(C)c1 ZINC000003089500 552286298 /nfs/dbraw/zinc/28/62/98/552286298.db2.gz QLGWMXHNBWLREN-DBMXBCQFSA-N 0 0 580.684 8.860 50 30 KKEARN O=C(Oc1ccc(/C=N/c2cccc(C(=O)c3ccc(F)cc3)c2)cc1)c1cccc(Br)c1 ZINC000003090529 552286689 /nfs/dbraw/zinc/28/66/89/552286689.db2.gz QUTCJLMDHLLIMZ-OCSSWDANSA-N 0 0 502.339 6.789 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000003094408 552286975 /nfs/dbraw/zinc/28/69/75/552286975.db2.gz NBBMVMNUIQDVOB-LJAQVGFWSA-N 0 0 515.650 6.364 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000003094418 552286996 /nfs/dbraw/zinc/28/69/96/552286996.db2.gz WNXUZHVSQZLKEZ-LJAQVGFWSA-N 0 0 517.666 6.612 50 30 KKEARN Brc1cccc(-c2nc3cc(/N=C/c4ccc(I)cc4)ccc3o2)c1 ZINC000003096664 552287268 /nfs/dbraw/zinc/28/72/68/552287268.db2.gz LIXAGWJDDVWFCO-FSJBWODESA-N 0 0 503.137 6.613 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000003098501 552287724 /nfs/dbraw/zinc/28/77/24/552287724.db2.gz GDJHKJCJHNZPKZ-DICHSLLOSA-N 0 0 521.657 6.971 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2I)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098423 552287737 /nfs/dbraw/zinc/28/77/37/552287737.db2.gz UFVCEEKLEKIPFP-JOCHJYFZSA-N 0 0 519.423 5.771 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000003098505 552287947 /nfs/dbraw/zinc/28/79/47/552287947.db2.gz UBXNYLHAUUMADF-VVFBEHOQSA-N 0 0 523.629 5.817 50 30 KKEARN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003105548 552288736 /nfs/dbraw/zinc/28/87/36/552288736.db2.gz GOOLPBWHLWGZGV-VAWYXSNFSA-N 0 0 540.903 5.929 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000003112690 552289584 /nfs/dbraw/zinc/28/95/84/552289584.db2.gz GXIMYRIRWPQVAD-ZHSUKTGHSA-N 0 0 593.677 9.143 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5cc(Cl)ccc5Cl)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003115278 552290398 /nfs/dbraw/zinc/29/03/98/552290398.db2.gz AKJDUKYLTCNWGB-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN Cc1cc(Sc2nc(N[C@@](C)(C#N)C(C)C)nc(Sc3cc(C)c(Cl)cc3Cl)n2)c(Cl)cc1Cl ZINC000003118305 552290652 /nfs/dbraw/zinc/29/06/52/552290652.db2.gz IFLDVRCASKENNY-QHCPKHFHSA-N 0 0 573.402 8.755 50 30 KKEARN Cc1cc(C(C)(C)c2ccc(Oc3ccc(C#N)c(C#N)c3)c(C)c2)ccc1Oc1ccc(C#N)c(C#N)c1 ZINC000003123145 552291079 /nfs/dbraw/zinc/29/10/79/552291079.db2.gz GIQKPTWXMAKFHE-UHFFFAOYSA-N 0 0 508.581 7.701 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@@]2(Nc3ccc(C)c(C)c3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000003123208 552291118 /nfs/dbraw/zinc/29/11/18/552291118.db2.gz HWOOIYDEYJJGFP-FQEVSTJZSA-N 0 0 591.171 6.318 50 30 KKEARN C=CCn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCc1ccc(C(F)(F)F)cc1 ZINC000003125398 552291621 /nfs/dbraw/zinc/29/16/21/552291621.db2.gz BVKJIFSGYGWUPS-UHFFFAOYSA-N 0 0 547.422 5.016 50 30 KKEARN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000003133793 552293005 /nfs/dbraw/zinc/29/30/05/552293005.db2.gz IISBTUPQHZEUCQ-UHFFFAOYSA-N 0 0 517.869 6.594 50 30 KKEARN O=S(=O)(O/N=C(/c1cccnc1)c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl ZINC000003134917 552293300 /nfs/dbraw/zinc/29/33/00/552293300.db2.gz DWLRZTGHZMQDLW-YUMHPJSZSA-N 0 0 510.708 5.614 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000003137810 552293789 /nfs/dbraw/zinc/29/37/89/552293789.db2.gz JVRXLMQMDZLJRM-UHFFFAOYSA-N 0 0 552.258 7.742 50 30 KKEARN Nc1cccc(Oc2c(F)c(F)c(Oc3c(F)c(F)c(Oc4cccc(N)c4)c(F)c3F)c(F)c2F)c1 ZINC000003143323 552295888 /nfs/dbraw/zinc/29/58/88/552295888.db2.gz MZLSTWKBGTYRSC-UHFFFAOYSA-N 0 0 528.355 7.341 50 30 KKEARN C=C(C)C(=O)Oc1ccc(Oc2c(F)c(F)c(Oc3ccc(OC(=O)C(=C)C)cc3)c(F)c2F)cc1 ZINC000003143383 552295891 /nfs/dbraw/zinc/29/58/91/552295891.db2.gz CRVVFJYDOGODTL-UHFFFAOYSA-N 0 0 502.416 6.791 50 30 KKEARN C(=Nc1ccc(-c2nc3cc(-c4nc5cc(N=Cc6ccccn6)ccc5[nH]4)ccc3[nH]2)cc1)c1ccccn1 ZINC000003143501 552296198 /nfs/dbraw/zinc/29/61/98/552296198.db2.gz BBIXPTKZJPMOPB-CQFWSYKGSA-N 0 0 518.584 7.064 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)cc2)ccc1Cl ZINC000003193339 552302592 /nfs/dbraw/zinc/30/25/92/552302592.db2.gz VUABLYCTNNYYRU-RVSCTIAXSA-N 0 0 533.371 7.902 50 30 KKEARN Cc1c(Sc2ccc([N+](=O)[O-])cc2)c2ccccn2c1/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 ZINC000003193978 552302894 /nfs/dbraw/zinc/30/28/94/552302894.db2.gz HUESKUUNZRTZFG-SOYKGTTHSA-N 0 0 533.656 6.595 50 30 KKEARN C=C1[C@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)[C@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003193444 552302902 /nfs/dbraw/zinc/30/29/02/552302902.db2.gz UFHKYZOZWNWUPL-ACHIHNKUSA-N 0 0 526.640 7.322 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000003208260 552305084 /nfs/dbraw/zinc/30/50/84/552305084.db2.gz GBFNHEIXKLVIEV-BHGWPJFGSA-N 0 0 502.162 6.485 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000003221454 552310393 /nfs/dbraw/zinc/31/03/93/552310393.db2.gz CAOGCIHLBDCWMW-UHFFFAOYSA-N 0 0 538.460 6.289 50 30 KKEARN CC(C)N(C(=O)CSc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3)c1ccccc1 ZINC000003251690 552322423 /nfs/dbraw/zinc/32/24/23/552322423.db2.gz VMEYHTPVNNTGLF-OKCVXOCRSA-N 0 0 534.682 5.892 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000003253883 552323499 /nfs/dbraw/zinc/32/34/99/552323499.db2.gz SHVFJRQVRCRFEY-SFHVURJKSA-N 0 0 547.460 5.409 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)/C=C/c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003256287 552324155 /nfs/dbraw/zinc/32/41/55/552324155.db2.gz XHFNLJWPEIKDKL-CAOOACKPSA-N 0 0 508.530 5.698 50 30 KKEARN COc1ccc(OC)c(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nc3ccccc3c2=O)c1 ZINC000003262337 552327061 /nfs/dbraw/zinc/32/70/61/552327061.db2.gz ABEBVMMWFOQXNS-JVWAILMASA-N 0 0 527.646 5.376 50 30 KKEARN Cc1sc(NC(=O)CSc2nc3sc(C)c(-c4ccc(Cl)cc4)c3c(=O)n2-c2ccccc2)c(C#N)c1C ZINC000003267246 552329907 /nfs/dbraw/zinc/32/99/07/552329907.db2.gz LBZNFMVPFNSOKK-UHFFFAOYSA-N 0 0 577.156 7.357 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000003269811 552331585 /nfs/dbraw/zinc/33/15/85/552331585.db2.gz IXPBJQROILJKGX-UHFFFAOYSA-N 0 0 553.427 5.115 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000003281532 552336181 /nfs/dbraw/zinc/33/61/81/552336181.db2.gz GKEFFHQUKYSJTJ-UHFFFAOYSA-N 0 0 551.495 7.218 50 30 KKEARN Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C(F)(F)F)c2)c1 ZINC000003298490 552344943 /nfs/dbraw/zinc/34/49/43/552344943.db2.gz WQDBBKYMQIGRDL-UHFFFAOYSA-N 0 0 552.443 5.852 50 30 KKEARN N#Cc1ccc(C(=O)Nc2cc(Cl)c(-c3cc(Cl)c(NC(=O)c4ccc(C#N)cc4)cc3Cl)cc2Cl)cc1 ZINC000003299030 552345143 /nfs/dbraw/zinc/34/51/43/552345143.db2.gz XVICLNXIMOIXDZ-UHFFFAOYSA-N 0 0 580.258 8.215 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc3c(c2)OCO3)c1 ZINC000003306321 552349169 /nfs/dbraw/zinc/34/91/69/552349169.db2.gz JWXBADZERBMNGN-UHFFFAOYSA-N 0 0 539.915 5.688 50 30 KKEARN COc1ccc(-c2cc(C(=O)Nc3oc(-c4ccco4)c(-c4ccco4)c3C#N)c3ccccc3n2)cc1OC ZINC000003306526 552349191 /nfs/dbraw/zinc/34/91/91/552349191.db2.gz UFLYCKWVPNPNKX-UHFFFAOYSA-N 0 0 531.524 7.156 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000003309965 552351480 /nfs/dbraw/zinc/35/14/80/552351480.db2.gz XOMDQZISDFGHSV-UHFFFAOYSA-N 0 0 552.958 5.536 50 30 KKEARN Cc1ccc(-c2oc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000003310300 552351487 /nfs/dbraw/zinc/35/14/87/552351487.db2.gz BVLXPNWUNLIXQE-UHFFFAOYSA-N 0 0 525.630 6.139 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(CC)cc2)c1 ZINC000003311357 552351890 /nfs/dbraw/zinc/35/18/90/552351890.db2.gz KVVAZNNZJVKIJO-UHFFFAOYSA-N 0 0 531.552 5.689 50 30 KKEARN N#Cc1c2c(sc1NC(=O)COC(=O)/C=C/c1cn(-c3ccccc3)nc1-c1cccs1)CCCC2 ZINC000003314226 552352948 /nfs/dbraw/zinc/35/29/48/552352948.db2.gz WYVGNSRLODXFIR-OUKQBFOZSA-N 0 0 514.632 5.608 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc2sc3c(c2c1=O)CCCCC3 ZINC000003326044 552357010 /nfs/dbraw/zinc/35/70/10/552357010.db2.gz MPQRJLBTZGUERO-UHFFFAOYSA-N 0 0 523.749 6.416 50 30 KKEARN N#CCCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000003335823 552361083 /nfs/dbraw/zinc/36/10/83/552361083.db2.gz FZCQKLYJKNRNPL-LFIBNONCSA-N 0 0 534.547 5.928 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000003338673 552361921 /nfs/dbraw/zinc/36/19/21/552361921.db2.gz PDUUTCAXEYVMKE-JOCHJYFZSA-N 0 0 526.083 6.395 50 30 KKEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)c1 ZINC000003355325 552368790 /nfs/dbraw/zinc/36/87/90/552368790.db2.gz HDODYRXJOREXIU-AREMUKBSSA-N 0 0 525.634 5.436 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000003370369 552375034 /nfs/dbraw/zinc/37/50/34/552375034.db2.gz UOCBRFWYRPZMLC-UHFFFAOYSA-N 0 0 507.880 5.824 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3oc4ccccc4c3COc3ccccc3)sc2C1 ZINC000003375992 552376341 /nfs/dbraw/zinc/37/63/41/552376341.db2.gz QCYGEEUVKUYYPU-KRWDZBQOSA-N 0 0 500.576 5.865 50 30 KKEARN N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000003376525 552376554 /nfs/dbraw/zinc/37/65/54/552376554.db2.gz NEJXLVLDRYAIOL-UHFFFAOYSA-N 0 0 501.995 5.859 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003422782 552383856 /nfs/dbraw/zinc/38/38/56/552383856.db2.gz MCOAAYRSOSJORD-AREMUKBSSA-N 0 0 511.043 5.537 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003422779 552383882 /nfs/dbraw/zinc/38/38/82/552383882.db2.gz MCOAAYRSOSJORD-SANMLTNESA-N 0 0 511.043 5.537 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000003432219 552385603 /nfs/dbraw/zinc/38/56/03/552385603.db2.gz ZRHYYENQVLUUEA-OUKQBFOZSA-N 0 0 523.058 5.599 50 30 KKEARN COc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000003626615 552395665 /nfs/dbraw/zinc/39/56/65/552395665.db2.gz ORRTTWFWDJHESJ-SANMLTNESA-N 0 0 500.517 5.033 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000003626899 552395870 /nfs/dbraw/zinc/39/58/70/552395870.db2.gz YWNZHLKUAKVBAZ-AREMUKBSSA-N 0 0 566.960 5.087 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(F)cc1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000003629152 552396136 /nfs/dbraw/zinc/39/61/36/552396136.db2.gz RJEDTZPYELLCAQ-DEOSSOPVSA-N 0 0 508.899 5.196 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000003629163 552396146 /nfs/dbraw/zinc/39/61/46/552396146.db2.gz JYEVRVAMUHBXDT-FPNNDXFKSA-N 0 0 584.644 5.362 50 30 KKEARN Cc1cccc(C)c1-n1c2nc(SCC#N)n(-c3ccc(Br)cc3)c(=O)c2sc1=S ZINC000003629863 552396923 /nfs/dbraw/zinc/39/69/23/552396923.db2.gz MSXFUCWEOIOYCD-UHFFFAOYSA-N 0 0 515.483 5.962 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1 ZINC000003633827 552398743 /nfs/dbraw/zinc/39/87/43/552398743.db2.gz CMBSTDIJTZALQO-DHUJRADRSA-N 0 0 521.660 9.189 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000003640013 552399601 /nfs/dbraw/zinc/39/96/01/552399601.db2.gz CAPWOQQLWJDGPG-CLYVBNDRSA-N 0 0 572.123 6.024 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000003639960 552399652 /nfs/dbraw/zinc/39/96/52/552399652.db2.gz CTDMWNOQPYRITM-PEBXRYMYSA-N 0 0 520.420 5.201 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000003640149 552399908 /nfs/dbraw/zinc/39/99/08/552399908.db2.gz IUGXEQSYTBOJHE-CYFREDJKSA-N 0 0 511.665 5.193 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000003643378 552400427 /nfs/dbraw/zinc/40/04/27/552400427.db2.gz FCELEBBWWMTHQU-JOCHJYFZSA-N 0 0 532.574 5.058 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000003643542 552400927 /nfs/dbraw/zinc/40/09/27/552400927.db2.gz FXOYZAMLPOHASO-QFIPXVFZSA-N 0 0 532.574 5.058 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)cc2)nc1C ZINC000003643541 552400944 /nfs/dbraw/zinc/40/09/44/552400944.db2.gz FWIBAKSKGWEBHJ-OAQYLSRUSA-N 0 0 502.548 5.049 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OCC)c2)nc1C ZINC000003643627 552401153 /nfs/dbraw/zinc/40/11/53/552401153.db2.gz XDSXGUISQRVRKE-NRFANRHFSA-N 0 0 502.548 5.049 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2sc3c(c2c1=O)CCCC3 ZINC000003655241 552403972 /nfs/dbraw/zinc/40/39/72/552403972.db2.gz FNAQTCNZMYYPAR-UHFFFAOYSA-N 0 0 509.682 5.081 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]21 ZINC000003656971 552405349 /nfs/dbraw/zinc/40/53/49/552405349.db2.gz LUEUQNCDVDLZHG-GVAUOCQISA-N 0 0 561.810 6.229 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1 ZINC000003663891 552408104 /nfs/dbraw/zinc/40/81/04/552408104.db2.gz MAGABBVFGDACBQ-FQEVSTJZSA-N 0 0 501.446 5.491 50 30 KKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OCc2ccc(Cl)cc2)c1 ZINC000003664302 552408267 /nfs/dbraw/zinc/40/82/67/552408267.db2.gz TUPDTCPNTQSZKJ-PGUFJCEWSA-N 0 0 565.157 9.228 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000003664006 552408362 /nfs/dbraw/zinc/40/83/62/552408362.db2.gz PFTYUNFMMGXGKB-BHGWPJFGSA-N 0 0 581.298 7.412 50 30 KKEARN Cn1ccnc1Sc1ccc(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)cc1[N+](=O)[O-] ZINC000003666008 552408995 /nfs/dbraw/zinc/40/89/95/552408995.db2.gz LVEBZYKCRBGPST-CCVNUDIWSA-N 0 0 596.557 7.895 50 30 KKEARN CCOc1cc(C2=C3C(=O)CC(C)(C)C[C@@H]3c3c(ccc4ccccc43)N2)cc(I)c1OC ZINC000003667127 552409528 /nfs/dbraw/zinc/40/95/28/552409528.db2.gz AXGMTEBPTKCBSL-LJQANCHMSA-N 0 0 553.440 7.161 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000003668407 552410004 /nfs/dbraw/zinc/41/00/04/552410004.db2.gz NXQWSBOODUJLAJ-FYJGNVAPSA-N 0 0 529.843 6.582 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000003668947 552410504 /nfs/dbraw/zinc/41/05/04/552410504.db2.gz DQKZYZOVIZDSJL-HZVMBZBSSA-N 0 0 503.602 7.637 50 30 KKEARN FC(F)(F)c1cccc(N2CN(c3cccc(C(F)(F)F)c3)CN(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000003671187 552412163 /nfs/dbraw/zinc/41/21/63/552412163.db2.gz MEJBMDLLHNWBFW-UHFFFAOYSA-N 0 0 519.411 7.449 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2cccc(Br)c2)cc1 ZINC000003672028 552412488 /nfs/dbraw/zinc/41/24/88/552412488.db2.gz HXWFUSIZJDJLQG-URAOTHONSA-N 0 0 510.431 7.678 50 30 KKEARN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1OCc1ccccc1F ZINC000003766291 552414587 /nfs/dbraw/zinc/41/45/87/552414587.db2.gz XRCBQIMRSKFGSE-CAQPMQTCSA-N 0 0 520.670 7.167 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000003771165 552416288 /nfs/dbraw/zinc/41/62/88/552416288.db2.gz DOCSMALMLZNSON-NRFANRHFSA-N 0 0 526.728 6.263 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@H]1C ZINC000003770946 552416313 /nfs/dbraw/zinc/41/63/13/552416313.db2.gz OTQILAZNYHDURK-BTYSJIOQSA-N 0 0 513.638 7.469 50 30 KKEARN CCOc1ccc(N2C(=O)C(=O)C3=C(c4ccccc4)Nc4ccccc4S[C@@]32c2ccccc2)cc1 ZINC000003772529 552417918 /nfs/dbraw/zinc/41/79/18/552417918.db2.gz SSBUITFAWKVOFJ-HKBQPEDESA-N 0 0 504.611 6.483 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000003892825 552421836 /nfs/dbraw/zinc/42/18/36/552421836.db2.gz INBXFALHNOAFLD-PMERELPUSA-N 0 0 534.612 6.750 50 30 KKEARN CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 ZINC000003943279 552423387 /nfs/dbraw/zinc/42/33/87/552423387.db2.gz KSGXQBZTULBEEQ-UHFFFAOYSA-N 0 0 627.746 5.603 50 30 fda KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5[nH]c6ccccc6c5C[C@]43C)[C@H]2C1 ZINC000004011508 552425797 /nfs/dbraw/zinc/42/57/97/552425797.db2.gz OBFXFIRRJYJXQD-IUZKTNCASA-N 0 0 555.803 8.335 50 30 biogenic KKEARN N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)nc1SCC(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000004046392 552431116 /nfs/dbraw/zinc/43/11/16/552431116.db2.gz BGLWOWUNOOBIOR-UHFFFAOYSA-N 0 0 572.642 7.293 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004048230 552431669 /nfs/dbraw/zinc/43/16/69/552431669.db2.gz AUUWJWBPKMUJBH-JIYROHSKSA-N 0 0 507.033 7.899 50 30 KKEARN Cc1ccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc(Br)cc2)cc1 ZINC000004063708 552431941 /nfs/dbraw/zinc/43/19/41/552431941.db2.gz XMYSKTVKUFHUPJ-RMEKRLHFSA-N 0 0 542.911 7.590 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000004065671 552432413 /nfs/dbraw/zinc/43/24/13/552432413.db2.gz OZYKUQUTYANVDW-QXNWPYRLSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000004065779 552432470 /nfs/dbraw/zinc/43/24/70/552432470.db2.gz KRTVRUGUIIJDLW-VVFBEHOQSA-N 0 0 523.629 6.199 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004067845 552433229 /nfs/dbraw/zinc/43/32/29/552433229.db2.gz AQLAIWANRXAKMY-FKAPRUDGSA-N 0 0 523.629 6.069 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000004082255 552433834 /nfs/dbraw/zinc/43/38/34/552433834.db2.gz FICSJMLXDXWSGV-JJCDCTGGSA-N 0 0 516.594 5.709 50 30 KKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000004082627 552434175 /nfs/dbraw/zinc/43/41/75/552434175.db2.gz CGQMHJHGBQLKRT-JCOAXYOVSA-N 0 0 514.622 6.481 50 30 KKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000004082630 552434185 /nfs/dbraw/zinc/43/41/85/552434185.db2.gz CGQMHJHGBQLKRT-BGOLNKOXSA-N 0 0 514.622 6.481 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c(C)c1 ZINC000004088363 552434387 /nfs/dbraw/zinc/43/43/87/552434387.db2.gz SJXDWIVEKMYDFP-GROPNIIDSA-N 0 0 514.720 7.328 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc(Br)cc2)N(CCc2ccccc2)C1=O ZINC000004089408 552434635 /nfs/dbraw/zinc/43/46/35/552434635.db2.gz BYHBJKRSDJEFPF-ILRPLKKTSA-N 0 0 556.938 7.319 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc3ccccc32)N(CCc2ccccc2)C1=O ZINC000004089413 552434726 /nfs/dbraw/zinc/43/47/26/552434726.db2.gz UFDMFPJZMXFQQD-HEOGJXGISA-N 0 0 528.102 7.710 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc(N3CCOCC3)cc2)N(CCc2ccccc2)C1=O ZINC000004091162 552435407 /nfs/dbraw/zinc/43/54/07/552435407.db2.gz HKEFVURBOBNNAO-HEOGJXGISA-N 0 0 563.148 6.393 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3cccc(C(C)=O)c3)N(CCc3ccccc3)C1=O)S2 ZINC000004092352 552435861 /nfs/dbraw/zinc/43/58/61/552435861.db2.gz NLTMNHSFFUJGIJ-BZUZNSEFSA-N 0 0 515.660 6.115 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c(C)c1 ZINC000004105684 552436962 /nfs/dbraw/zinc/43/69/62/552436962.db2.gz LTJHRLJQXALVJH-HGHKWBERSA-N 0 0 518.683 7.159 50 30 KKEARN O=C1c2ccccc2[C@H]2S/C(=C\c3cccc(Oc4ccc(Cl)cc4)c3)C(=O)c3ccsc3CN12 ZINC000004108866 552437380 /nfs/dbraw/zinc/43/73/80/552437380.db2.gz UOJOYIAEXOUTJP-UMKNAPPCSA-N 0 0 516.043 7.819 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000004112881 552438396 /nfs/dbraw/zinc/43/83/96/552438396.db2.gz XVILIZUBPRVBOF-ZDNACQEKSA-N 0 0 533.665 6.196 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004112655 552438429 /nfs/dbraw/zinc/43/84/29/552438429.db2.gz QHYXCHWZBFOCMQ-RBISFHTESA-N 0 0 508.058 6.690 50 30 KKEARN CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3O)cc2)CC1 ZINC000004121813 552439494 /nfs/dbraw/zinc/43/94/94/552439494.db2.gz IZXYXMHEFXMGFU-TWKHWXDSSA-N 0 0 520.471 5.945 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)c3ccccc3Br)cc2)c1O ZINC000004181472 552446652 /nfs/dbraw/zinc/44/66/52/552446652.db2.gz QUBIBRYLIYWZRF-OPEKNORGSA-N 0 0 583.074 6.691 50 30 KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000004196324 552448142 /nfs/dbraw/zinc/44/81/42/552448142.db2.gz OGYJTAWUPJFVJE-UXHLAJHPSA-N 0 0 521.842 7.862 50 30 KKEARN O=S(=O)(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004282064 552455862 /nfs/dbraw/zinc/45/58/62/552455862.db2.gz JDDBYUSATJLUEV-TWKHWXDSSA-N 0 0 508.603 5.431 50 30 KKEARN CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc2OC)cc1 ZINC000004360396 552458220 /nfs/dbraw/zinc/45/82/20/552458220.db2.gz UYKKDMUSDZIDIS-OGLMXYFKSA-N 0 0 512.031 6.067 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004531503 552463459 /nfs/dbraw/zinc/46/34/59/552463459.db2.gz XNUIOMJMFRIAHR-YTAHCYASSA-N 0 0 529.636 6.418 50 30 KKEARN N#C[C@@]1(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004531592 552463656 /nfs/dbraw/zinc/46/36/56/552463656.db2.gz PKQURABDFALHKK-TXTSNRKZSA-N 0 0 637.006 9.766 50 30 KKEARN Ic1cccc(C=Nc2ccc(N=Cc3cccc(I)c3)cc2)c1 ZINC000004551939 552465961 /nfs/dbraw/zinc/46/59/61/552465961.db2.gz XPIVGIUCFTUCHD-UHFFFAOYSA-N 0 0 536.154 6.397 50 30 KKEARN O[C@@H](C#CC#C[C@@H](O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004552076 552466449 /nfs/dbraw/zinc/46/64/49/552466449.db2.gz NRPMJYIZFDHEAB-ZRKBJOGQSA-N 0 0 594.754 7.784 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000004635458 552469471 /nfs/dbraw/zinc/46/94/71/552469471.db2.gz BCZGPLZVQHPJLZ-XBBWARJSSA-N 0 0 530.571 5.982 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1 ZINC000004635178 552469494 /nfs/dbraw/zinc/46/94/94/552469494.db2.gz SKUVHIXPIKSNIU-DEOSSOPVSA-N 0 0 535.825 6.405 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004636127 552469823 /nfs/dbraw/zinc/46/98/23/552469823.db2.gz MHQPYUJMTMQVDE-UZTOHYMASA-N 0 0 514.528 5.694 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000004641152 552470048 /nfs/dbraw/zinc/47/00/48/552470048.db2.gz KQALCLSTZOMBTH-QHCPKHFHSA-N 0 0 503.023 7.030 50 30 KKEARN CCn1c2ccccc2c2cc(/C=C3\CCC/C(=C\c4ccc5c(c4)c4ccccc4n5CC)C3=O)ccc21 ZINC000004762426 552479403 /nfs/dbraw/zinc/47/94/03/552479403.db2.gz FJGMKHHWFGTWPG-CRYYDKFDSA-N 0 0 508.665 9.162 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004788231 552482717 /nfs/dbraw/zinc/48/27/17/552482717.db2.gz NWEYUORBMKDAQU-JIYROHSKSA-N 0 0 567.686 5.779 50 30 KKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000004793575 552485271 /nfs/dbraw/zinc/48/52/71/552485271.db2.gz ACRYYQZNGRMBJX-JOCHJYFZSA-N 0 0 550.522 6.642 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355809 552498993 /nfs/dbraw/zinc/49/89/93/552498993.db2.gz IKOCUOUMZXEMND-AREMUKBSSA-N 0 0 568.651 6.299 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357377 552499624 /nfs/dbraw/zinc/49/96/24/552499624.db2.gz 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IPAYMHJCVHENJW-HRFSGMKKSA-N 0 0 529.731 6.818 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000005928537 552513112 /nfs/dbraw/zinc/51/31/12/552513112.db2.gz IPAYMHJCVHENJW-NFQMXDRXSA-N 0 0 529.731 6.818 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccncc3)C2)cc1 ZINC000005944502 552514596 /nfs/dbraw/zinc/51/45/96/552514596.db2.gz NADIXNQVDDVWMY-UBOZLPQGSA-N 0 0 527.668 7.594 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000005944487 552514728 /nfs/dbraw/zinc/51/47/28/552514728.db2.gz HHHBYMJZJYDXGC-FEERPNRMSA-N 0 0 591.151 8.861 50 30 KKEARN CCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000005947619 552515839 /nfs/dbraw/zinc/51/58/39/552515839.db2.gz GDRLUEGYUXVLDQ-UHFFFAOYSA-N 0 0 547.464 5.530 50 30 KKEARN COc1ccc(C(C)=O)cc1CSC(=Nc1cccc(Cl)c1Cl)NS(=O)(=O)c1ccccc1 ZINC000006013584 552518750 /nfs/dbraw/zinc/51/87/50/552518750.db2.gz 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/nfs/dbraw/zinc/55/26/71/552552671.db2.gz PBAKZWMTJGXHJA-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000006157008 552552683 /nfs/dbraw/zinc/55/26/83/552552683.db2.gz UIGAPIACKPWHBD-UHFFFAOYSA-N 0 0 527.649 7.753 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 ZINC000006157001 552552703 /nfs/dbraw/zinc/55/27/03/552552703.db2.gz SSSAJGIRACWMAL-OGVWKLGRSA-N 0 0 502.614 7.254 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCCCC3(c4ccc(F)cc4)OCCO3)c2C#N)cc1 ZINC000006157142 552553164 /nfs/dbraw/zinc/55/31/64/552553164.db2.gz XZKPLBSDMZSIHU-UHFFFAOYSA-N 0 0 526.633 7.207 50 30 KKEARN Cc1ccc(S(=O)(=O)NC2=C(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000006161724 552554372 /nfs/dbraw/zinc/55/43/72/552554372.db2.gz IDIWXAKKXYYJAM-TZHWMEPESA-N 0 0 555.578 5.089 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162089 552554902 /nfs/dbraw/zinc/55/49/02/552554902.db2.gz ZISUGDMAELGVMF-RCRUUEGKSA-N 0 0 533.665 6.196 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162108 552555118 /nfs/dbraw/zinc/55/51/18/552555118.db2.gz NZLXIULSFXFGBE-PIIWDFAUSA-N 0 0 505.611 5.417 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000006162485 552555194 /nfs/dbraw/zinc/55/51/94/552555194.db2.gz VZTUGBMUMDHERL-NGOKVRLYSA-N 0 0 521.610 5.036 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006196050 552568176 /nfs/dbraw/zinc/56/81/76/552568176.db2.gz HNTHLRPVSMFUGY-PIIWDFAUSA-N 0 0 521.610 5.121 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006196056 552568188 /nfs/dbraw/zinc/56/81/88/552568188.db2.gz JVDAOYWXPIQZNT-ONOMSOESSA-N 0 0 535.637 5.369 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006195970 552568199 /nfs/dbraw/zinc/56/81/99/552568199.db2.gz HNTHLRPVSMFUGY-NGOKVRLYSA-N 0 0 521.610 5.121 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000006245738 552574332 /nfs/dbraw/zinc/57/43/32/552574332.db2.gz MJQHOQBOOUWNII-UHFFFAOYSA-N 0 0 546.095 8.706 50 30 KKEARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006246204 552574778 /nfs/dbraw/zinc/57/47/78/552574778.db2.gz GFTJPRCAIZAEAF-HXUWFJFHSA-N 0 0 526.061 7.571 50 30 KKEARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006246133 552574797 /nfs/dbraw/zinc/57/47/97/552574797.db2.gz GFTJPRCAIZAEAF-FQEVSTJZSA-N 0 0 526.061 7.571 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000006287520 552578422 /nfs/dbraw/zinc/57/84/22/552578422.db2.gz GMZWTFPUAKFHIR-WNSROMTISA-N 0 0 561.657 7.115 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000006304402 552580671 /nfs/dbraw/zinc/58/06/71/552580671.db2.gz LWOGOHBSVIGFHK-JIYROHSKSA-N 0 0 594.689 6.766 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000006442946 552585380 /nfs/dbraw/zinc/58/53/80/552585380.db2.gz DBDUBILUJKEQGK-MNNSJKJDSA-N 0 0 501.623 5.860 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3cccc(C)c3C)n2)cc1 ZINC000006443187 552585533 /nfs/dbraw/zinc/58/55/33/552585533.db2.gz KQTDOMNYTZZUCY-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000006467849 552591613 /nfs/dbraw/zinc/59/16/13/552591613.db2.gz HJBKGPAPNQDLLT-PXJZQJOASA-N 0 0 568.651 5.455 50 30 KKEARN Clc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000006473875 552592017 /nfs/dbraw/zinc/59/20/17/552592017.db2.gz JLWVXVZIABBVDE-RDRPBHBLSA-N 0 0 516.005 5.130 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)cc1 ZINC000006474411 552592650 /nfs/dbraw/zinc/59/26/50/552592650.db2.gz QXIBNVNIFAIXJU-UXHLAJHPSA-N 0 0 508.375 7.990 50 30 KKEARN CCN(CC)c1nc(N=NCc2cc(Br)cc(Br)c2OC)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000006512256 552597834 /nfs/dbraw/zinc/59/78/34/552597834.db2.gz MBJYWKYEKJEYGX-RPPGKUMJSA-N 0 0 597.743 6.403 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3)S2)c1 ZINC000006631330 552606472 /nfs/dbraw/zinc/60/64/72/552606472.db2.gz NHXOFBMRYZZUBL-XDNZSQCXSA-N 0 0 533.650 5.306 50 30 KKEARN CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1C[NH+]1CC(C(=O)[O-])C1 ZINC000006717453 552972407 /nfs/dbraw/zinc/97/24/07/552972407.db2.gz KIHYPELVXPAIDH-HNSNBQBZSA-N 0 0 516.604 6.773 50 30 investigational KKEARN CCCCCCCCCCCC(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)CCCCCCCCCCC)ccc1C21OC(=O)c2ccccc21 ZINC000008214567 552984448 /nfs/dbraw/zinc/98/44/48/552984448.db2.gz MYTRGBGGRICZGN-UHFFFAOYSA-N 0 0 696.925 11.907 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000008214639 552984515 /nfs/dbraw/zinc/98/45/15/552984515.db2.gz ZXCIEWBDUAPBJF-MUUNZHRXSA-O 0 0 552.754 7.036 50 30 in-vitro KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008383544 552987134 /nfs/dbraw/zinc/98/71/34/552987134.db2.gz UEEMPANMROSHCK-MHZLTWQESA-N 0 0 514.578 5.200 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008384109 552988790 /nfs/dbraw/zinc/98/87/90/552988790.db2.gz SFHWSXDMRLTJNS-JBIRMXNASA-N 0 0 628.581 9.377 50 30 KKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)C2=C1CC(C)(C)CC2=O ZINC000008384296 552989181 /nfs/dbraw/zinc/98/91/81/552989181.db2.gz JRNVUKQNMVBANP-UHFFFAOYSA-N 0 0 685.618 8.504 50 30 KKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000008384297 552989320 /nfs/dbraw/zinc/98/93/20/552989320.db2.gz CYQZDCBSFOZJHJ-UHFFFAOYSA-N 0 0 675.491 9.439 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OS(=O)(=O)c1ccccc1 ZINC000008384736 552989798 /nfs/dbraw/zinc/98/97/98/552989798.db2.gz LERCUMWKJSEVRK-MZJWZYIUSA-N 0 0 548.473 6.729 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@H](CC(=O)Nc4cc(Cl)ccc4C)C(=O)N3CC)ccc21 ZINC000008385184 552990673 /nfs/dbraw/zinc/99/06/73/552990673.db2.gz LGFVGNAQZTZZHA-YWFCIECYSA-N 0 0 519.070 6.756 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(Br)cc(Br)c4)nc3c2)c1O ZINC000008386017 552991543 /nfs/dbraw/zinc/99/15/43/552991543.db2.gz DTYNSEHGLBJHJT-KIBLKLHPSA-N 0 0 581.058 7.247 50 30 KKEARN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008395851 552993971 /nfs/dbraw/zinc/99/39/71/552993971.db2.gz XEIINHVRVCMCLF-QNKGDIEWSA-N 0 0 538.717 6.874 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008395891 552994138 /nfs/dbraw/zinc/99/41/38/552994138.db2.gz XXDMQVPRWDJINV-LHOSBTIMSA-N 0 0 692.193 6.057 50 30 KKEARN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000008395866 552994190 /nfs/dbraw/zinc/99/41/90/552994190.db2.gz XNFSMZLKIZLBQC-JVWAILMASA-N 0 0 515.585 6.843 50 30 KKEARN COCCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N\c1ccccc1 ZINC000008396093 552994603 /nfs/dbraw/zinc/99/46/03/552994603.db2.gz XJFSOYIJQLBQAK-XZXOCULKSA-N 0 0 501.098 7.193 50 30 KKEARN CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000008396080 552994628 /nfs/dbraw/zinc/99/46/28/552994628.db2.gz YYPKXJIMYHBQSQ-HXJASHHUSA-N 0 0 548.402 5.585 50 30 KKEARN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000008396325 552995104 /nfs/dbraw/zinc/99/51/04/552995104.db2.gz HMMKFZBHLRWLBB-UHFFFAOYSA-N 0 0 612.188 6.830 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000008397294 552996417 /nfs/dbraw/zinc/99/64/17/552996417.db2.gz GCJRWHOESALLKO-VWLOTQADSA-N 0 0 540.447 9.826 50 30 KKEARN CCNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000008397640 552997355 /nfs/dbraw/zinc/99/73/55/552997355.db2.gz ZQMKBKDQDBQWLS-UHFFFAOYSA-N 0 0 560.183 6.153 50 30 KKEARN COc1ccc(/C=C2\SC(N/N=C3\C[C@H]4CC[C@]3(C)C4(C)C)=NC2=O)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000008397901 552997852 /nfs/dbraw/zinc/99/78/52/552997852.db2.gz DTBWFIZYEJOMEF-UNFPEPMWSA-N 0 0 592.976 7.997 50 30 KKEARN CCCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCC)c3ccccc3n2)nc2ccccc21 ZINC000008398129 552998299 /nfs/dbraw/zinc/99/82/99/552998299.db2.gz QZEJTWJABZMUCS-UHFFFAOYSA-N 0 0 540.704 8.704 50 30 KKEARN CCOc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1OCC#N ZINC000008398136 552998303 /nfs/dbraw/zinc/99/83/03/552998303.db2.gz FIGLBRNTFWXWDW-UHFFFAOYSA-N 0 0 642.554 5.526 50 30 KKEARN CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000008398325 552998723 /nfs/dbraw/zinc/99/87/23/552998723.db2.gz KBGAHRBTLFMCMF-NRFANRHFSA-N 0 0 551.153 5.530 50 30 KKEARN Cc1ccc(/N=C2C(=N\c3ccc(C)cc3)\N(C(=O)c3ccc(Cl)cc3)C(=S)N\2c2ccc(C)cc2)cc1 ZINC000008399324 553000807 /nfs/dbraw/zinc/00/08/07/553000807.db2.gz WRMHUZJZCNPHAR-NQMJWELOSA-N 0 0 537.088 7.973 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(OC)cc3)C(=Nc3ccccc3)N\2c2ccc(OC)cc2)cc1 ZINC000008399349 553000815 /nfs/dbraw/zinc/00/08/15/553000815.db2.gz QWDFMRZGFVQZEM-IDSUPUPASA-N 0 0 611.702 8.196 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(Br)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000008399328 553000827 /nfs/dbraw/zinc/00/08/27/553000827.db2.gz JAHDQYHJUTXWOK-VPROMNBDSA-N 0 0 601.526 7.547 50 30 KKEARN CCOc1ccc(C2=C(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000008400158 553003752 /nfs/dbraw/zinc/00/37/52/553003752.db2.gz HWYZKLULJQDWHD-YXKUTZLRSA-N 0 0 555.678 7.530 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000008400670 553005233 /nfs/dbraw/zinc/00/52/33/553005233.db2.gz INYVRIUTAXZTLF-JTGJOCGUSA-N 0 0 509.027 6.178 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O ZINC000008400740 553005380 /nfs/dbraw/zinc/00/53/80/553005380.db2.gz OROOJTIWJAHMDE-BKUYFWCQSA-N 0 0 574.493 5.625 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000008400734 553005386 /nfs/dbraw/zinc/00/53/86/553005386.db2.gz NEVBZRTURWPVFX-IMRQLAEWSA-N 0 0 606.140 7.087 50 30 KKEARN Cc1nn(-c2ccccc2)c(/N=C/c2cc(Br)ccc2O)c1-c1cccc(Br)c1 ZINC000008403757 553006503 /nfs/dbraw/zinc/00/65/03/553006503.db2.gz BBJOGPZHQBSKQO-VULFUBBASA-N 0 0 511.217 6.829 50 30 KKEARN Cc1ccccc1Nc1nc(N=NCc2c3ccccc3cc3ccccc32)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008402499 553006520 /nfs/dbraw/zinc/00/65/20/553006520.db2.gz CUUUXRGNBGGZEK-MZFJOGFUSA-N 0 0 540.587 7.328 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000008405377 553006966 /nfs/dbraw/zinc/00/69/66/553006966.db2.gz BNUSXBSOMXEZHQ-TWJQNCOXSA-N 0 0 527.580 6.111 50 30 KKEARN COc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]23)c1 ZINC000008406285 553007203 /nfs/dbraw/zinc/00/72/03/553007203.db2.gz PGSPKWPDQBXCGQ-RFLLQGDQSA-N 0 0 534.615 6.802 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008405848 553007243 /nfs/dbraw/zinc/00/72/43/553007243.db2.gz UGIUZBNHNCQRRB-YNPASXIJSA-N 0 0 777.551 9.186 50 30 KKEARN Cc1cc(I)ccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000008406019 553007251 /nfs/dbraw/zinc/00/72/51/553007251.db2.gz NQSJRMMAJPAAKT-UHFFFAOYSA-N 0 0 559.376 6.344 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000008406759 553007394 /nfs/dbraw/zinc/00/73/94/553007394.db2.gz FIYUVIPDEYPKFP-AXFZIHSKSA-N 0 0 512.609 6.265 50 30 KKEARN Cc1cccc(OCCOc2ccccc2C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000008407651 553008876 /nfs/dbraw/zinc/00/88/76/553008876.db2.gz OUIMFVHIUSNDKT-UQRQXUALSA-N 0 0 514.674 5.669 50 30 KKEARN Clc1ccc(SCCOc2cccc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)c2)cc1 ZINC000008407854 553009084 /nfs/dbraw/zinc/00/90/84/553009084.db2.gz PLCVVBIHOYUUGF-ZTKZIYFRSA-N 0 0 523.106 5.948 50 30 KKEARN Cc1cccc(OCCOc2ccc(Cl)cc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c1 ZINC000008407789 553009103 /nfs/dbraw/zinc/00/91/03/553009103.db2.gz BKYYQDVPUMXATN-TWKHWXDSSA-N 0 0 521.065 5.543 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000008408188 553009678 /nfs/dbraw/zinc/00/96/78/553009678.db2.gz GDCOFMOQTFZTES-PWUFRFDASA-N 0 0 520.654 7.387 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)cc(-c4cc(OC)c(OC)c(OC)c4)c3C#N)C2=O)cc1 ZINC000008412447 553009966 /nfs/dbraw/zinc/00/99/66/553009966.db2.gz ARHIMBNLYVZTQV-LJAQVGFWSA-N 0 0 595.677 6.136 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413253 553010132 /nfs/dbraw/zinc/01/01/32/553010132.db2.gz MTDMHWFFXZLFOX-NRFANRHFSA-N 0 0 591.358 7.608 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008413634 553010384 /nfs/dbraw/zinc/01/03/84/553010384.db2.gz BDZCZYSWNMJDTI-GDLZYMKVSA-N 0 0 627.694 6.238 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008414785 553010621 /nfs/dbraw/zinc/01/06/21/553010621.db2.gz AUFCNJSDJNOYJO-DEOSSOPVSA-N 0 0 514.544 5.965 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008415147 553010865 /nfs/dbraw/zinc/01/08/65/553010865.db2.gz WTXJDVFNORIDNB-HSZRJFAPSA-N 0 0 502.964 6.910 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008414913 553010873 /nfs/dbraw/zinc/01/08/73/553010873.db2.gz NKWNWXRAZOSSQA-CLYVBNDRSA-N 0 0 504.964 6.619 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008414928 553010893 /nfs/dbraw/zinc/01/08/93/553010893.db2.gz PLERRJULEKSMMK-DWXRJYCRSA-N 0 0 504.964 6.619 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000008414999 553010908 /nfs/dbraw/zinc/01/09/08/553010908.db2.gz QSFPYBCXYKKPAJ-WINIVTDRSA-N 0 0 500.545 5.974 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008415288 553011028 /nfs/dbraw/zinc/01/10/28/553011028.db2.gz DKTOXOHCBKFHHE-HRFSGMKKSA-N 0 0 520.526 6.845 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C ZINC000008416703 553012247 /nfs/dbraw/zinc/01/22/47/553012247.db2.gz GEGHYDWRBKWLBF-VWLOTQADSA-N 0 0 526.496 6.499 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C ZINC000008416708 553012254 /nfs/dbraw/zinc/01/22/54/553012254.db2.gz GEGHYDWRBKWLBF-RUZDIDTESA-N 0 0 526.496 6.499 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSC3=N/C(=C/c4ccccc4OC)C(=O)N3c3ccccc3)sc2C1 ZINC000008416696 553012280 /nfs/dbraw/zinc/01/22/80/553012280.db2.gz GXSBHYBKIADHKD-KDPMPHTCSA-N 0 0 598.794 7.285 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N([C@H]3CC(=O)N(c4ccccc4)C3=O)C3CCCCC3)n2)cc1 ZINC000008416853 553012510 /nfs/dbraw/zinc/01/25/10/553012510.db2.gz ALQLIIJXFWDDKH-MHZLTWQESA-N 0 0 622.669 6.233 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008424656 553014054 /nfs/dbraw/zinc/01/40/54/553014054.db2.gz LBFMOEICPXLQTJ-UHFFFAOYSA-N 0 0 526.791 7.239 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008426296 553018177 /nfs/dbraw/zinc/01/81/77/553018177.db2.gz WWACXUWSHFCXGU-XMYZDWSOSA-N 0 0 642.634 8.668 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000008426509 553018587 /nfs/dbraw/zinc/01/85/87/553018587.db2.gz OEIGNCRYTFKNQC-UHFFFAOYSA-N 0 0 503.549 7.345 50 30 KKEARN CCn1c2ccccc2nc1NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000008427036 553019304 /nfs/dbraw/zinc/01/93/04/553019304.db2.gz NLEKAYFMLSKJDY-YPMHNXCESA-N 0 0 639.262 6.867 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000008427341 553019892 /nfs/dbraw/zinc/01/98/92/553019892.db2.gz ICQJPDHSYAWLAF-SDHSZQHLSA-N 0 0 561.810 6.229 50 30 KKEARN COc1cc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000008430269 553021295 /nfs/dbraw/zinc/02/12/95/553021295.db2.gz ZZNOVIDYPKCGOU-NOVUIFNWSA-N 0 0 546.620 5.718 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000008430238 553021314 /nfs/dbraw/zinc/02/13/14/553021314.db2.gz AKCFXRRKXSYBFF-XGCWNURASA-N 0 0 517.412 7.388 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008430398 553021503 /nfs/dbraw/zinc/02/15/03/553021503.db2.gz SHMRPNGYPDKCOP-JYRCXFKTSA-N 0 0 500.551 5.421 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008430405 553021539 /nfs/dbraw/zinc/02/15/39/553021539.db2.gz ZEUSCDACFHHCSM-HZAQMHFWSA-N 0 0 530.621 6.099 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)C[C@H]1C ZINC000008430649 553022007 /nfs/dbraw/zinc/02/20/07/553022007.db2.gz GUJRUAKCUFBOEW-XBVPFSNISA-N 0 0 641.812 8.154 50 30 KKEARN N#C[C@]1(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Br)c2)C[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000008431109 553022425 /nfs/dbraw/zinc/02/24/25/553022425.db2.gz JHLFSTDSLSFEIA-DFOKWRJUSA-N 0 0 828.350 11.657 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3CC)N(c3ccccc3CC)C2=O)ccc1OC(C)=O ZINC000008431360 553022878 /nfs/dbraw/zinc/02/28/78/553022878.db2.gz LEMDFQJSBHQJBH-AGJGHCONSA-N 0 0 514.647 6.944 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000008432183 553025453 /nfs/dbraw/zinc/02/54/53/553025453.db2.gz QXTHUCWQQGHXBX-SFRLIIPVSA-N 0 0 544.651 7.227 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C(C)(C)C)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000008432219 553025456 /nfs/dbraw/zinc/02/54/56/553025456.db2.gz ZORQSHWFEALXQX-UHFFFAOYSA-N 0 0 607.823 7.066 50 30 KKEARN C=CCOc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccccc1OCC ZINC000008432690 553026858 /nfs/dbraw/zinc/02/68/58/553026858.db2.gz WNVPGKZYIUEVIC-XMMPIXPASA-N 0 0 601.295 6.087 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008433091 553028046 /nfs/dbraw/zinc/02/80/46/553028046.db2.gz GYJZENLFTVUQFY-QTEAWJPNSA-N 0 0 590.532 8.670 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433279 553028526 /nfs/dbraw/zinc/02/85/26/553028526.db2.gz DJOHXYKSEGUAKQ-XMMPIXPASA-N 0 0 548.661 6.242 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)cc3C)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008433349 553028532 /nfs/dbraw/zinc/02/85/32/553028532.db2.gz HGAYHCAGYQRFGE-XMMPIXPASA-N 0 0 560.628 5.459 50 30 KKEARN COc1ccc(C=CC(=O)[C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@H]2c2ccccc2)c(Br)c1OC ZINC000008435290 553030146 /nfs/dbraw/zinc/03/01/46/553030146.db2.gz OSUJTIBCMPTRBQ-RCJCBSRNSA-N 0 0 537.366 5.357 50 30 KKEARN CCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000008435386 553030226 /nfs/dbraw/zinc/03/02/26/553030226.db2.gz XOIHEMQFVXVZOZ-IZLXSDGUSA-N 0 0 535.662 5.182 50 30 KKEARN CCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000008435387 553030251 /nfs/dbraw/zinc/03/02/51/553030251.db2.gz XOIHEMQFVXVZOZ-NSOVKSMOSA-N 0 0 535.662 5.182 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000008438492 553034326 /nfs/dbraw/zinc/03/43/26/553034326.db2.gz SAVJXCPFZOXSSM-KBVAKVRCSA-N 0 0 548.022 6.042 50 30 KKEARN O=C(c1ccccc1)C1=CN2c3ccccc3S[C@](O)(c3ccccc3)[C@@H]2[C@H]2Sc3ccccc3N12 ZINC000008438807 553035262 /nfs/dbraw/zinc/03/52/62/553035262.db2.gz JXOIQUZEKCZCFN-FRXPANAUSA-N 0 0 506.652 6.489 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000008440106 553036478 /nfs/dbraw/zinc/03/64/78/553036478.db2.gz SROMXQBADSHLKA-JGCGQSQUSA-N 0 0 563.650 6.494 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc3c(c2)c2ccccc2n3C)C2=C(CCCC2=O)N1 ZINC000008440169 553036734 /nfs/dbraw/zinc/03/67/34/553036734.db2.gz HLRWDQITUITZRR-HHHXNRCGSA-N 0 0 541.449 6.096 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008440142 553036745 /nfs/dbraw/zinc/03/67/45/553036745.db2.gz ROSBQSDPTMGMBC-WJOKGBTCSA-N 0 0 622.699 7.074 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000008440118 553036794 /nfs/dbraw/zinc/03/67/94/553036794.db2.gz SEDHYIFVHXUKLC-NSYGIPOTSA-N 0 0 590.898 5.758 50 30 biogenic,in-vitro KKEARN CCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000008440442 553037725 /nfs/dbraw/zinc/03/77/25/553037725.db2.gz BYCIUHPFWULOPR-GYWYTVIISA-N 0 0 656.661 9.058 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CCC3)cc1CSc1ccc(C)cc1 ZINC000008440693 553038366 /nfs/dbraw/zinc/03/83/66/553038366.db2.gz ADJQZQGQGNFJRU-GDLZYMKVSA-N 0 0 539.701 6.606 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008440851 553038727 /nfs/dbraw/zinc/03/87/27/553038727.db2.gz GZTLKCPGQIJVJN-AOYPEHQESA-N 0 0 548.433 5.785 50 30 KKEARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000008441135 553039447 /nfs/dbraw/zinc/03/94/47/553039447.db2.gz KQYQFHULVISYRF-UHFFFAOYSA-N 0 0 507.659 7.324 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc(C)c3C)c2C#N)cc1OC ZINC000008441091 553039524 /nfs/dbraw/zinc/03/95/24/553039524.db2.gz BMRPIAXHVOVNFE-UHFFFAOYSA-N 0 0 523.658 6.961 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000008441136 553039592 /nfs/dbraw/zinc/03/95/92/553039592.db2.gz DRGTWHUEOGKXOM-UHFFFAOYSA-N 0 0 583.779 8.171 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008441301 553040440 /nfs/dbraw/zinc/04/04/40/553040440.db2.gz SVZAMDFYFCELQJ-HHHXNRCGSA-N 0 0 513.594 5.867 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)cc(-c3ccccc3Cl)c1C#N)CCCC2 ZINC000008441374 553040705 /nfs/dbraw/zinc/04/07/05/553040705.db2.gz IAFLOQRALZSGMV-UHFFFAOYSA-N 0 0 588.154 7.788 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008441516 553041141 /nfs/dbraw/zinc/04/11/41/553041141.db2.gz JWAWBNWTSUPJDF-SZJUTTIESA-N 0 0 505.611 5.336 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000008441671 553041390 /nfs/dbraw/zinc/04/13/90/553041390.db2.gz DEPFHUNJJWREGN-LJAQVGFWSA-N 0 0 582.678 7.567 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)s1 ZINC000008441665 553041551 /nfs/dbraw/zinc/04/15/51/553041551.db2.gz UZABTMQIKZYHHW-VWLOTQADSA-N 0 0 500.060 6.374 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000008441712 553041812 /nfs/dbraw/zinc/04/18/12/553041812.db2.gz PZMXBACWMQICOX-WJOKGBTCSA-N 0 0 586.669 8.021 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000008441774 553042224 /nfs/dbraw/zinc/04/22/24/553042224.db2.gz GOJRQIRWITVBAS-SANMLTNESA-N 0 0 510.099 7.026 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Br)cc2)c(CC)s1 ZINC000008441839 553042697 /nfs/dbraw/zinc/04/26/97/553042697.db2.gz BCSLPJNHYOSHJS-SANMLTNESA-N 0 0 558.538 6.819 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@]3(O)CCCC[C@H]3SCc3ccccc3)c2C#N)cc1 ZINC000008442348 553043283 /nfs/dbraw/zinc/04/32/83/553043283.db2.gz SUUQYJLQKAZHPC-VTIYRKAUSA-N 0 0 536.766 8.295 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)N1CCOCC1 ZINC000008442640 553044139 /nfs/dbraw/zinc/04/41/39/553044139.db2.gz QQEJGVWOMTYNRP-QFEZKATASA-N 0 0 508.581 5.166 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000008442969 553044767 /nfs/dbraw/zinc/04/47/67/553044767.db2.gz ANPXWSONTYNUBL-QPJBPQEWSA-N 0 0 713.289 7.171 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1C ZINC000008442945 553044785 /nfs/dbraw/zinc/04/47/85/553044785.db2.gz POTIXKPOTCAOFF-FRTKJFMSSA-N 0 0 527.580 6.165 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ncc(Br)cc1Br ZINC000008443084 553045337 /nfs/dbraw/zinc/04/53/37/553045337.db2.gz NZGSJXZYIQPPCI-UHFFFAOYSA-N 0 0 572.204 6.290 50 30 KKEARN Cc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000008443029 553045393 /nfs/dbraw/zinc/04/53/93/553045393.db2.gz SWJAAOZWCYMVIO-WCMJOSRZSA-N 0 0 512.094 7.640 50 30 KKEARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2F)cc1OC ZINC000008443993 553048816 /nfs/dbraw/zinc/04/88/16/553048816.db2.gz QSDBGKLWCBBAFS-SSEXGKCCSA-N 0 0 528.624 7.080 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444110 553049277 /nfs/dbraw/zinc/04/92/77/553049277.db2.gz MUBHCCUBTAOKDO-IJAHGLKVSA-N 0 0 558.678 7.698 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000008444543 553050752 /nfs/dbraw/zinc/05/07/52/553050752.db2.gz LHVCUCBFYKJEEH-FWUCURJTSA-N 0 0 508.637 7.434 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000008445024 553052898 /nfs/dbraw/zinc/05/28/98/553052898.db2.gz NLRQTCDMNVYRMV-QNLPTKCRSA-N 0 0 523.633 7.384 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008445042 553052935 /nfs/dbraw/zinc/05/29/35/553052935.db2.gz COEMBAIQPMCBAO-UKZNZPTOSA-N 0 0 576.696 8.480 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008445101 553053164 /nfs/dbraw/zinc/05/31/64/553053164.db2.gz KWCOWRNANSWYIX-URNDWHGUSA-N 0 0 535.732 8.014 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccccc3)C2)cc1 ZINC000008445074 553053196 /nfs/dbraw/zinc/05/31/96/553053196.db2.gz LHRCAWNUXKIYHG-CVYDZTKKSA-N 0 0 541.695 7.747 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3)C2)cc1 ZINC000008445125 553053435 /nfs/dbraw/zinc/05/34/35/553053435.db2.gz NXXUVXLZWLKZGY-PZGXJGMVSA-N 0 0 534.578 7.328 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCc3ccccc3Cl)c2C#N)ccc1OCc1ccccc1 ZINC000008445824 553055113 /nfs/dbraw/zinc/05/51/13/553055113.db2.gz AVHQEXZMBKACAD-UHFFFAOYSA-N 0 0 549.095 8.821 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000008445823 553055183 /nfs/dbraw/zinc/05/51/83/553055183.db2.gz ZKUUIOOWTUHCKE-UHFFFAOYSA-N 0 0 549.095 8.821 50 30 KKEARN CCCC[C@H]1SC(C)=NN1/C(=N/c1nnc(C)s1)N1CCN(/C(=N\c2nnc(C)s2)N2N=C(C)S[C@@H]2CCCC)CC1 ZINC000008448143 553055633 /nfs/dbraw/zinc/05/56/33/553055633.db2.gz ACNPSQNUHHEKEK-YRAHDAKWSA-N 0 0 648.958 6.096 50 30 KKEARN CCCCCCCCS(=O)(=O)C[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008448610 553056253 /nfs/dbraw/zinc/05/62/53/553056253.db2.gz IUEQDOZAXJNTPS-RUZDIDTESA-N 0 0 522.736 6.516 50 30 KKEARN CCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000008449518 553057364 /nfs/dbraw/zinc/05/73/64/553057364.db2.gz PUTPYDJKEOPBPP-KPHNHAPKSA-N 0 0 651.395 7.224 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000008449704 553057445 /nfs/dbraw/zinc/05/74/45/553057445.db2.gz LCXJYHMIABKGAE-WVXDQTCGSA-N 0 0 605.819 9.331 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000008449705 553057496 /nfs/dbraw/zinc/05/74/96/553057496.db2.gz LCXJYHMIABKGAE-MFUHDEKWSA-N 0 0 605.819 9.331 50 30 KKEARN CCOc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)N2C)cc1 ZINC000008450485 553058356 /nfs/dbraw/zinc/05/83/56/553058356.db2.gz ONSPQCWGTIZQHD-QKSAGWNYSA-N 0 0 514.607 5.183 50 30 KKEARN CCCCCCCCCCCCOc1ccc(/C=C\c2ccc3cccc(OCCCCCC)c3n2)cc1 ZINC000008450579 553058809 /nfs/dbraw/zinc/05/88/09/553058809.db2.gz DUVGZEPKBSFNHK-GFMRDNFCSA-N 0 0 515.782 10.664 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008450777 553059002 /nfs/dbraw/zinc/05/90/02/553059002.db2.gz CQARRPBVHYMDMO-CGKQSPDFSA-N 0 0 572.658 6.040 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008450852 553059425 /nfs/dbraw/zinc/05/94/25/553059425.db2.gz TYEXOVCCGDDLER-IPBJYNAHSA-N 0 0 550.014 7.463 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000008450880 553059500 /nfs/dbraw/zinc/05/95/00/553059500.db2.gz YUNWWTQGCGSEMU-FSFYKJEYSA-N 0 0 664.731 5.693 50 30 KKEARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000008450869 553059540 /nfs/dbraw/zinc/05/95/40/553059540.db2.gz GBDWAVXDQRMNFK-KFOJKGMOSA-N 0 0 693.801 6.688 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccsc1 ZINC000008450991 553060066 /nfs/dbraw/zinc/06/00/66/553060066.db2.gz FTHLFQTXYHAVLJ-IFQHBXIOSA-N 0 0 500.067 6.588 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(-c3cccs3)c1C#N)CCCC2 ZINC000008450999 553060131 /nfs/dbraw/zinc/06/01/31/553060131.db2.gz OQQXCRFTCAEMSG-UHFFFAOYSA-N 0 0 565.767 7.258 50 30 KKEARN CCOc1cccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(-c3cccs3)c2C#N)c1 ZINC000008451078 553060148 /nfs/dbraw/zinc/06/01/48/553060148.db2.gz VWCBJERHAANAED-UHFFFAOYSA-N 0 0 501.633 6.487 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCC3)c(C#N)c1C ZINC000008451147 553060396 /nfs/dbraw/zinc/06/03/96/553060396.db2.gz PFKIYCYOZUPDCL-UHFFFAOYSA-N 0 0 508.650 5.320 50 30 KKEARN Cc1ccc(C)c(OCCn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)c1 ZINC000008451369 553060815 /nfs/dbraw/zinc/06/08/15/553060815.db2.gz UWXXXVXUYKQBMU-AJBULDERSA-N 0 0 524.673 5.169 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000008452197 553063104 /nfs/dbraw/zinc/06/31/04/553063104.db2.gz ZDOKEXZGVDCHQG-VRPAEGBYSA-N 0 0 516.619 6.189 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452351 553063550 /nfs/dbraw/zinc/06/35/50/553063550.db2.gz NTZIYDGGFXLCMJ-VUSROABMSA-N 0 0 544.673 6.610 50 30 KKEARN CCc1ccc(/N=C2/S/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)N2C)cc1 ZINC000008452294 553063582 /nfs/dbraw/zinc/06/35/82/553063582.db2.gz CQUONYIEEWISEP-HLMYEUOZSA-N 0 0 532.463 6.696 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000008452706 553064220 /nfs/dbraw/zinc/06/42/20/553064220.db2.gz HJRRSYWGRXYPME-AJZCEHBXSA-N 0 0 597.180 9.360 50 30 KKEARN Cc1c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000008453560 553066592 /nfs/dbraw/zinc/06/65/92/553066592.db2.gz MNXIPVHWKILTOE-RNMKHYPESA-N 0 0 516.670 7.416 50 30 KKEARN C=CCc1ccc(OCc2ccc(C(=O)Nc3sc(C(=O)N(CC)CC)c(C)c3C(=O)OC)o2)c(OC)c1 ZINC000008454433 553068792 /nfs/dbraw/zinc/06/87/92/553068792.db2.gz WVIIDOIGXZBJIZ-UHFFFAOYSA-N 0 0 540.638 5.487 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455756 553073383 /nfs/dbraw/zinc/07/33/83/553073383.db2.gz SSCXLQJNPOIRID-AFMDSPMNSA-N 0 0 510.943 7.111 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000008455823 553073836 /nfs/dbraw/zinc/07/38/36/553073836.db2.gz ITZFUOKPWLCVBT-DHFGEULSSA-N 0 0 554.425 7.160 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)sc2C1 ZINC000008455813 553073876 /nfs/dbraw/zinc/07/38/76/553073876.db2.gz RWQXCJPWFMWJPX-OWZDWXTDSA-N 0 0 533.645 6.941 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000008461797 553075197 /nfs/dbraw/zinc/07/51/97/553075197.db2.gz WDYQLUPSGZTBQZ-UHFFFAOYSA-N 0 0 635.201 7.088 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008461825 553075473 /nfs/dbraw/zinc/07/54/73/553075473.db2.gz DRIQEPKYDAUAPI-UHFFFAOYSA-N 0 0 612.550 7.728 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1cccc2ccccc21 ZINC000008492766 553076101 /nfs/dbraw/zinc/07/61/01/553076101.db2.gz IHACGQYZFJNBDR-RUMWWMSVSA-N 0 0 537.668 5.649 50 30 KKEARN Cc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008576279 553078395 /nfs/dbraw/zinc/07/83/95/553078395.db2.gz JFZKJZFGXRSCTC-UHFFFAOYSA-N 0 0 557.600 5.511 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000008617813 553102694 /nfs/dbraw/zinc/10/26/94/553102694.db2.gz OIMGSFGYOMXDSW-YZSQISJMSA-N 0 0 526.589 5.207 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCc2ccc(C#N)cc2)cc1 ZINC000008618003 553102757 /nfs/dbraw/zinc/10/27/57/553102757.db2.gz HVIMQVNGCNTYRU-UHFFFAOYSA-N 0 0 507.681 5.914 50 30 KKEARN C=CCN(c1ccccc1C1=N/C(=C\c2ccc(Cl)cc2)C(=O)O1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008626801 553104215 /nfs/dbraw/zinc/10/42/15/553104215.db2.gz KHINSVXASABBNS-JWGURIENSA-N 0 0 513.402 5.719 50 30 KKEARN CCc1cccc(CC)c1NC(=O)[C@@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000008648814 553107275 /nfs/dbraw/zinc/10/72/75/553107275.db2.gz KNNRUMHAFLSFMX-SANMLTNESA-N 0 0 551.659 8.297 50 30 KKEARN N#Cc1c(S[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000008648816 553107329 /nfs/dbraw/zinc/10/73/29/553107329.db2.gz FHJFRUULPWSHKY-JOCHJYFZSA-N 0 0 598.886 9.133 50 30 KKEARN CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)C(=O)N2C2CCCCC2)cc1 ZINC000008659734 553108926 /nfs/dbraw/zinc/10/89/26/553108926.db2.gz DJPQGNUPXYEDGK-POKXIKKPSA-N 0 0 558.773 7.980 50 30 KKEARN O[C@@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000008691985 553118046 /nfs/dbraw/zinc/11/80/46/553118046.db2.gz GOTDNKUZEAZGFO-GFCCVEGCSA-N 0 0 524.235 6.650 50 30 KKEARN Clc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)c1Cl ZINC000008694744 553120405 /nfs/dbraw/zinc/12/04/05/553120405.db2.gz VQEGMERSUJSYOA-LQKURTRISA-N 0 0 508.413 6.618 50 30 KKEARN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008694724 553120432 /nfs/dbraw/zinc/12/04/32/553120432.db2.gz VNYCKRZGZJBOJG-RUZDIDTESA-N 0 0 558.432 5.338 50 30 KKEARN CCOc1ccc(-c2csc(N=NC(CC(=O)c3ccc(Br)cc3)C(F)(F)F)n2)cc1 ZINC000008694813 553120594 /nfs/dbraw/zinc/12/05/94/553120594.db2.gz JAPNEEWEOQAHJF-DIBXZPPDSA-N 0 0 512.351 6.575 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008695137 553120879 /nfs/dbraw/zinc/12/08/79/553120879.db2.gz LKTYVQQOULWBDN-VWLOTQADSA-N 0 0 505.401 6.604 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3cc(C(=O)c4ccccc4)ccc3[nH]1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000008695084 553120887 /nfs/dbraw/zinc/12/08/87/553120887.db2.gz JVGGMFVNRXUWFF-UMSFTDKQSA-N 0 0 621.568 8.917 50 30 KKEARN Cc1[nH]c2ccc(Br)cc2c1CCNC(c1ccccc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000008695158 553120990 /nfs/dbraw/zinc/12/09/90/553120990.db2.gz QJGKBIQQBICIDH-WWIWEHRJSA-N 0 0 619.519 7.087 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(F)cc23)c2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695171 553121157 /nfs/dbraw/zinc/12/11/57/553121157.db2.gz NPWXKHDXKSDKEY-BBTNWVSFSA-N 0 0 562.576 6.294 50 30 KKEARN Brc1ccc(OCc2ccccc2)c(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 ZINC000008695523 553121833 /nfs/dbraw/zinc/12/18/33/553121833.db2.gz AFSNKZBGTUCTJU-RDRPBHBLSA-N 0 0 544.457 6.003 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000008695572 553122241 /nfs/dbraw/zinc/12/22/41/553122241.db2.gz CQCWNWDQEVCYEO-UVDDSOTQSA-N 0 0 533.499 8.474 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000008738013 553130664 /nfs/dbraw/zinc/13/06/64/553130664.db2.gz RRQIYSTUTXRUDL-OGVWKLGRSA-N 0 0 507.678 7.234 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008744255 553134117 /nfs/dbraw/zinc/13/41/17/553134117.db2.gz INDRSUWJZPBGKS-NRFANRHFSA-N 0 0 520.607 5.327 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000008753179 553135467 /nfs/dbraw/zinc/13/54/67/553135467.db2.gz UYXOQQZJTARYLD-UBOZLPQGSA-N 0 0 582.622 8.037 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2-c2ccc(OC)cc2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000008766604 553138897 /nfs/dbraw/zinc/13/88/97/553138897.db2.gz OHJMXAMLQHNVDL-QNKGDIEWSA-N 0 0 520.633 6.121 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008774518 553142089 /nfs/dbraw/zinc/14/20/89/553142089.db2.gz WRDALIHFYZKHDS-SANMLTNESA-N 0 0 535.427 6.694 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000008780640 553144247 /nfs/dbraw/zinc/14/42/47/553144247.db2.gz FFADTWNXPGLRJO-ZBLYBZFDSA-N 0 0 507.652 5.449 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000008816939 553152313 /nfs/dbraw/zinc/15/23/13/553152313.db2.gz BMGAMNLRLQNUGN-JOCHJYFZSA-N 0 0 504.539 5.544 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000008817688 553152913 /nfs/dbraw/zinc/15/29/13/553152913.db2.gz KMGPLSBCHWXAED-XCZPVHLTSA-N 0 0 517.467 7.554 50 30 KKEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000008834445 553161077 /nfs/dbraw/zinc/16/10/77/553161077.db2.gz XWKRMHHCKCOCLK-JOCHJYFZSA-N 0 0 503.647 5.020 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000008836072 553162899 /nfs/dbraw/zinc/16/28/99/553162899.db2.gz PZTHWWNFOCMJKQ-AREMUKBSSA-N 0 0 527.061 5.128 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008836945 553163525 /nfs/dbraw/zinc/16/35/25/553163525.db2.gz UCBLJZZGELJEOX-JXSYCYSGSA-N 0 0 528.652 7.576 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000008837254 553163760 /nfs/dbraw/zinc/16/37/60/553163760.db2.gz OZOVWOBRVBXTKP-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845737 553165720 /nfs/dbraw/zinc/16/57/20/553165720.db2.gz FVGXIPKEBQJGLU-GYCJOSAFSA-N 0 0 519.623 5.522 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccs1 ZINC000008846354 553166060 /nfs/dbraw/zinc/16/60/60/553166060.db2.gz KOSGRGSZYAPMSN-HEIROHQZSA-N 0 0 526.746 8.527 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccccc2)cc1OC ZINC000008846309 553166066 /nfs/dbraw/zinc/16/60/66/553166066.db2.gz NEJVITFROQHFPU-WPLMXXOSSA-N 0 0 517.651 5.524 50 30 KKEARN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000008846339 553166069 /nfs/dbraw/zinc/16/60/69/553166069.db2.gz UOUMMBULCORECE-VKGTZQKMSA-N 0 0 503.429 7.304 50 30 KKEARN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000008846338 553166121 /nfs/dbraw/zinc/16/61/21/553166121.db2.gz UOUMMBULCORECE-GDJIYFAZSA-N 0 0 503.429 7.304 50 30 KKEARN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000008846341 553166152 /nfs/dbraw/zinc/16/61/52/553166152.db2.gz UOUMMBULCORECE-HMILPKGGSA-N 0 0 503.429 7.304 50 30 KKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000008846805 553166568 /nfs/dbraw/zinc/16/65/68/553166568.db2.gz FHVILIARPGRYJM-PRAQEBQASA-N 0 0 514.622 6.481 50 30 KKEARN CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000008861327 553170259 /nfs/dbraw/zinc/17/02/59/553170259.db2.gz DSNFNLCEPRSWMM-VWLOTQADSA-N 0 0 509.425 5.890 50 30 KKEARN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c1C)CCCC2 ZINC000008861795 553170538 /nfs/dbraw/zinc/17/05/38/553170538.db2.gz VMYNSQYMRJCTRE-HMAPJEAMSA-N 0 0 523.655 6.242 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3OC(C)C)nc(NCc3ccco3)n2)cc1 ZINC000008872125 553172236 /nfs/dbraw/zinc/17/22/36/553172236.db2.gz CFXIDEDCQQMHIF-MUXKCCDJSA-N 0 0 552.433 5.825 50 30 KKEARN Fc1ccc(Nc2nc(N=NCc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)nc(N3CCCCC3)n2)cc1 ZINC000008872091 553172239 /nfs/dbraw/zinc/17/22/39/553172239.db2.gz PHVQIGNHPAEKCE-BJUCDSOZSA-N 0 0 645.364 7.839 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008872310 553173097 /nfs/dbraw/zinc/17/30/97/553173097.db2.gz TXGGKXCWOJOMFM-UZWMFBFFSA-N 0 0 576.617 6.691 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc(Br)c1 ZINC000008872316 553173142 /nfs/dbraw/zinc/17/31/42/553173142.db2.gz KHBOYMJILQVVIV-ZCTHSVRISA-N 0 0 602.493 6.042 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000008872449 553173322 /nfs/dbraw/zinc/17/33/22/553173322.db2.gz OVKLVPPHTNAGFG-UHFFFAOYSA-N 0 0 543.670 5.656 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccccc3Br)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872890 553174269 /nfs/dbraw/zinc/17/42/69/553174269.db2.gz QBCNABJCOIJVCN-VULFUBBASA-N 0 0 533.390 6.092 50 30 KKEARN CCN(CC)c1nc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)nc(Nc2ccc(C)c(Cl)c2)n1 ZINC000008872947 553174661 /nfs/dbraw/zinc/17/46/61/553174661.db2.gz QGISNTOMANKXMH-MHDJOFBISA-N 0 0 614.965 7.764 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008894006 553177127 /nfs/dbraw/zinc/17/71/27/553177127.db2.gz TWYWDPNMUFJVIG-VWLOTQADSA-N 0 0 512.631 6.694 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008894004 553177185 /nfs/dbraw/zinc/17/71/85/553177185.db2.gz TWYWDPNMUFJVIG-RUZDIDTESA-N 0 0 512.631 6.694 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008894073 553177584 /nfs/dbraw/zinc/17/75/84/553177584.db2.gz RDPOIGAXEHZRCK-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894512 553177670 /nfs/dbraw/zinc/17/76/70/553177670.db2.gz KVFPUQCKDZFZFM-AREMUKBSSA-N 0 0 512.631 6.739 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000008894996 553178070 /nfs/dbraw/zinc/17/80/70/553178070.db2.gz JSIFSGKEGXQOEK-DEOSSOPVSA-N 0 0 502.567 6.152 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000008913846 553185529 /nfs/dbraw/zinc/18/55/29/553185529.db2.gz DXBSAVMCHPDYLQ-WENCNXQZSA-N 0 0 517.025 6.668 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2ccc(C)o2)cc1OC ZINC000008916375 553186596 /nfs/dbraw/zinc/18/65/96/553186596.db2.gz ITTRQCDLHKBKIU-WTYVLRPYSA-N 0 0 525.667 5.653 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008916515 553186789 /nfs/dbraw/zinc/18/67/89/553186789.db2.gz WLBTWEJSMDEORT-KPURRNSFSA-N 0 0 520.069 6.976 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1F)[C@@H]2c1c(Cl)cccc1Cl ZINC000008920555 553189289 /nfs/dbraw/zinc/18/92/89/553189289.db2.gz OLLKSNDWLKJDJR-AREMUKBSSA-N 0 0 509.408 7.589 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)c1cc2ccccc2oc1=O ZINC000008951199 553193448 /nfs/dbraw/zinc/19/34/48/553193448.db2.gz AEUQZOBKJSSNDE-UHFFFAOYSA-N 0 0 508.986 7.022 50 30 KKEARN CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951257 553193531 /nfs/dbraw/zinc/19/35/31/553193531.db2.gz PZGBJFVDUONDMV-TVSCDJBNSA-N 0 0 515.513 6.411 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973230 553195185 /nfs/dbraw/zinc/19/51/85/553195185.db2.gz WFZTVVFQPCDARS-XMMPIXPASA-N 0 0 500.576 5.877 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008973324 553195221 /nfs/dbraw/zinc/19/52/21/553195221.db2.gz OALPKFYTQWTLTG-HSZRJFAPSA-N 0 0 502.548 5.105 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008973694 553195568 /nfs/dbraw/zinc/19/55/68/553195568.db2.gz IEFCUCGTZSAKNK-SANMLTNESA-N 0 0 512.631 6.910 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008974022 553195785 /nfs/dbraw/zinc/19/57/85/553195785.db2.gz ZXIZBIUANZMFFA-RUZDIDTESA-N 0 0 514.603 6.103 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008980488 553195977 /nfs/dbraw/zinc/19/59/77/553195977.db2.gz MBZNBVPJSMBLCD-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980294 553196080 /nfs/dbraw/zinc/19/60/80/553196080.db2.gz MOYPWADRCMOXPD-QFIPXVFZSA-N 0 0 525.575 5.562 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000008984853 553196389 /nfs/dbraw/zinc/19/63/89/553196389.db2.gz KVVRYFBNEFHCHB-NGOKVRLYSA-N 0 0 522.041 6.292 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008996457 553197199 /nfs/dbraw/zinc/19/71/99/553197199.db2.gz JROUNLCJJPOKNT-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN COCc1cc(C)nc(N=NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C#N ZINC000008997316 553197786 /nfs/dbraw/zinc/19/77/86/553197786.db2.gz HLYLNZLRHWHPDE-RPPGKUMJSA-N 0 0 510.348 5.104 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009007490 553198112 /nfs/dbraw/zinc/19/81/12/553198112.db2.gz WIHYQSAEIYTZAM-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009008013 553198457 /nfs/dbraw/zinc/19/84/57/553198457.db2.gz PJCFIYHXZYCJCG-HSZRJFAPSA-N 0 0 516.575 5.413 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1ccccc1Cl ZINC000009011987 553199908 /nfs/dbraw/zinc/19/99/08/553199908.db2.gz JRDSMGABDMROBV-JIYROHSKSA-N 0 0 513.081 8.129 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041292 553202245 /nfs/dbraw/zinc/20/22/45/553202245.db2.gz LUNVKFSFJAXGBN-QHCPKHFHSA-N 0 0 521.013 7.169 50 30 KKEARN C=CCn1c(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nnc1SC/C=C/c1ccccc1 ZINC000009041389 553202255 /nfs/dbraw/zinc/20/22/55/553202255.db2.gz VYZOZGMKMRERDP-DHZHZOJOSA-N 0 0 507.710 5.739 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009041393 553202267 /nfs/dbraw/zinc/20/22/67/553202267.db2.gz RBXDWDHNBWUNEH-QHCPKHFHSA-N 0 0 502.548 5.105 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000009042046 553202449 /nfs/dbraw/zinc/20/24/49/553202449.db2.gz PLXFFWUGEDLSES-XCZPVHLTSA-N 0 0 503.440 7.380 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000009042044 553202453 /nfs/dbraw/zinc/20/24/53/553202453.db2.gz PLXFFWUGEDLSES-XTEPFMGCSA-N 0 0 503.440 7.380 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000009044178 553203053 /nfs/dbraw/zinc/20/30/53/553203053.db2.gz UGTLIYMAZLBZKY-QHCPKHFHSA-N 0 0 516.432 5.407 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000009044786 553203224 /nfs/dbraw/zinc/20/32/24/553203224.db2.gz RDFNQNNLVJAUOT-MUUNZHRXSA-N 0 0 506.558 5.969 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009044646 553203341 /nfs/dbraw/zinc/20/33/41/553203341.db2.gz DZWFIZNDZVXJIR-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046209 553203844 /nfs/dbraw/zinc/20/38/44/553203844.db2.gz KQDRJNTXSZRWEA-XMMPIXPASA-N 0 0 502.567 6.234 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069592 553206799 /nfs/dbraw/zinc/20/67/99/553206799.db2.gz MPXFXPNBAOBRDB-QFIPXVFZSA-N 0 0 506.605 5.938 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009069511 553206917 /nfs/dbraw/zinc/20/69/17/553206917.db2.gz QGSXKBBLJNKNDD-NRFANRHFSA-N 0 0 506.580 5.037 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3cccc(F)c3)S2)cc1 ZINC000009076021 553207717 /nfs/dbraw/zinc/20/77/17/553207717.db2.gz DCPZVKMOCHYCNK-JVEWKGNHSA-N 0 0 505.571 5.163 50 30 KKEARN CCOc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000009082939 553208117 /nfs/dbraw/zinc/20/81/17/553208117.db2.gz WSJMPKTWOKZJSB-QBRBYCADSA-N 0 0 503.646 6.272 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000009109147 553209905 /nfs/dbraw/zinc/20/99/05/553209905.db2.gz PAVOYJYOSFLOFV-XDCSYDRFSA-N 0 0 538.707 8.604 50 30 KKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009111071 553210368 /nfs/dbraw/zinc/21/03/68/553210368.db2.gz QMPCEUPZSSCABV-PMERELPUSA-N 0 0 527.621 7.021 50 30 KKEARN Clc1ccc2nc(N=NC3=CC(c4ccccc4)C[C@H](c4ccccc4)C3)nc(-c3ccccc3)c2c1 ZINC000009170314 553215924 /nfs/dbraw/zinc/21/59/24/553215924.db2.gz SUQKUGYREMIPPN-QFOSAPMWSA-N 0 0 501.033 8.379 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009178850 553216613 /nfs/dbraw/zinc/21/66/13/553216613.db2.gz GLZZEKFAQPFCEP-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000009185699 553217428 /nfs/dbraw/zinc/21/74/28/553217428.db2.gz AKWOXFZBZVQYNZ-LMKMVOKYSA-N 0 0 512.484 5.760 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000009191997 553218792 /nfs/dbraw/zinc/21/87/92/553218792.db2.gz IKTKEVOMCFGPPK-RUZDIDTESA-N 0 0 515.610 5.279 50 30 KKEARN COc1ccc(/C(=N\OC(=O)c2ccccc2Cl)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000009233864 553224759 /nfs/dbraw/zinc/22/47/59/553224759.db2.gz GSAOHMWZFXEIMT-QCWLDUFUSA-N 0 0 506.942 5.532 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1OC ZINC000009235674 553225354 /nfs/dbraw/zinc/22/53/54/553225354.db2.gz YGNUWULANPAFNX-OAQYLSRUSA-N 0 0 513.019 5.272 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000009241540 553226282 /nfs/dbraw/zinc/22/62/82/553226282.db2.gz JQZXNDXCYSIMNS-XMMPIXPASA-N 0 0 502.567 6.234 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000009246568 553227317 /nfs/dbraw/zinc/22/73/17/553227317.db2.gz XCSRLFUXHJKMNM-RUZDIDTESA-N 0 0 526.029 5.800 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000009246566 553227327 /nfs/dbraw/zinc/22/73/27/553227327.db2.gz XCSRLFUXHJKMNM-VWLOTQADSA-N 0 0 526.029 5.800 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c1O ZINC000009246678 553227335 /nfs/dbraw/zinc/22/73/35/553227335.db2.gz KTXUOWVIZJDWHR-FOKLQQMPSA-N 0 0 518.633 5.557 50 30 KKEARN Cc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009264221 553228633 /nfs/dbraw/zinc/22/86/33/553228633.db2.gz DTELUVMJNCSDBY-RCRUUEGKSA-N 0 0 509.005 7.456 50 30 KKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264239 553228785 /nfs/dbraw/zinc/22/87/85/553228785.db2.gz YZIKHBBHZKJNKV-ACSYHNTCSA-N 0 0 516.041 7.349 50 30 KKEARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccc(CC#N)cc3)cnn2-c2ccc(F)cc2)CC1 ZINC000009264632 553229255 /nfs/dbraw/zinc/22/92/55/553229255.db2.gz VPQXVVUDOWNRSH-UHFFFAOYSA-N 0 0 503.578 5.444 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009271327 553230771 /nfs/dbraw/zinc/23/07/71/553230771.db2.gz DJVAUPUDFGCTKL-JOCHJYFZSA-N 0 0 504.633 6.447 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009271638 553231320 /nfs/dbraw/zinc/23/13/20/553231320.db2.gz YVEHLONBVLWPLV-HHHXNRCGSA-N 0 0 526.658 7.218 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009302166 553236402 /nfs/dbraw/zinc/23/64/02/553236402.db2.gz MMYIGFIXUQHBJD-NRFANRHFSA-N 0 0 504.608 5.709 50 30 KKEARN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C(=O)OC(C)C)ccc1Cl ZINC000009302339 553236448 /nfs/dbraw/zinc/23/64/48/553236448.db2.gz CEJVILMQBFWQJF-UHFFFAOYSA-N 0 0 515.035 5.013 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009308411 553237458 /nfs/dbraw/zinc/23/74/58/553237458.db2.gz GEMFWTMCGLJQGW-UHFFFAOYSA-N 0 0 512.679 6.738 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009308646 553237526 /nfs/dbraw/zinc/23/75/26/553237526.db2.gz NUYXWPSJTRIQOY-UZTOHYMASA-N 0 0 523.626 5.058 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)S2)cc1 ZINC000009311574 553239707 /nfs/dbraw/zinc/23/97/07/553239707.db2.gz RPZIURLCXLZRCH-MHWRWJLKSA-N 0 0 512.223 5.511 50 30 KKEARN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000009311592 553239714 /nfs/dbraw/zinc/23/97/14/553239714.db2.gz NDBLHEAHVXHPMW-URVOCPGOSA-N 0 0 507.615 6.035 50 30 KKEARN O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000009311689 553239721 /nfs/dbraw/zinc/23/97/21/553239721.db2.gz LYGICIMLABXZCR-ZDLGFXPLSA-N 0 0 504.749 6.162 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000009312628 553240530 /nfs/dbraw/zinc/24/05/30/553240530.db2.gz PEPDSEOWSIUHSJ-VOIUYBSRSA-N 0 0 504.380 5.551 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009334364 553243170 /nfs/dbraw/zinc/24/31/70/553243170.db2.gz UXHOXXQULSTONX-HSZRJFAPSA-N 0 0 502.548 5.105 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009339626 553243719 /nfs/dbraw/zinc/24/37/19/553243719.db2.gz ORFQSNSBZVXPPI-RUZDIDTESA-N 0 0 514.603 6.185 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009350026 553244982 /nfs/dbraw/zinc/24/49/82/553244982.db2.gz GBNOKNXWHVKBOG-IZHWHUGBSA-N 0 0 517.006 6.364 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350875 553245324 /nfs/dbraw/zinc/24/53/24/553245324.db2.gz PHPWPJKDXWPOQQ-IZHWHUGBSA-N 0 0 517.006 6.364 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000009350933 553245333 /nfs/dbraw/zinc/24/53/33/553245333.db2.gz ASLVZURQKFEGQK-FATZIPQQSA-N 0 0 502.979 6.056 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009354047 553245791 /nfs/dbraw/zinc/24/57/91/553245791.db2.gz XDRPSZWCHRHSQV-CHJDUVSTSA-N 0 0 525.645 6.400 50 30 KKEARN Brc1cc(Br)c(OCc2ccccc2)c(C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000009355886 553246588 /nfs/dbraw/zinc/24/65/88/553246588.db2.gz AWKJKOKYPYTNAT-WYMPLXKRSA-N 0 0 500.194 6.113 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357974 553247201 /nfs/dbraw/zinc/24/72/01/553247201.db2.gz SQCDCXLICBCWAH-SMSORMJASA-N 0 0 525.645 6.400 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357986 553247280 /nfs/dbraw/zinc/24/72/80/553247280.db2.gz SQCDCXLICBCWAH-RCRUUEGKSA-N 0 0 525.645 6.400 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000009358898 553247667 /nfs/dbraw/zinc/24/76/67/553247667.db2.gz LOHYTOZNVWUGLX-QFIPXVFZSA-N 0 0 502.405 5.017 50 30 KKEARN C=CCc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000009359303 553247920 /nfs/dbraw/zinc/24/79/20/553247920.db2.gz FZTWJPHGRKGDGA-UHFFFAOYSA-N 0 0 502.636 6.034 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000009359126 553247921 /nfs/dbraw/zinc/24/79/21/553247921.db2.gz UCJTXAWRJQWBFQ-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009358980 553247960 /nfs/dbraw/zinc/24/79/60/553247960.db2.gz PCZGTWUTYXNQRJ-HRFSGMKKSA-N 0 0 515.610 5.054 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009370855 553250123 /nfs/dbraw/zinc/25/01/23/553250123.db2.gz HLJFWCUZZDAZEI-SANMLTNESA-N 0 0 502.567 5.060 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009371027 553250289 /nfs/dbraw/zinc/25/02/89/553250289.db2.gz RANZMAZVGHIMHG-MGBGTMOVSA-N 0 0 522.689 7.989 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009375169 553251175 /nfs/dbraw/zinc/25/11/75/553251175.db2.gz XDRPSZWCHRHSQV-YKGWIAGDSA-N 0 0 525.645 6.400 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009379651 553251275 /nfs/dbraw/zinc/25/12/75/553251275.db2.gz LINRIBTYCIXLBC-MUUNZHRXSA-N 0 0 531.605 5.206 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OC(C)C)cc1 ZINC000009379879 553251593 /nfs/dbraw/zinc/25/15/93/553251593.db2.gz UGAONEQDCRZECK-JCVFDAPQSA-N 0 0 536.716 8.263 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009412491 553257542 /nfs/dbraw/zinc/25/75/42/553257542.db2.gz ZHAVJIRSPJDGBY-QKFKETGDSA-N 0 0 518.616 5.863 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009424109 553258488 /nfs/dbraw/zinc/25/84/88/553258488.db2.gz WYPQMFIZGKUXSP-ACSYHNTCSA-N 0 0 527.617 5.628 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009424252 553258525 /nfs/dbraw/zinc/25/85/25/553258525.db2.gz YGIRHSJUUYIYMF-UZTOHYMASA-N 0 0 501.579 5.806 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009424524 553258716 /nfs/dbraw/zinc/25/87/16/553258716.db2.gz GHOYJSWFXONKHZ-MUUNZHRXSA-N 0 0 525.557 5.660 50 30 KKEARN CC(C)(C)c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(C(C)(C)C)c1O ZINC000009424721 553258901 /nfs/dbraw/zinc/25/89/01/553258901.db2.gz XNDBWXFDQLTAQL-KEEVHDRGSA-N 0 0 512.669 8.106 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C)cc3C)c(OCC)c2)SC1=S ZINC000009425574 553259488 /nfs/dbraw/zinc/25/94/88/553259488.db2.gz XQHAZMMOJJZMQV-JCMHNJIXSA-N 0 0 504.073 6.201 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000009427630 553259983 /nfs/dbraw/zinc/25/99/83/553259983.db2.gz PAVYZWDDEDZSQO-IOYDYCAWSA-N 0 0 507.587 5.046 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(OC)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000009427628 553260017 /nfs/dbraw/zinc/26/00/17/553260017.db2.gz PAVYZWDDEDZSQO-FJOMVMCCSA-N 0 0 507.587 5.046 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1O ZINC000009434492 553263974 /nfs/dbraw/zinc/26/39/74/553263974.db2.gz JPMSWNATIRPQPY-WYMPLXKRSA-N 0 0 504.178 5.929 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000009435967 553264354 /nfs/dbraw/zinc/26/43/54/553264354.db2.gz FNFZIHGSLWFHIY-CPGDBGJXSA-N 0 0 514.651 5.492 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009436164 553264550 /nfs/dbraw/zinc/26/45/50/553264550.db2.gz BTXFQYRDPZXLFI-QYBDOPJKSA-N 0 0 510.615 6.328 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccncc1 ZINC000009451902 553265965 /nfs/dbraw/zinc/26/59/65/553265965.db2.gz SQSIWWYVUHKRLQ-INJOXJOKSA-N 0 0 521.705 7.860 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009454277 553266364 /nfs/dbraw/zinc/26/63/64/553266364.db2.gz IPKJEWQIWHBGJY-ACSYHNTCSA-N 0 0 521.569 5.961 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009459744 553266651 /nfs/dbraw/zinc/26/66/51/553266651.db2.gz GCKLBINBJNVHKW-XMMPIXPASA-N 0 0 516.550 5.606 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000009459480 553266758 /nfs/dbraw/zinc/26/67/58/553266758.db2.gz CEDWHZRMMVNNTQ-PUAOIOHZSA-N 0 0 514.906 6.942 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461138 553267289 /nfs/dbraw/zinc/26/72/89/553267289.db2.gz MBTGKXNYDGMYIW-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009461200 553267398 /nfs/dbraw/zinc/26/73/98/553267398.db2.gz YWENFGXLLXQRLF-LJAQVGFWSA-N 0 0 523.585 6.344 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009461205 553267410 /nfs/dbraw/zinc/26/74/10/553267410.db2.gz SVPDCLCOMVHTGB-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000009464096 553269344 /nfs/dbraw/zinc/26/93/44/553269344.db2.gz QANLBLQGXKTKIV-QHCPKHFHSA-N 0 0 516.575 5.413 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000009471305 553270034 /nfs/dbraw/zinc/27/00/34/553270034.db2.gz FCNPNBAMKVZKPD-GKVSMKOHSA-N 0 0 518.407 5.594 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009477399 553272422 /nfs/dbraw/zinc/27/24/22/553272422.db2.gz KJCANPCOJHJEFP-LJAQVGFWSA-N 0 0 529.633 5.978 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009499548 553274994 /nfs/dbraw/zinc/27/49/94/553274994.db2.gz ZDJGFNNBFRAWET-UHFFFAOYSA-N 0 0 508.997 6.832 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000009507983 553275922 /nfs/dbraw/zinc/27/59/22/553275922.db2.gz LVMAHLDXUSOTKY-HHHXNRCGSA-N 0 0 511.578 5.341 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000009556438 553278906 /nfs/dbraw/zinc/27/89/06/553278906.db2.gz HRSWGAJRGQKXDA-HHHXNRCGSA-N 0 0 513.546 5.245 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000009554018 553278949 /nfs/dbraw/zinc/27/89/49/553278949.db2.gz MTNBBLALQPBGQW-DFHRPNOPSA-N 0 0 507.074 6.499 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2)cc1OC ZINC000009598299 553284297 /nfs/dbraw/zinc/28/42/97/553284297.db2.gz QXNMNRVRAAINPM-DJUQAAIZSA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2C)cc1OC ZINC000009598263 553284302 /nfs/dbraw/zinc/28/43/02/553284302.db2.gz DOEGIDHWYOMUEL-FWUCURJTSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2F)cc1OC ZINC000009598305 553284498 /nfs/dbraw/zinc/28/44/98/553284498.db2.gz FAKOAUJQYDRUKZ-URAOTHONSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1 ZINC000009598324 553284514 /nfs/dbraw/zinc/28/45/14/553284514.db2.gz ZSDUNDDPPFVOEA-SMSORMJASA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2F)cc1OC ZINC000009598304 553284542 /nfs/dbraw/zinc/28/45/42/553284542.db2.gz FAKOAUJQYDRUKZ-DFXYEROKSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccsc2)cc1OC ZINC000009599413 553285496 /nfs/dbraw/zinc/28/54/96/553285496.db2.gz ITWIHCVXYVAJDI-KMRXNPHXSA-N 0 0 514.647 6.074 50 30 KKEARN C=CCN1c2ccccc2[C@@]2(Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)C1=O ZINC000009600922 553286434 /nfs/dbraw/zinc/28/64/34/553286434.db2.gz XGSVKBZRNHODRV-RPLLCQBOSA-N 0 0 516.395 5.387 50 30 KKEARN C=CCc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000009635667 553291823 /nfs/dbraw/zinc/29/18/23/553291823.db2.gz JGEQECQTPJTAFJ-CLBQFBSBSA-N 0 0 513.623 5.487 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000009680308 553296549 /nfs/dbraw/zinc/29/65/49/553296549.db2.gz ZCFRLLZAVWCIRM-PPHZAIPVSA-N 0 0 522.041 6.292 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009720409 553300688 /nfs/dbraw/zinc/30/06/88/553300688.db2.gz XBGAEYDVQOIAHE-GOXGLGGOSA-N 0 0 500.598 6.910 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000009720408 553300704 /nfs/dbraw/zinc/30/07/04/553300704.db2.gz KZOLNJOWKRZNED-HRSMZAPTSA-N 0 0 518.705 7.562 50 30 KKEARN N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1 ZINC000009761151 553302857 /nfs/dbraw/zinc/30/28/57/553302857.db2.gz GHPLPOGOUWPUED-UHFFFAOYSA-N 0 0 515.432 6.885 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000009762906 553303199 /nfs/dbraw/zinc/30/31/99/553303199.db2.gz RDGUBJSUBBFLJX-UHFFFAOYSA-N 0 0 525.472 7.973 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)c(OC)c1 ZINC000009775609 553304269 /nfs/dbraw/zinc/30/42/69/553304269.db2.gz YREMQQGTXFXZJE-UHFFFAOYSA-N 0 0 503.614 6.733 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1 ZINC000009775624 553304438 /nfs/dbraw/zinc/30/44/38/553304438.db2.gz JWKNVAMMHQTJQK-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccc(F)c3)C3=C2CC(C)(C)CC3=O)c(OC)c1 ZINC000009775650 553304458 /nfs/dbraw/zinc/30/44/58/553304458.db2.gz PVXMPLQGDQQQHA-UHFFFAOYSA-N 0 0 503.614 6.733 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000009777553 553306716 /nfs/dbraw/zinc/30/67/16/553306716.db2.gz ACILCGMZFQXJFG-OJEZVBBGSA-N 0 0 519.623 5.263 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000009783062 553308198 /nfs/dbraw/zinc/30/81/98/553308198.db2.gz CQGVQWTXWMYVBB-MGBGTMOVSA-N 0 0 503.642 8.127 50 30 KKEARN COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c1OC ZINC000009805244 553308264 /nfs/dbraw/zinc/30/82/64/553308264.db2.gz GUNMIIZKTCRVAS-JYRCXFKTSA-N 0 0 516.594 5.709 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000009804810 553308283 /nfs/dbraw/zinc/30/82/83/553308283.db2.gz XCBBPKRDTLDPEQ-SFHVURJKSA-N 0 0 519.486 5.479 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009805301 553308608 /nfs/dbraw/zinc/30/86/08/553308608.db2.gz SPDWXCZEXRCRRP-LBEKAKSKSA-N 0 0 511.419 7.073 50 30 KKEARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009846401 553311570 /nfs/dbraw/zinc/31/15/70/553311570.db2.gz GSRXFVXTZIRSTG-PNJMJVHGSA-N 0 0 510.015 5.518 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC ZINC000009846317 553311613 /nfs/dbraw/zinc/31/16/13/553311613.db2.gz UWUDCVSEPDDPAQ-IOYDYCAWSA-N 0 0 507.587 5.046 50 30 KKEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Br)cc1 ZINC000009846341 553311625 /nfs/dbraw/zinc/31/16/25/553311625.db2.gz DIUXIGJOPMVTLH-JJXNMMKVSA-N 0 0 511.239 5.192 50 30 KKEARN CN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009851374 553313184 /nfs/dbraw/zinc/31/31/84/553313184.db2.gz YJENQHSCIFNPDX-CJDFSBOZSA-N 0 0 510.752 6.256 50 30 KKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)S2)cc1C ZINC000009907457 553315998 /nfs/dbraw/zinc/31/59/98/553315998.db2.gz CRHOSDJITXRACQ-DHRITJCHSA-N 0 0 506.458 7.505 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942580 553319719 /nfs/dbraw/zinc/31/97/19/553319719.db2.gz RNWINXWOUAGMCH-OAQYLSRUSA-N 0 0 508.043 5.925 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009985275 553323609 /nfs/dbraw/zinc/32/36/09/553323609.db2.gz FRPGCMHXGQHEDG-RXFWQSSRSA-N 0 0 515.704 6.482 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009985284 553323654 /nfs/dbraw/zinc/32/36/54/553323654.db2.gz FRPGCMHXGQHEDG-FNZWTVRRSA-N 0 0 515.704 6.482 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@](=O)Cc3ccccc3)n2)cc1 ZINC000009993202 553323736 /nfs/dbraw/zinc/32/37/36/553323736.db2.gz NVPDBDHQZUROSD-PNBVQZGLSA-N 0 0 514.672 5.698 50 30 KKEARN CC(C)(C)c1ccc([S@@](=O)C[C@H](O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000009993157 553323773 /nfs/dbraw/zinc/32/37/73/553323773.db2.gz MXBZKEJWZVZWEX-TWEZTRHFSA-N 0 0 526.727 6.846 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Cl)c1 ZINC000009993396 553323978 /nfs/dbraw/zinc/32/39/78/553323978.db2.gz SVGQCCBTCWANLM-NIJXNBFTSA-N 0 0 524.013 5.063 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009993702 553324109 /nfs/dbraw/zinc/32/41/09/553324109.db2.gz PYSUQUNUHDEDOH-LJAQVGFWSA-N 0 0 520.585 6.360 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009994085 553324415 /nfs/dbraw/zinc/32/44/15/553324415.db2.gz JWDOKLVGNAXZCM-XMMPIXPASA-N 0 0 519.395 5.496 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994298 553324678 /nfs/dbraw/zinc/32/46/78/553324678.db2.gz KVIZZCAOKQSNHJ-MUUNZHRXSA-N 0 0 520.670 5.208 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994392 553324964 /nfs/dbraw/zinc/32/49/64/553324964.db2.gz RVJIVVOVNMYQLQ-QFIPXVFZSA-N 0 0 520.607 5.427 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013550 553326054 /nfs/dbraw/zinc/32/60/54/553326054.db2.gz UQSYHAASEFULNB-UZTOHYMASA-N 0 0 504.964 6.619 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000010013535 553326057 /nfs/dbraw/zinc/32/60/57/553326057.db2.gz XJYVXSLJLMUDSF-OLILMLBXSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000010013583 553326097 /nfs/dbraw/zinc/32/60/97/553326097.db2.gz NSOKTZRQSJAWKR-WINIVTDRSA-N 0 0 504.964 6.619 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000010013478 553326101 /nfs/dbraw/zinc/32/61/01/553326101.db2.gz CDBYNNPHLRBDIF-ACSYHNTCSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000010013753 553326200 /nfs/dbraw/zinc/32/62/00/553326200.db2.gz AOXLUSUQLLXMKG-GDJIYFAZSA-N 0 0 514.528 5.694 50 30 KKEARN CC(C)C(=O)Nc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cccc(NC(=O)C(C)C)c3)cc2)c1 ZINC000010060510 553327713 /nfs/dbraw/zinc/32/77/13/553327713.db2.gz TXPFUGRPRURUCL-YTEMWHBBSA-N 0 0 508.618 6.668 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(Cl)cc3)C4=O)c2c1 ZINC000011868862 553348268 /nfs/dbraw/zinc/34/82/68/553348268.db2.gz NHEMVQRGGZHISL-DICXZTSXSA-N 0 0 522.940 7.597 50 30 biogenic KKEARN C=C(Cl)CSc1nnc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)n1-c1ccc(OC)cc1 ZINC000012218224 553354368 /nfs/dbraw/zinc/35/43/68/553354368.db2.gz CHDQXFZYNCXWBM-UHFFFAOYSA-N 0 0 518.042 5.695 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)NCc3ccccc3)c2C#N)cc1OC ZINC000012250276 553355455 /nfs/dbraw/zinc/35/54/55/553355455.db2.gz RRVZHUWXOMJGOQ-UHFFFAOYSA-N 0 0 509.631 6.021 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000012250293 553355635 /nfs/dbraw/zinc/35/56/35/553355635.db2.gz VFQITRLJYJLDTR-UHFFFAOYSA-N 0 0 512.034 7.118 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000012349422 553358834 /nfs/dbraw/zinc/35/88/34/553358834.db2.gz UTFSEPCCTWLGDY-ONOMSOESSA-N 0 0 526.036 6.810 50 30 KKEARN CC(C)(C)c1cc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)n(Cc2ccc(F)cc2)n1 ZINC000012370081 553360070 /nfs/dbraw/zinc/36/00/70/553360070.db2.gz MKCFZTZFSKIUAE-UHFFFAOYSA-N 0 0 512.429 7.123 50 30 KKEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000012376502 553361420 /nfs/dbraw/zinc/36/14/20/553361420.db2.gz SHDDWEHFEITSNC-MSSAIVSKSA-N 0 0 515.969 6.015 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000012402207 553362806 /nfs/dbraw/zinc/36/28/06/553362806.db2.gz BGXGIRDFQUPSQK-QHCPKHFHSA-N 0 0 511.327 5.714 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000012402383 553362823 /nfs/dbraw/zinc/36/28/23/553362823.db2.gz ZWVBMPLXJPNTTQ-KRWDZBQOSA-N 0 0 513.490 7.359 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccccc1)CCCC2 ZINC000012402814 553362954 /nfs/dbraw/zinc/36/29/54/553362954.db2.gz ZPPWTXRFDNPDNM-QHCPKHFHSA-N 0 0 504.652 5.656 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000012411020 553363140 /nfs/dbraw/zinc/36/31/40/553363140.db2.gz WZWWQEWEOHELQN-LKIAPMPTSA-N 0 0 517.607 5.032 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000012410924 553363167 /nfs/dbraw/zinc/36/31/67/553363167.db2.gz UZFMAKVEUCVRQZ-DQHMDIJASA-N 0 0 522.026 5.677 50 30 KKEARN C=C(C)COc1ccc2c(C)c(CCC(=O)N3CCN(c4nsc5ccccc54)CC3)c(=O)oc2c1C ZINC000012407170 553363176 /nfs/dbraw/zinc/36/31/76/553363176.db2.gz MSXWEFUGKQFZSL-UHFFFAOYSA-N 0 0 517.651 5.256 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000012416316 553364878 /nfs/dbraw/zinc/36/48/78/553364878.db2.gz PZSMYODEBVBLBO-QLXKLKPCSA-N 0 0 519.022 6.131 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000012416286 553364903 /nfs/dbraw/zinc/36/49/03/553364903.db2.gz MCZIIRXCDILBES-MRDQGFSESA-N 0 0 521.038 6.116 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@@H]1c1ccccc1OC)CCCC2 ZINC000012416449 553365080 /nfs/dbraw/zinc/36/50/80/553365080.db2.gz OZVKCROEGHCFHF-HSZRJFAPSA-N 0 0 506.624 5.029 50 30 KKEARN N#C[C@@]1(C(N)=O)[C@H]2C=Cc3cc(F)ccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000012429098 553366221 /nfs/dbraw/zinc/36/62/21/553366221.db2.gz HEUYJHKURFMFMC-ANNHOSHMSA-N 0 0 506.364 5.378 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000012468962 553367991 /nfs/dbraw/zinc/36/79/91/553367991.db2.gz FAZDMXDERXSAEC-FJOMVMCCSA-N 0 0 507.587 5.394 50 30 KKEARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(C(C)(C)C)cc1)CC2)C(=O)Nc1ccccc1C#N ZINC000012528915 553384801 /nfs/dbraw/zinc/38/48/01/553384801.db2.gz DMWCAEYDZILYJQ-YVNGDZKUSA-N 0 0 529.640 7.075 50 30 KKEARN CN(C)c1ccc(C(=NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2ccc(N(C)C)cc2)cc1 ZINC000012559439 553393914 /nfs/dbraw/zinc/39/39/14/553393914.db2.gz GNJRSSHHFFSRJE-UHFFFAOYSA-N 0 0 532.710 5.061 50 30 KKEARN COc1cc(OC)cc(-c2cc(/C=C/c3ccc(Cl)c(Cl)c3)c(C#N)c3nc4ccccc4n32)c1 ZINC000012566129 553397037 /nfs/dbraw/zinc/39/70/37/553397037.db2.gz JKFIOHQLDUKSSZ-VQHVLOKHSA-N 0 0 500.385 7.521 50 30 KKEARN O=[N+]([O-])c1cc(/C(=N\OCc2ccc(Cl)cc2Cl)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)ccc1Cl ZINC000012958727 553430254 /nfs/dbraw/zinc/43/02/54/553430254.db2.gz YBAGEQMJQZKMAS-KHEDOYFYSA-N 0 0 519.768 7.008 50 30 KKEARN O=[N+]([O-])c1cc(/C(=N\OCc2ccc(Cl)cc2Cl)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)ccc1Cl ZINC000012958722 553430322 /nfs/dbraw/zinc/43/03/22/553430322.db2.gz YBAGEQMJQZKMAS-PFNBDCEYSA-N 0 0 519.768 7.008 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccsc2)cc1OC ZINC000013081086 553445052 /nfs/dbraw/zinc/44/50/52/553445052.db2.gz NAILFDFOMGCLEV-PIKZIKFNSA-N 0 0 514.647 6.074 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)=C1Nc2ccccc2N1 ZINC000013117693 553449086 /nfs/dbraw/zinc/44/90/86/553449086.db2.gz XJSNJSRWLKHFFR-UHFFFAOYSA-N 0 0 510.019 5.297 50 30 KKEARN COc1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000013130919 553451390 /nfs/dbraw/zinc/45/13/90/553451390.db2.gz MVFZFKNUNYNNOG-CLVAPQHMSA-N 0 0 510.627 6.230 50 30 KKEARN CCCCCOP(=O)(OCCCCC)[C@]1(NS(=O)(=O)c2ccccc2)C=CC(=O)c2ccccc21 ZINC000013136879 553453133 /nfs/dbraw/zinc/45/31/33/553453133.db2.gz UNRLYUPDAJQPTR-AREMUKBSSA-N 0 0 519.600 6.177 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1Cl ZINC000013148728 553456124 /nfs/dbraw/zinc/45/61/24/553456124.db2.gz MFXLLCMKLYEQRD-UHFFFAOYSA-N 0 0 509.440 5.356 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc(C(C)=O)cc3)N(c3ccc(C)cc3)C1=O)S2 ZINC000013285778 553457519 /nfs/dbraw/zinc/45/75/19/553457519.db2.gz ROSUJAQMMYKCON-GZCDXWOBSA-N 0 0 501.633 6.385 50 30 KKEARN COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3OC)c(C)n2-c2ccc(OC)c(OC)c2)cc1 ZINC000013286680 553457824 /nfs/dbraw/zinc/45/78/24/553457824.db2.gz AYOUHMFXCPEHHU-GTWSWNCMSA-N 0 0 500.595 6.428 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)o2)cc1OC ZINC000013303860 553458115 /nfs/dbraw/zinc/45/81/15/553458115.db2.gz VYPDCCTWWRRWGN-IIMAJNMQSA-N 0 0 512.606 5.914 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(C)s2)cc1OC ZINC000013303821 553458117 /nfs/dbraw/zinc/45/81/17/553458117.db2.gz BDHVEPWHTQRKKY-DFXYEROKSA-N 0 0 528.674 6.382 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1Cl ZINC000013323384 553458546 /nfs/dbraw/zinc/45/85/46/553458546.db2.gz CXMDRXALJRLXDZ-UHFFFAOYSA-N 0 0 511.862 6.167 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000013549849 553470237 /nfs/dbraw/zinc/47/02/37/553470237.db2.gz QZIDPBQOHIFTGB-LJAQVGFWSA-N 0 0 527.661 6.486 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013553025 553470943 /nfs/dbraw/zinc/47/09/43/553470943.db2.gz VTTGNBFACRZYAP-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000013570609 553473561 /nfs/dbraw/zinc/47/35/61/553473561.db2.gz HSICJYNNXGLUJQ-AREMUKBSSA-N 0 0 512.631 6.737 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)C[C@H](C)CC5)cc2)cc1 ZINC000013573922 553474527 /nfs/dbraw/zinc/47/45/27/553474527.db2.gz IWPINRFPDXAZDC-ZSTKBLHXSA-N 0 0 509.675 7.275 50 30 KKEARN N#Cc1c(N)nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c1-c1ccco1 ZINC000013574870 553474649 /nfs/dbraw/zinc/47/46/49/553474649.db2.gz BMPBAKWUUHRKGF-MDZDMXLPSA-N 0 0 511.588 5.802 50 30 KKEARN CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c3cc2C1 ZINC000013574618 553474673 /nfs/dbraw/zinc/47/46/73/553474673.db2.gz VBORYQHCSRGDFX-XSSIKURBSA-N 0 0 515.704 7.239 50 30 KKEARN O=C1C[C@H](Sc2cccc(N=Cc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013577406 553475396 /nfs/dbraw/zinc/47/53/96/553475396.db2.gz FCIKHYDLFJUTIQ-ZUICHYAESA-N 0 0 500.363 6.076 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 ZINC000013618742 553478143 /nfs/dbraw/zinc/47/81/43/553478143.db2.gz MANKOFMTZUGLNE-IMRQLAEWSA-N 0 0 523.683 6.814 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013776118 553490035 /nfs/dbraw/zinc/49/00/35/553490035.db2.gz KCMGKKHKRKXFOT-QNHVATRXSA-N 0 0 534.619 5.815 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000013799192 553491031 /nfs/dbraw/zinc/49/10/31/553491031.db2.gz LHYPNDQTFUDNPW-IMRQLAEWSA-N 0 0 523.683 6.814 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013800531 553491229 /nfs/dbraw/zinc/49/12/29/553491229.db2.gz CFTCAOFTZZKQLD-BWAHOGKJSA-N 0 0 501.677 6.638 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013801319 553491385 /nfs/dbraw/zinc/49/13/85/553491385.db2.gz FSHREYLAAUFCBT-LZSGNZRWSA-N 0 0 500.624 5.184 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000013882121 553494187 /nfs/dbraw/zinc/49/41/87/553494187.db2.gz YEFQGGDTEOUHGY-FWUCURJTSA-N 0 0 509.606 7.076 50 30 KKEARN C=CCc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000013896277 553494740 /nfs/dbraw/zinc/49/47/40/553494740.db2.gz YBQKKGQJZLPUEF-DIBXZPPDSA-N 0 0 517.672 6.283 50 30 KKEARN C=CCOc1cc(Br)c(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC ZINC000013914289 553495467 /nfs/dbraw/zinc/49/54/67/553495467.db2.gz JGGUJBLTVVIFET-MFOYZWKCSA-N 0 0 506.194 5.591 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)cc(C)c(COc2ccc(Cl)cc2)c1C ZINC000013916058 553495784 /nfs/dbraw/zinc/49/57/84/553495784.db2.gz XYWFPSHBLWITFR-NDEPHWFRSA-N 0 0 508.058 6.621 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C ZINC000013916065 553495823 /nfs/dbraw/zinc/49/58/23/553495823.db2.gz VPPCSJUGQJHNMM-MHZLTWQESA-N 0 0 508.058 6.621 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000013943745 553497043 /nfs/dbraw/zinc/49/70/43/553497043.db2.gz CACNLCVMNRGKIC-IOYDYCAWSA-N 0 0 523.586 5.012 50 30 KKEARN O=C(CSc1cccc2cccc(Cl)c21)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000014356934 553512204 /nfs/dbraw/zinc/51/22/04/553512204.db2.gz NPNVTRZNOJHJNM-UHFFFAOYSA-N 0 0 502.061 5.475 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000014944861 553521898 /nfs/dbraw/zinc/52/18/98/553521898.db2.gz HEEVFTSCLNCCOL-SWYRRKHMSA-N 0 0 506.023 6.112 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000014944857 553521935 /nfs/dbraw/zinc/52/19/35/553521935.db2.gz HEEVFTSCLNCCOL-YPCDYVTLSA-N 0 0 506.023 6.112 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2CCC)cc1OCC ZINC000015010888 553525421 /nfs/dbraw/zinc/52/54/21/553525421.db2.gz LJENTXHYVKMRJK-RGEXLXHISA-N 0 0 516.379 5.841 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133588 553528269 /nfs/dbraw/zinc/52/82/69/553528269.db2.gz ALSPGQDIZNGPHU-SOBWUQEYSA-N 0 0 504.589 6.793 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000015162942 553528449 /nfs/dbraw/zinc/52/84/49/553528449.db2.gz UWPABDBSYCOIIQ-YITXEANASA-N 0 0 512.609 6.211 50 30 KKEARN CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)Nc2cccc(/C=C/C(=O)c3ccccc3)c2)c1 ZINC000015163178 553528497 /nfs/dbraw/zinc/52/84/97/553528497.db2.gz XMJQDLGKMLPYCS-FOCLMDBBSA-N 0 0 525.649 6.804 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000015188166 553528712 /nfs/dbraw/zinc/52/87/12/553528712.db2.gz RZRBGEGSAUNCPA-DWSOQSMHSA-N 0 0 512.609 6.265 50 30 KKEARN CCOc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(OC)c(OC)c1OC)C[C@@H](C)CC2 ZINC000015945645 553544022 /nfs/dbraw/zinc/54/40/22/553544022.db2.gz FNBGQWIKLPQVID-VBICMNQQSA-N 0 0 508.640 6.300 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC ZINC000015945589 553544045 /nfs/dbraw/zinc/54/40/45/553544045.db2.gz LSRLWEZLFCIUQL-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN CCOc1cc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000015945330 553544050 /nfs/dbraw/zinc/54/40/50/553544050.db2.gz ZBFBRAJSHKMTLW-DFKUXCBWSA-N 0 0 523.614 6.456 50 30 KKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3ccc(OC)c(OC)c3OC)sc3c2CCCC3)cc1 ZINC000015945840 553544215 /nfs/dbraw/zinc/54/42/15/553544215.db2.gz ZVQPYBXSLVAVKB-RWPZCVJISA-N 0 0 508.596 5.442 50 30 KKEARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000015945832 553544236 /nfs/dbraw/zinc/54/42/36/553544236.db2.gz SWEVYOMKYYASNR-FSJBWODESA-N 0 0 505.933 5.421 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000016034280 553551770 /nfs/dbraw/zinc/55/17/70/553551770.db2.gz FRPPLAWOEPCRGN-BSVVFNILSA-N 0 0 527.590 6.892 50 30 KKEARN C[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2ccccc2SCC#N)/C(=C\c2ccco2)C1 ZINC000016044113 553553624 /nfs/dbraw/zinc/55/36/24/553553624.db2.gz YMMOPFGBRSWVMR-QGBVPWCLSA-N 0 0 523.614 6.362 50 30 KKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016216746 553556976 /nfs/dbraw/zinc/55/69/76/553556976.db2.gz HGZPNLFIVPZARE-JPZYQRIQSA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccc(CN2c3ccccc3NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016216743 553557023 /nfs/dbraw/zinc/55/70/23/553557023.db2.gz HGZPNLFIVPZARE-UVDDSOTQSA-N 0 0 511.021 7.516 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000016286632 553558843 /nfs/dbraw/zinc/55/88/43/553558843.db2.gz BOYRTHONCDJYLG-HXUWFJFHSA-N 0 0 504.568 5.289 50 30 KKEARN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)CCCC2 ZINC000016398765 553562301 /nfs/dbraw/zinc/56/23/01/553562301.db2.gz RHRZRKCPQJFINT-WCMJOSRZSA-N 0 0 500.586 7.719 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1CN=Nc1nc3ccc(Br)cc3c(-c3ccccc3)n1)OCCO2 ZINC000016492457 553566678 /nfs/dbraw/zinc/56/66/78/553566678.db2.gz TZJYEURSABFGRE-DHRITJCHSA-N 0 0 506.316 5.185 50 30 KKEARN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1 ZINC000016648265 553570900 /nfs/dbraw/zinc/57/09/00/553570900.db2.gz BGBWJQMPGMFTRK-UHFFFAOYSA-N 0 0 507.638 5.801 50 30 KKEARN Cc1c(-n2c(-c3ccccc3)cs/c2=N\N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000016711544 553574992 /nfs/dbraw/zinc/57/49/92/553574992.db2.gz LARVJBUXMSAFPC-VAOREXKLSA-N 0 0 500.027 5.592 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016729525 553575591 /nfs/dbraw/zinc/57/55/91/553575591.db2.gz XAUZKLVQMAKBSD-JOCHJYFZSA-N 0 0 520.607 5.508 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016731122 553577113 /nfs/dbraw/zinc/57/71/13/553577113.db2.gz QAQSTTFSUHNLSL-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732186 553577505 /nfs/dbraw/zinc/57/75/05/553577505.db2.gz UXLPHCDLEXTZHD-QFIPXVFZSA-N 0 0 504.564 5.010 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000016732873 553577675 /nfs/dbraw/zinc/57/76/75/553577675.db2.gz LSIKJSKWULXLQP-RBJSKKJNSA-N 0 0 537.653 5.810 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCc1ccccc1F ZINC000016733025 553577894 /nfs/dbraw/zinc/57/78/94/553577894.db2.gz KZMVCZKAWCRTKE-UHFFFAOYSA-N 0 0 512.503 7.789 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C ZINC000016734748 553578650 /nfs/dbraw/zinc/57/86/50/553578650.db2.gz YJPKKOIEKGFSNF-DUAIZULJSA-N 0 0 535.637 5.201 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)ccc1OCCC(C)C ZINC000016735882 553578816 /nfs/dbraw/zinc/57/88/16/553578816.db2.gz FUQGKNBRZANSHD-UHFFFAOYSA-N 0 0 505.005 8.318 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741949 553579997 /nfs/dbraw/zinc/57/99/97/553579997.db2.gz YWDZHEVFTYAQEH-AREMUKBSSA-N 0 0 502.567 5.056 50 30 KKEARN O=C(Nc1sc(N=NCc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000016751460 553580649 /nfs/dbraw/zinc/58/06/49/553580649.db2.gz HFJPQNAFMWZVRU-VULFUBBASA-N 0 0 511.832 6.924 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)SC1=S ZINC000016790737 553582489 /nfs/dbraw/zinc/58/24/89/553582489.db2.gz TVHDZAKDCXIIMB-MOSHPQCFSA-N 0 0 512.454 5.698 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1Cl ZINC000016805647 553582989 /nfs/dbraw/zinc/58/29/89/553582989.db2.gz XXKKXORYFNFLRD-VWLOTQADSA-N 0 0 507.970 5.756 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)n3)sc2C1 ZINC000017130634 553588398 /nfs/dbraw/zinc/58/83/98/553588398.db2.gz MHDZVADHILAAIA-GASCZTMLSA-N 0 0 515.664 5.702 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000017160192 553589309 /nfs/dbraw/zinc/58/93/09/553589309.db2.gz ONQFSNCEYQZHNT-NRUKRWIHSA-N 0 0 518.588 7.049 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017166801 553589588 /nfs/dbraw/zinc/58/95/88/553589588.db2.gz FSEKYVOGXCJFNB-IEZKXTBUSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000017166775 553589602 /nfs/dbraw/zinc/58/96/02/553589602.db2.gz FCVNXKLLACWGMB-KSNOWIBYSA-N 0 0 524.013 5.063 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576229 553591179 /nfs/dbraw/zinc/59/11/79/553591179.db2.gz GJXLGRVQUNDZER-GXSJLCMTSA-N 0 0 601.209 6.506 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000068589235 553592127 /nfs/dbraw/zinc/59/21/27/553592127.db2.gz UJOKEDZKLKJFDD-UHFFFAOYSA-N 0 0 562.242 10.782 50 30 KKEARN CCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)CO6)O[C@H]5C[C@H]4[C@@H]3CC[C@H]2C1 ZINC000070665856 553597220 /nfs/dbraw/zinc/59/72/20/553597220.db2.gz BVMVRPVYRJQROP-UIMUDVPMSA-N 0 0 556.872 9.095 50 30 biogenic KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070665890 553597480 /nfs/dbraw/zinc/59/74/80/553597480.db2.gz JGUZEORGVGLUSD-AWTZXSBLSA-N 0 0 512.863 10.588 50 30 biogenic KKEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)c2cc(C(=O)/C=C/c4ccc(OC)cc4OC)ccc2n3C)c(OC)c1 ZINC000070665930 553597511 /nfs/dbraw/zinc/59/75/11/553597511.db2.gz TUPGIRHXUASQPC-OTYYAQKOSA-N 0 0 561.634 7.158 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Br)cc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070669843 553599204 /nfs/dbraw/zinc/59/92/04/553599204.db2.gz NKSQQJAYNSNXJQ-GTZQZZKMSA-N 0 0 635.727 9.842 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Br)cc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070669841 553599220 /nfs/dbraw/zinc/59/92/20/553599220.db2.gz NKSQQJAYNSNXJQ-OYIUTVGDSA-N 0 0 635.727 9.842 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070669836 553599230 /nfs/dbraw/zinc/59/92/30/553599230.db2.gz CDQMFMRWVGTBOW-AOMXORPHSA-N 0 0 586.857 9.088 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(OC)c6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070669850 553599235 /nfs/dbraw/zinc/59/92/35/553599235.db2.gz WPSBODQYFORBIF-CXQQNRLFSA-N 0 0 616.883 9.097 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000017819508 553600042 /nfs/dbraw/zinc/60/00/42/553600042.db2.gz UJFUHSGUWSDHNI-VWLOTQADSA-N 0 0 566.078 7.712 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017951225 553600717 /nfs/dbraw/zinc/60/07/17/553600717.db2.gz QQHYAQUYNOOSLO-DEOSSOPVSA-N 0 0 525.483 6.560 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC[C@]5(c6ccccc6)CCO[C@H](C(C)C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070672007 553601508 /nfs/dbraw/zinc/60/15/08/553601508.db2.gz JISYTCWHNSEYLK-DCKXOICHSA-N 0 0 614.871 6.965 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018101258 553604075 /nfs/dbraw/zinc/60/40/75/553604075.db2.gz PDIOPRJTKIVOGS-XRHLQHRESA-N 0 0 556.968 6.820 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000018116281 553604719 /nfs/dbraw/zinc/60/47/19/553604719.db2.gz WCQNWLUMYBCBJD-UDNBHOFDSA-N 0 0 525.649 6.580 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018116334 553604773 /nfs/dbraw/zinc/60/47/73/553604773.db2.gz VWPJLJBEVRWZLJ-IIMAJNMQSA-N 0 0 514.597 6.400 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1cccc(CC)c1)cn2CC ZINC000020183394 553605250 /nfs/dbraw/zinc/60/52/50/553605250.db2.gz INGGYRYPHHHFOK-OVVQPSECSA-N 0 0 513.733 5.355 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000018130747 553605708 /nfs/dbraw/zinc/60/57/08/553605708.db2.gz ZYSVDVFAWZLEJE-DCFHFQCYSA-N 0 0 506.524 6.467 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000018137087 553605767 /nfs/dbraw/zinc/60/57/67/553605767.db2.gz CKZBFZYZUNEYFC-WXTAPIANSA-N 0 0 510.487 6.297 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000018142930 553606006 /nfs/dbraw/zinc/60/60/06/553606006.db2.gz MLSJSZFTSVEINR-JPQMRUPTSA-N 0 0 512.625 7.315 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000018153933 553606320 /nfs/dbraw/zinc/60/63/20/553606320.db2.gz DCQWCDCJHQZLPW-RCRUUEGKSA-N 0 0 524.617 5.718 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000018169452 553606808 /nfs/dbraw/zinc/60/68/08/553606808.db2.gz MPHOTNACJBJPJE-XDCSYDRFSA-N 0 0 552.678 7.035 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018172528 553607212 /nfs/dbraw/zinc/60/72/12/553607212.db2.gz AVAHFWFFLUFJHE-AFJIDDCJSA-N 0 0 502.998 6.278 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000018172568 553607216 /nfs/dbraw/zinc/60/72/16/553607216.db2.gz NTILTAXXHDKBHE-HPMVVLTCSA-N 0 0 508.662 7.485 50 30 KKEARN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2cccc3ccccc32)sc2c1CCCC2 ZINC000018173444 553607247 /nfs/dbraw/zinc/60/72/47/553607247.db2.gz SNAKYSPEHXKDDF-KEIPNQJHSA-N 0 0 516.666 8.362 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070687837 553607667 /nfs/dbraw/zinc/60/76/67/553607667.db2.gz PKAPKLCGHVIAEA-SCWDCIOVSA-N 0 0 598.869 6.889 50 30 biogenic KKEARN CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)[C@H](CC)CCCC)c1 ZINC000018180747 553607697 /nfs/dbraw/zinc/60/76/97/553607697.db2.gz KGYMHKNNSBSTMO-IPBJYNAHSA-N 0 0 516.726 8.225 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(COc3ccc(Cl)c(Cl)c3)c(OCC)c2)c1 ZINC000018192488 553607978 /nfs/dbraw/zinc/60/79/78/553607978.db2.gz UAVMXWFTJIHNGH-HXUWFJFHSA-N 0 0 513.421 6.691 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000018191544 553608009 /nfs/dbraw/zinc/60/80/09/553608009.db2.gz TYNYMHSRRVTGBZ-SMSORMJASA-N 0 0 553.615 5.921 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000018195382 553608671 /nfs/dbraw/zinc/60/86/71/553608671.db2.gz ANAIODPPQUFXRQ-UHFFFAOYSA-N 0 0 504.533 7.290 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccc(Oc3ccccc3)c2)cc1OC ZINC000018197293 553608896 /nfs/dbraw/zinc/60/88/96/553608896.db2.gz GJXOCJIMAIEVEZ-SIBVEZHUSA-N 0 0 509.562 5.883 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(-c4ccccc4)cc3)C2)cc(OC)c1OC ZINC000018198256 553609190 /nfs/dbraw/zinc/60/91/90/553609190.db2.gz KSUDIMTWUBJKFJ-RBTNQOKQSA-N 0 0 508.578 5.387 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000018198263 553609457 /nfs/dbraw/zinc/60/94/57/553609457.db2.gz MRVUTCIFDUMCAF-AMXDTQDGSA-N 0 0 501.370 5.026 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000018206121 553610441 /nfs/dbraw/zinc/61/04/41/553610441.db2.gz DJTLABYYEVTKAM-HSZRJFAPSA-N 0 0 508.615 5.549 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692351 553611127 /nfs/dbraw/zinc/61/11/27/553611127.db2.gz VVQIDXMVROQASW-CIRLIIRMSA-N 0 0 506.771 9.900 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000018249475 553611328 /nfs/dbraw/zinc/61/13/28/553611328.db2.gz QVJQPGXWPBSGTB-SANMLTNESA-N 0 0 515.481 7.725 50 30 KKEARN CC(=O)[C@H]1[C@@H]([C@@H](C#N)c2nc(-c3ccccc3)cs2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697702 553613058 /nfs/dbraw/zinc/61/30/58/553613058.db2.gz LWIGAZWGTRVWEI-PONVWMSPSA-N 0 0 514.735 7.172 50 30 biogenic KKEARN CCCCCCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000070697985 553613599 /nfs/dbraw/zinc/61/35/99/553613599.db2.gz HAMBDHSRGCJPLV-DEOSSOPVSA-N 0 0 510.675 6.026 50 30 biogenic KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C ZINC000019708093 553615310 /nfs/dbraw/zinc/61/53/10/553615310.db2.gz GSUCCYATFBKJSC-UHFFFAOYSA-N 0 0 523.633 5.849 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000019804563 553617406 /nfs/dbraw/zinc/61/74/06/553617406.db2.gz JFHOGYZOKCWRGU-XMMPIXPASA-N 0 0 516.937 5.569 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019804591 553617769 /nfs/dbraw/zinc/61/77/69/553617769.db2.gz ITIBYLFQDOXKNL-DEOSSOPVSA-N 0 0 516.391 5.770 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000019830819 553622697 /nfs/dbraw/zinc/62/26/97/553622697.db2.gz QYFOWFHGFDHNCE-IIMAJNMQSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000019830887 553622760 /nfs/dbraw/zinc/62/27/60/553622760.db2.gz AWYQMKYSPLIQKW-WRONEBCDSA-N 0 0 517.622 5.560 50 30 KKEARN CCCCOc1c(I)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000019832265 553623037 /nfs/dbraw/zinc/62/30/37/553623037.db2.gz FXSUMLFCHAOLNO-UHFFFAOYSA-N 0 0 521.395 5.180 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019848735 553623866 /nfs/dbraw/zinc/62/38/66/553623866.db2.gz XLUZFRMFDZZCMI-FUFSCUOVSA-N 0 0 508.574 5.742 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857801 553628708 /nfs/dbraw/zinc/62/87/08/553628708.db2.gz JAWBIOILPSGLPP-CTUHWIOQSA-N 0 0 507.652 5.551 50 30 KKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019880612 553629243 /nfs/dbraw/zinc/62/92/43/553629243.db2.gz NEYBMRWJRMEGLA-SKCUWOTOSA-N 0 0 501.623 5.592 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000019880967 553629485 /nfs/dbraw/zinc/62/94/85/553629485.db2.gz CBBQCOKUNOFLPT-SSOJOUAXSA-N 0 0 512.002 5.376 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019881775 553629864 /nfs/dbraw/zinc/62/98/64/553629864.db2.gz ARDRAZJSULHJRI-PBBNMVCDSA-N 0 0 535.637 5.042 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019892492 553630832 /nfs/dbraw/zinc/63/08/32/553630832.db2.gz GAOPVJJIRKHPDX-CHJDUVSTSA-N 0 0 533.665 6.196 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019892489 553630840 /nfs/dbraw/zinc/63/08/40/553630840.db2.gz GAOPVJJIRKHPDX-SMSORMJASA-N 0 0 533.665 6.196 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000019892607 553631072 /nfs/dbraw/zinc/63/10/72/553631072.db2.gz AVGGARYPVPEIMQ-HPORLSDASA-N 0 0 505.611 5.416 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019892634 553631134 /nfs/dbraw/zinc/63/11/34/553631134.db2.gz XKHBEVUNBSZZQV-CCLHPLFOSA-N 0 0 525.642 5.501 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019892685 553631302 /nfs/dbraw/zinc/63/13/02/553631302.db2.gz PHSTUHDROAUBFG-QXEZREHESA-N 0 0 535.637 5.424 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000019892678 553631309 /nfs/dbraw/zinc/63/13/09/553631309.db2.gz VKVVZFWBZZNONR-KMRXNPHXSA-N 0 0 521.679 6.131 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)cc1 ZINC000019892708 553631336 /nfs/dbraw/zinc/63/13/36/553631336.db2.gz OXIXMDMLCJOISA-RBISFHTESA-N 0 0 521.679 5.670 50 30 KKEARN Cc1ccc(NC(=O)[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@H]5[C@@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C)[C@]3(C)C2)cc1 ZINC000070708522 553633069 /nfs/dbraw/zinc/63/30/69/553633069.db2.gz IOQDUGCPGORFQZ-WIXSASOLSA-N 0 0 573.862 8.665 50 30 biogenic KKEARN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000071329359 553635303 /nfs/dbraw/zinc/63/53/03/553635303.db2.gz KJUKTENZPXBOCV-UHFFFAOYSA-N 0 0 520.607 6.388 50 30 KKEARN CC#Cc1ccc2c(c1)C(CC[C@H](C)CCCC(C)C)(CC[C@H](C)CCCC(C)C)c1cc(C#CC)ccc1-2 ZINC000071775082 553637097 /nfs/dbraw/zinc/63/70/97/553637097.db2.gz ZNUBKBKYSFWKMS-ROJLCIKYSA-N 0 0 522.861 11.181 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000020310845 553637601 /nfs/dbraw/zinc/63/76/01/553637601.db2.gz MYZILJIZHDEHMN-UHFFFAOYSA-N 0 0 519.454 5.716 50 30 KKEARN COc1cccc(Cn2c(SCC(=O)Nc3cccc(C#N)c3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 ZINC000072333424 553650635 /nfs/dbraw/zinc/65/06/35/553650635.db2.gz VBHZOQPXBZTDHX-UHFFFAOYSA-N 0 0 521.602 5.051 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000079204026 553669344 /nfs/dbraw/zinc/66/93/44/553669344.db2.gz BCTSRFZIGSWYBF-TWIREXCISA-N 0 0 682.727 9.684 50 30 biogenic KKEARN C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1[C@@H](C)Oc1ccccc1Cl ZINC000020551489 553671445 /nfs/dbraw/zinc/67/14/45/553671445.db2.gz ZNJSZYLXUHNVTL-OAHLLOKOSA-N 0 0 513.044 6.402 50 30 KKEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079216847 553671500 /nfs/dbraw/zinc/67/15/00/553671500.db2.gz ARRUWGUXCIWXKQ-DHDIQJJWSA-N 0 0 677.879 5.146 50 30 biogenic KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000020069760 553675990 /nfs/dbraw/zinc/67/59/90/553675990.db2.gz CRRFTBFYSQLDSI-HSZRJFAPSA-N 0 0 510.434 5.426 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879511 553689673 /nfs/dbraw/zinc/68/96/73/553689673.db2.gz KIEPMLPCRBZYPU-RUZDIDTESA-N 0 0 542.628 7.355 50 30 biogenic KKEARN O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000020115399 553697097 /nfs/dbraw/zinc/69/70/97/553697097.db2.gz ONAZDXDPLLEKNJ-HOFJZWJUSA-N 0 0 501.470 7.276 50 30 KKEARN COc1ccc(Br)cc1/C=C1\CN(C)C/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000020115425 553697103 /nfs/dbraw/zinc/69/71/03/553697103.db2.gz OXCYJMNWPPEJGW-GONBZBRSSA-N 0 0 507.222 5.210 50 30 KKEARN N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC1)CCCC2 ZINC000020827175 553698931 /nfs/dbraw/zinc/69/89/31/553698931.db2.gz MLOPUMGGVGQZNE-UHFFFAOYSA-N 0 0 522.505 6.325 50 30 KKEARN FC(F)(F)C(c1nc(N(c2ccccc2)c2ccccc2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000095100409 553698958 /nfs/dbraw/zinc/69/89/58/553698958.db2.gz GVIFQNVKYTUWRR-UHFFFAOYSA-N 0 0 684.325 9.191 50 30 KKEARN O=[N+]([O-])c1cccc(Nc2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)c1 ZINC000095100405 553698979 /nfs/dbraw/zinc/69/89/79/553698979.db2.gz DZQDXYUZMZFWSQ-UHFFFAOYSA-N 0 0 653.224 7.373 50 30 KKEARN O=C(c1ccccc1)N1CCN(c2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)CC1 ZINC000095100417 553698996 /nfs/dbraw/zinc/69/89/96/553698996.db2.gz JAAHSYJYWCWEOO-UHFFFAOYSA-N 0 0 705.344 6.683 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095100614 553699146 /nfs/dbraw/zinc/69/91/46/553699146.db2.gz QCSAVEZBIBPLJM-UHFFFAOYSA-N 0 0 607.182 7.653 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100617 553699245 /nfs/dbraw/zinc/69/92/45/553699245.db2.gz WPNSMBKTSSLOGG-WPRPVWTQSA-N 0 0 616.180 6.406 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@H](c2cccc(Cl)c2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000020850271 553699597 /nfs/dbraw/zinc/69/95/97/553699597.db2.gz YCCXNMMEMBGICT-HSZRJFAPSA-N 0 0 509.031 5.573 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000020850557 553699886 /nfs/dbraw/zinc/69/98/86/553699886.db2.gz AAVONNBNYWUGAB-NRFANRHFSA-N 0 0 503.430 6.674 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2cccc(Br)c2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850617 553699935 /nfs/dbraw/zinc/69/99/35/553699935.db2.gz OSJINDZTESRQNC-QHCPKHFHSA-N 0 0 523.500 6.608 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850629 553699941 /nfs/dbraw/zinc/69/99/41/553699941.db2.gz VAACAOYCKBCFMQ-QHCPKHFHSA-N 0 0 523.500 6.608 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000020850478 553699956 /nfs/dbraw/zinc/69/99/56/553699956.db2.gz SJJFMQYYQDVZDU-NRFANRHFSA-N 0 0 503.430 6.674 50 30 KKEARN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850906 553700201 /nfs/dbraw/zinc/70/02/01/553700201.db2.gz JGRGDCFAKYKHFZ-QFIPXVFZSA-N 0 0 509.473 6.299 50 30 KKEARN COc1ccc(CN=C(Nc2ccc(Cl)cc2)S[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000095101399 553700402 /nfs/dbraw/zinc/70/04/02/553700402.db2.gz SSRGIUKVBAKBKW-DEOSSOPVSA-N 0 0 508.043 5.808 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000095346106 553700666 /nfs/dbraw/zinc/70/06/66/553700666.db2.gz BOSGKGFRNXTWMA-NDEPHWFRSA-N 0 0 523.589 5.145 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000095346105 553700688 /nfs/dbraw/zinc/70/06/88/553700688.db2.gz BOSGKGFRNXTWMA-MUUNZHRXSA-N 0 0 523.589 5.145 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccco5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471792 553701364 /nfs/dbraw/zinc/70/13/64/553701364.db2.gz MPAPPMPDRHHDIF-PMTXFNEQSA-N 0 0 518.782 8.732 50 30 KKEARN CCC[C@@H]1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000095471659 553701417 /nfs/dbraw/zinc/70/14/17/553701417.db2.gz WTMUXVDKPPSSBO-WUVQHWOTSA-N 0 0 510.457 6.245 50 30 KKEARN CC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671268 553707226 /nfs/dbraw/zinc/70/72/26/553707226.db2.gz VDLOMMAXELCHDN-UHFFFAOYSA-N 0 0 506.196 6.547 50 30 KKEARN C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681732 553707616 /nfs/dbraw/zinc/70/76/16/553707616.db2.gz WNVNMSONKCMAPU-LURJTMIESA-N 0 0 612.223 6.501 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000095681702 553707623 /nfs/dbraw/zinc/70/76/23/553707623.db2.gz OWIAIPIQXHPUHV-UHFFFAOYSA-N 0 0 548.965 6.984 50 30 KKEARN FC(F)(F)c1cnc(Sc2ncn(-c3ccc4c(n3)nc(C(F)(F)F)cc4C(F)(F)F)n2)c(Cl)c1 ZINC000095691537 553708294 /nfs/dbraw/zinc/70/82/94/553708294.db2.gz WWJCIPDIIPMYFW-UHFFFAOYSA-N 0 0 544.790 6.467 50 30 KKEARN C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095697028 553708429 /nfs/dbraw/zinc/70/84/29/553708429.db2.gz QPVJROJBHCURKR-UHFFFAOYSA-N 0 0 554.143 6.360 50 30 KKEARN O=C(CSc1nnc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)o1)Nc1ccccc1C(F)(F)F ZINC000095703753 553708984 /nfs/dbraw/zinc/70/89/84/553708984.db2.gz VGJUERVNGRYLEM-UHFFFAOYSA-N 0 0 575.409 6.368 50 30 KKEARN O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccc1OCC(F)(F)F ZINC000095704675 553709349 /nfs/dbraw/zinc/70/93/49/553709349.db2.gz RLJHHSCKRNRQGB-UHFFFAOYSA-N 0 0 501.754 6.120 50 30 KKEARN CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095707706 553709384 /nfs/dbraw/zinc/70/93/84/553709384.db2.gz JQORHOKRJWQEIB-UHFFFAOYSA-N 0 0 574.149 6.532 50 30 KKEARN O=P(/N=C(\N=C(c1ccccc1)c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000021487035 553710181 /nfs/dbraw/zinc/71/01/81/553710181.db2.gz ACZUMIPNKUMJQW-YJKCNMNRSA-N 0 0 516.537 8.237 50 30 KKEARN CCc1cccc(CC)c1NC(=O)[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1 ZINC000095723034 553710321 /nfs/dbraw/zinc/71/03/21/553710321.db2.gz KNNRUMHAFLSFMX-AREMUKBSSA-N 0 0 551.659 8.297 50 30 KKEARN COC(=O)c1csc2c1nc(N1CCN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)cc2C(F)(F)F ZINC000095742536 553711789 /nfs/dbraw/zinc/71/17/89/553711789.db2.gz PSPJMWJUVBNLOF-UHFFFAOYSA-N 0 0 616.531 6.658 50 30 KKEARN O=C(OCc1ccc(Cl)cc1)c1cnc(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(F)(F)F ZINC000095742551 553711816 /nfs/dbraw/zinc/71/18/16/553711816.db2.gz SPUZJXXFORFMCP-UHFFFAOYSA-N 0 0 560.825 7.695 50 30 KKEARN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742541 553711832 /nfs/dbraw/zinc/71/18/32/553711832.db2.gz MMEACQXWCXRWMJ-UHFFFAOYSA-N 0 0 588.473 8.192 50 30 KKEARN O=C(Nc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1)Nc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1 ZINC000095742677 553712177 /nfs/dbraw/zinc/71/21/77/553712177.db2.gz QCWIYZJVRYXLNW-UHFFFAOYSA-N 0 0 770.538 9.901 50 30 KKEARN CCOC(=O)C(O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742692 553712207 /nfs/dbraw/zinc/71/22/07/553712207.db2.gz UVIYMGWNTVPLEX-UHFFFAOYSA-N 0 0 528.289 6.561 50 30 KKEARN O=C(NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000095742672 553712210 /nfs/dbraw/zinc/71/22/10/553712210.db2.gz LUHYHKZYDULBDL-UHFFFAOYSA-N 0 0 593.795 8.935 50 30 KKEARN C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2)cc1Br ZINC000095851467 553714204 /nfs/dbraw/zinc/71/42/04/553714204.db2.gz PWXTUWQHMIFLKL-UHFFFAOYSA-N 0 0 624.005 8.192 50 30 KKEARN C=CCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000022327387 553737793 /nfs/dbraw/zinc/73/77/93/553737793.db2.gz WHVWGEMKOYDZDK-UHFFFAOYSA-N 0 0 501.067 5.823 50 30 KKEARN C=CCn1c(SCc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)nnc1-c1ccco1 ZINC000096292089 553745604 /nfs/dbraw/zinc/74/56/04/553745604.db2.gz COUCBLQZIYJUQA-UHFFFAOYSA-N 0 0 503.603 5.118 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(Cc4ccc(F)cc4Cl)CC3)sc2C1 ZINC000022752577 553749920 /nfs/dbraw/zinc/74/99/20/553749920.db2.gz ULJKZPYPUSGDNY-LJQANCHMSA-N 0 0 517.114 5.710 50 30 KKEARN COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc(OC)c1OC ZINC000096319744 553751776 /nfs/dbraw/zinc/75/17/76/553751776.db2.gz DFKXIJAWZYOQGK-HSZRJFAPSA-N 0 0 524.618 5.393 50 30 KKEARN CC(C)(C)c1cc(Cl)c(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000096563440 553755889 /nfs/dbraw/zinc/75/58/89/553755889.db2.gz DBYQQOUSHXHMFK-WMXIRLPISA-N 0 0 503.514 7.849 50 30 KKEARN CCOc1cc(/C=C2/CC/C(=C/c3ccc(OC4CCCC4)c(OCC)c3)C2=O)ccc1OC1CCCC1 ZINC000096594360 553756699 /nfs/dbraw/zinc/75/66/99/553756699.db2.gz FTJKDHUDUBJXGO-DQIQZUARSA-N 0 0 516.678 7.957 50 30 KKEARN CCCN1C(=O)/C(=C/c2cc(OC)c(OCC)cc2Br)S/C1=N/c1ccc(OC)cc1 ZINC000097466911 553758861 /nfs/dbraw/zinc/75/88/61/553758861.db2.gz CWWGYBUXWVAMMY-IAUUDGPGSA-N 0 0 505.434 5.879 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939644 553759978 /nfs/dbraw/zinc/75/99/78/553759978.db2.gz SMMNKVVVHMAHFE-RYTUXRKISA-N 0 0 531.630 5.247 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000097939637 553759997 /nfs/dbraw/zinc/75/99/97/553759997.db2.gz DGVNITGPVSEIEZ-QYBDOPJKSA-N 0 0 535.687 5.821 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000097939769 553760994 /nfs/dbraw/zinc/76/09/94/553760994.db2.gz TXBYDRWLUHDEGH-RBTNQOKQSA-N 0 0 544.629 5.949 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000097939807 553761638 /nfs/dbraw/zinc/76/16/38/553761638.db2.gz VUZAVRPTVNABEB-DFXYEROKSA-N 0 0 592.614 6.732 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939833 553761642 /nfs/dbraw/zinc/76/16/42/553761642.db2.gz LMMODBDYLBQRDJ-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000097939829 553761651 /nfs/dbraw/zinc/76/16/51/553761651.db2.gz WKCFYMROEJCLDK-ROTAYESASA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000097939866 553761864 /nfs/dbraw/zinc/76/18/64/553761864.db2.gz CWVPMTMJJXZOFQ-URAOTHONSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000097939865 553761877 /nfs/dbraw/zinc/76/18/77/553761877.db2.gz CWVPMTMJJXZOFQ-JRPXNJEYSA-N 0 0 559.062 6.366 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939915 553762471 /nfs/dbraw/zinc/76/24/71/553762471.db2.gz ZGRCPTCXKMLPSU-RBBQXQBVSA-N 0 0 582.697 6.420 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(Br)cc2)cc1OC ZINC000097939925 553762530 /nfs/dbraw/zinc/76/25/30/553762530.db2.gz GZWVWGLQEYCUDL-YKGWIAGDSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939938 553762756 /nfs/dbraw/zinc/76/27/56/553762756.db2.gz AZHZUCPLBXNAJN-JPZYQRIQSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939956 553762770 /nfs/dbraw/zinc/76/27/70/553762770.db2.gz WZTYOJRTVJNJPP-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939958 553762800 /nfs/dbraw/zinc/76/28/00/553762800.db2.gz WZTYOJRTVJNJPP-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN CC[C@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCN(c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3)CC2)n1 ZINC000097940224 553763758 /nfs/dbraw/zinc/76/37/58/553763758.db2.gz PUCFKBJPLGEKFI-QMMMGPOBSA-N 0 0 813.445 6.210 50 30 KKEARN FC(F)(F)C(Oc1nc(Nc2ccc(Br)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000097940207 553763817 /nfs/dbraw/zinc/76/38/17/553763817.db2.gz PGXSJGLJQZEYHQ-UHFFFAOYSA-N 0 0 583.127 6.122 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1CCN(c2nc(Cl)nc(N(c3ccccc3)c3ccccc3)n2)CC1 ZINC000097940212 553763846 /nfs/dbraw/zinc/76/38/46/553763846.db2.gz FBSSWCSMFJTRFI-UHFFFAOYSA-N 0 0 582.911 6.897 50 30 KKEARN Cc1cccc(C)c1Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000097940234 553764134 /nfs/dbraw/zinc/76/41/34/553764134.db2.gz ZMEJRJHKYXLMDO-UHFFFAOYSA-N 0 0 636.281 8.081 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 ZINC000097940401 553764945 /nfs/dbraw/zinc/76/49/45/553764945.db2.gz WMEHBKZIMNVMJE-UHFFFAOYSA-N 0 0 541.467 5.496 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2C(F)(F)F)c1-c1ccc(F)c(F)c1 ZINC000097940493 553765656 /nfs/dbraw/zinc/76/56/56/553765656.db2.gz KUHUFGMYTJISLX-UHFFFAOYSA-N 0 0 570.480 8.513 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2C(F)(F)F)c1-c1ccc(F)cc1 ZINC000097940529 553765945 /nfs/dbraw/zinc/76/59/45/553765945.db2.gz HISKTLAIPHKANA-UHFFFAOYSA-N 0 0 552.490 8.374 50 30 KKEARN Cn1c2ccccc2s/c1=N\N=C1/SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097944565 553770185 /nfs/dbraw/zinc/77/01/85/553770185.db2.gz CEFSZIBYBDHHRC-HXHOTZNRSA-N 0 0 518.671 7.125 50 30 KKEARN COc1ccc(/C=N/N=C2\SC(=N\c3ccc(OC)cc3)/C(=N\c3ccc(OC)cc3)N2c2ccccc2)cc1 ZINC000097944562 553770203 /nfs/dbraw/zinc/77/02/03/553770203.db2.gz HFKJVTBKDVFKCJ-CUXZJSSYSA-N 0 0 549.656 7.116 50 30 KKEARN CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc(OCC)c1OCC ZINC000023153753 553770715 /nfs/dbraw/zinc/77/07/15/553770715.db2.gz MFHOQUNKRSPDRD-UHFFFAOYSA-N 0 0 505.640 5.626 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000097945474 553772444 /nfs/dbraw/zinc/77/24/44/553772444.db2.gz DXXCNCQXSWPXML-SONOPUAISA-N 0 0 529.036 7.755 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000097945709 553774151 /nfs/dbraw/zinc/77/41/51/553774151.db2.gz WQGIJKUYLBKJIX-GPNASLBKSA-N 0 0 535.043 7.563 50 30 KKEARN COc1ccc(/C=C2\CC/C(=C\c3ccc(/C=C4\CC/C(=C\c5ccc(OC)c(OC)c5)C4=O)cc3)C2=O)cc1OC ZINC000097945971 553775976 /nfs/dbraw/zinc/77/59/76/553775976.db2.gz PKBLMCNXULDJLW-YGJIJYADSA-N 0 0 562.662 7.381 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c1 ZINC000097946345 553778467 /nfs/dbraw/zinc/77/84/67/553778467.db2.gz FEAHSIAJTFIVNI-COEJQBHMSA-N 0 0 597.762 6.874 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1C ZINC000097946456 553779522 /nfs/dbraw/zinc/77/95/22/553779522.db2.gz BADOZZXBNHLGLW-COEJQBHMSA-N 0 0 597.762 6.874 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000023446371 553780306 /nfs/dbraw/zinc/78/03/06/553780306.db2.gz AIIVVNNWQAACBS-RIKCKFAHSA-N 0 0 523.485 7.372 50 30 KKEARN CC[C@H](C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1)c1ccccc1 ZINC000023450500 553781914 /nfs/dbraw/zinc/78/19/14/553781914.db2.gz FIJXCDLDFWFFOA-JHOUSYSJSA-N 0 0 536.720 5.754 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1C ZINC000097947158 553784109 /nfs/dbraw/zinc/78/41/09/553784109.db2.gz VPYDVODTZNADOG-SNCSUOKWSA-N 0 0 596.756 8.299 50 30 KKEARN CCCCCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000097947255 553785003 /nfs/dbraw/zinc/78/50/03/553785003.db2.gz MOIRJLZAMPBCSF-QJOMJCCJSA-N 0 0 555.169 6.830 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)cc1OC ZINC000097947371 553785872 /nfs/dbraw/zinc/78/58/72/553785872.db2.gz IKWLMYOAKVCKRR-MEFGMAGPSA-N 0 0 535.710 6.293 50 30 KKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c2ccccc2oc1C(=O)OCC ZINC000023983828 553787517 /nfs/dbraw/zinc/78/75/17/553787517.db2.gz NUPIMSBATSTIIN-UHFFFAOYSA-N 0 0 506.584 5.005 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947671 553788091 /nfs/dbraw/zinc/78/80/91/553788091.db2.gz OBKWBKOIFPPKHM-NTNOMAAHSA-N 0 0 630.726 5.051 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c2nc3ccccc3o2)cc1 ZINC000097947728 553788661 /nfs/dbraw/zinc/78/86/61/553788661.db2.gz CTRYMCIXZHDVBA-ANYBSYGZSA-N 0 0 582.096 9.061 50 30 KKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097947882 553789517 /nfs/dbraw/zinc/78/95/17/553789517.db2.gz BKNJWSFTJNGJHM-WJOKGBTCSA-N 0 0 545.079 7.481 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000097947985 553790302 /nfs/dbraw/zinc/79/03/02/553790302.db2.gz YHSYTAQIHWMBKE-OGVWKLGRSA-N 0 0 548.086 7.620 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000097948168 553791739 /nfs/dbraw/zinc/79/17/39/553791739.db2.gz MSXXPQZWGAEBAC-WOPWWUTRSA-N 0 0 555.162 9.118 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000025075827 553792871 /nfs/dbraw/zinc/79/28/71/553792871.db2.gz BKECNLSMRLESTE-AREMUKBSSA-N 0 0 524.488 8.386 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OC)nnc1-c1ccc(N(C)C)cc1 ZINC000097948293 553792870 /nfs/dbraw/zinc/79/28/70/553792870.db2.gz LVGKETCVNSKGEE-UHFFFAOYSA-N 0 0 561.733 6.060 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097948443 553793844 /nfs/dbraw/zinc/79/38/44/553793844.db2.gz OYMHXGBXMIFEKE-MUUNZHRXSA-N 0 0 570.671 6.785 50 30 KKEARN Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)n1 ZINC000097948512 553794389 /nfs/dbraw/zinc/79/43/89/553794389.db2.gz NIEURMALHKLVDG-UHFFFAOYSA-N 0 0 576.684 6.669 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3cc4ccccc4s3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025149722 553796096 /nfs/dbraw/zinc/79/60/96/553796096.db2.gz BFANZKIAJBRRBQ-HHHXNRCGSA-N 0 0 511.647 5.497 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000097948762 553796602 /nfs/dbraw/zinc/79/66/02/553796602.db2.gz ZOVDFKQUBIDLDH-MNAQKMTRSA-N 0 0 602.493 8.747 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097948835 553797073 /nfs/dbraw/zinc/79/70/73/553797073.db2.gz FRZVDVUBNUZSQZ-YNPPORQASA-N 0 0 605.819 9.331 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097949033 553798723 /nfs/dbraw/zinc/79/87/23/553798723.db2.gz KPNDUFPHUANICP-HTOJEEBVSA-N 0 0 633.188 8.937 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097949133 553799798 /nfs/dbraw/zinc/79/97/98/553799798.db2.gz OOUURFFQUIEZGB-KSXAPKRDSA-N 0 0 649.231 9.573 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2OC(F)(F)F)c1-c1ccc(C#N)cc1 ZINC000025159236 553801104 /nfs/dbraw/zinc/80/11/04/553801104.db2.gz SHNSMDKNGPADBI-UHFFFAOYSA-N 0 0 507.512 6.967 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C1(C)C ZINC000097949511 553802055 /nfs/dbraw/zinc/80/20/55/553802055.db2.gz CNQHBRUCTKRRSB-JOCHJYFZSA-N 0 0 533.456 6.089 50 30 KKEARN CCCCCCCCCn1c2ccccc2nc1CCCc1nc2ccccc2n1CCCCCCCCC ZINC000097949768 553803091 /nfs/dbraw/zinc/80/30/91/553803091.db2.gz SERQHVHIQMSAEP-UHFFFAOYSA-N 0 0 528.829 10.063 50 30 KKEARN CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C ZINC000097949781 553803167 /nfs/dbraw/zinc/80/31/67/553803167.db2.gz KGXHHAOSGTYFPY-QFIPXVFZSA-N 0 0 533.456 6.089 50 30 KKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCC)cc3)cc2)cc1 ZINC000097950571 553804773 /nfs/dbraw/zinc/80/47/73/553804773.db2.gz RETGEDGDZMUSEO-UHFFFAOYSA-N 0 0 574.758 9.604 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950766 553805525 /nfs/dbraw/zinc/80/55/25/553805525.db2.gz KKNHUPAPBMHUOV-QFIPXVFZSA-N 0 0 648.910 8.481 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950758 553805536 /nfs/dbraw/zinc/80/55/36/553805536.db2.gz LLYXHCQPFMRXEE-OAQYLSRUSA-N 0 0 575.790 8.217 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950804 553805728 /nfs/dbraw/zinc/80/57/28/553805728.db2.gz SHBUKBKBPUUYSG-NRFANRHFSA-N 0 0 518.784 8.919 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(N2C(F)(F)C(F)(F)N([C@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950859 553805744 /nfs/dbraw/zinc/80/57/44/553805744.db2.gz OKRIXSRLBMZBED-HDICACEKSA-N 0 0 728.384 6.726 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097950920 553805996 /nfs/dbraw/zinc/80/59/96/553805996.db2.gz UTTKBDNOVKGEIG-QHCPKHFHSA-N 0 0 553.040 7.885 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950924 553805998 /nfs/dbraw/zinc/80/59/98/553805998.db2.gz UYCUOCFDYHPTQP-QFIPXVFZSA-N 0 0 591.904 9.184 50 30 KKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@@H]2N=CC(C)(C)S2)CC1 ZINC000097950935 553806320 /nfs/dbraw/zinc/80/63/20/553806320.db2.gz PYBQZUBYGWDFJU-LJAQVGFWSA-N 0 0 516.759 6.572 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097951026 553806540 /nfs/dbraw/zinc/80/65/40/553806540.db2.gz BLFYBMNTMKYATR-UHFFFAOYSA-N 0 0 507.168 6.383 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)c1ccccc1 ZINC000025388675 553806732 /nfs/dbraw/zinc/80/67/32/553806732.db2.gz ULFIDTGYBFWQHA-UHFFFAOYSA-N 0 0 524.488 6.252 50 30 KKEARN O[C@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000097951247 553807779 /nfs/dbraw/zinc/80/77/79/553807779.db2.gz LJLKAUDBFMMGJE-LBPRGKRZSA-N 0 0 542.225 6.947 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951304 553808084 /nfs/dbraw/zinc/80/80/84/553808084.db2.gz VDRIMISVEOKQGD-HHHXNRCGSA-N 0 0 546.620 5.373 50 30 KKEARN COc1ccc([C@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951444 553809097 /nfs/dbraw/zinc/80/90/97/553809097.db2.gz CYHJYAVYJJWLPE-QFIPXVFZSA-N 0 0 528.439 5.414 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000097951506 553809366 /nfs/dbraw/zinc/80/93/66/553809366.db2.gz ACDLALUMAGIOOG-KCWXNJEJSA-N 0 0 548.605 7.456 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097951521 553809699 /nfs/dbraw/zinc/80/96/99/553809699.db2.gz OAMAZEKPOQBYRK-HHHXNRCGSA-N 0 0 546.620 5.229 50 30 KKEARN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000025559353 553810114 /nfs/dbraw/zinc/81/01/14/553810114.db2.gz FFZVREDMPKRDJL-CCVNUDIWSA-N 0 0 504.568 5.492 50 30 KKEARN O=C(NN1/C(=N/c2ccccc2)SC[C@]1(O)c1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000025560113 553810126 /nfs/dbraw/zinc/81/01/26/553810126.db2.gz ISJZZBUXMOFOIT-JSIHEXFSSA-N 0 0 502.821 5.329 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097951649 553810189 /nfs/dbraw/zinc/81/01/89/553810189.db2.gz CYWSSBJERITKFI-VWLOTQADSA-N 0 0 535.438 6.110 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000097951672 553810530 /nfs/dbraw/zinc/81/05/30/553810530.db2.gz JSRPCHIQBWURCP-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000097951651 553810637 /nfs/dbraw/zinc/81/06/37/553810637.db2.gz OCNIZBRYRBPXJP-SSEXGKCCSA-N 0 0 503.727 8.746 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097951725 553810917 /nfs/dbraw/zinc/81/09/17/553810917.db2.gz CJZDWFFOUQSMJL-QHCPKHFHSA-N 0 0 532.618 5.457 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000097951736 553810923 /nfs/dbraw/zinc/81/09/23/553810923.db2.gz JMDZDRHJKSSXHF-HKBQPEDESA-N 0 0 533.753 8.755 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097951749 553811145 /nfs/dbraw/zinc/81/11/45/553811145.db2.gz YXSQHYAHRLRRQV-SANMLTNESA-N 0 0 544.629 6.112 50 30 KKEARN CC(/C=C/C(=O)c1sc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)nc1C)=C/c1ccccc1 ZINC000025585531 553812259 /nfs/dbraw/zinc/81/22/59/553812259.db2.gz PMGYBUCHENEACQ-FENWIEIGSA-N 0 0 516.475 6.728 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000097952188 553813797 /nfs/dbraw/zinc/81/37/97/553813797.db2.gz DOFOFPYYIFFLSK-NDEPHWFRSA-N 0 0 547.051 5.138 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000097952237 553814134 /nfs/dbraw/zinc/81/41/34/553814134.db2.gz DYPNVKPZYHOJQY-PMERELPUSA-N 0 0 535.596 6.510 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000097952243 553814220 /nfs/dbraw/zinc/81/42/20/553814220.db2.gz ZSSKGIZWIMYICR-MHZLTWQESA-N 0 0 540.685 7.311 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952314 553814690 /nfs/dbraw/zinc/81/46/90/553814690.db2.gz RRLUUEASXKDGDH-SANMLTNESA-N 0 0 526.614 6.269 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000097952296 553814783 /nfs/dbraw/zinc/81/47/83/553814783.db2.gz XOMHHCNAOUPQFG-GDLZYMKVSA-N 0 0 548.595 5.534 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952336 553815153 /nfs/dbraw/zinc/81/51/53/553815153.db2.gz WXDTYRNVHSNGNU-VWLOTQADSA-N 0 0 531.033 6.860 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952335 553815186 /nfs/dbraw/zinc/81/51/86/553815186.db2.gz WXDTYRNVHSNGNU-RUZDIDTESA-N 0 0 531.033 6.860 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952331 553815205 /nfs/dbraw/zinc/81/52/05/553815205.db2.gz KQRLLZXMQANQAS-SANMLTNESA-N 0 0 526.614 6.269 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952398 553815297 /nfs/dbraw/zinc/81/52/97/553815297.db2.gz AFXVXVMHQBCYEG-QHCPKHFHSA-N 0 0 533.447 6.713 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097952360 553815407 /nfs/dbraw/zinc/81/54/07/553815407.db2.gz ICDZZAFNTPWYSS-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097952409 553815736 /nfs/dbraw/zinc/81/57/36/553815736.db2.gz CBHRXYPBWNSRNW-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097952468 553816109 /nfs/dbraw/zinc/81/61/09/553816109.db2.gz VNGCCSIGDYKATI-RUZDIDTESA-N 0 0 536.422 5.561 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097952503 553816289 /nfs/dbraw/zinc/81/62/89/553816289.db2.gz USEILUSSWJNWNG-LJAQVGFWSA-N 0 0 548.595 5.534 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952531 553816326 /nfs/dbraw/zinc/81/63/26/553816326.db2.gz AIRJCWRZFWWNIB-DEOSSOPVSA-N 0 0 535.021 6.312 50 30 KKEARN C=CCc1cccc(CNc2nc3ccccc3n2CCCCCCCCCCCCCCCC)c1O ZINC000097952609 553817138 /nfs/dbraw/zinc/81/71/38/553817138.db2.gz WPOVDRAKRJHIIH-UHFFFAOYSA-N 0 0 503.775 9.564 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097953127 553819511 /nfs/dbraw/zinc/81/95/11/553819511.db2.gz BSXFLBHOORMXDZ-HHHXNRCGSA-N 0 0 533.577 5.407 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000097953851 553819803 /nfs/dbraw/zinc/81/98/03/553819803.db2.gz UWUXBMYHRKTAGM-UHFFFAOYSA-N 0 0 616.678 8.516 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000097953912 553820080 /nfs/dbraw/zinc/82/00/80/553820080.db2.gz IGYLMQIQMKISSL-UHFFFAOYSA-N 0 0 503.666 7.157 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000097953951 553820471 /nfs/dbraw/zinc/82/04/71/553820471.db2.gz RLAIGGCNJUCMTO-MHZLTWQESA-N 0 0 539.625 5.040 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953970 553820474 /nfs/dbraw/zinc/82/04/74/553820474.db2.gz IMIRPVRYKFBPFC-VWLOTQADSA-N 0 0 544.585 5.258 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097954063 553820854 /nfs/dbraw/zinc/82/08/54/553820854.db2.gz ZCZRDCYTIIOVLA-DFXYEROKSA-N 0 0 541.644 6.222 50 30 KKEARN CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026828734 553821641 /nfs/dbraw/zinc/82/16/41/553821641.db2.gz NLOAQXKIIGTTRE-JSWHPQHOSA-N 0 0 514.747 6.411 50 30 biogenic,in-vitro KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097954167 553821877 /nfs/dbraw/zinc/82/18/77/553821877.db2.gz CMQBZDACFWOFTQ-IIMAJNMQSA-N 0 0 541.644 6.366 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027017968 553823457 /nfs/dbraw/zinc/82/34/57/553823457.db2.gz KFAQTIQKUVYAOB-HHHXNRCGSA-N 0 0 500.599 5.321 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954504 553823496 /nfs/dbraw/zinc/82/34/96/553823496.db2.gz CCOYEDSVCDXTJJ-UGDMGKLASA-N 0 0 531.608 6.368 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097954695 553824675 /nfs/dbraw/zinc/82/46/75/553824675.db2.gz KSJAQEPOECWBPX-SSEXGKCCSA-N 0 0 548.724 8.654 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954736 553824959 /nfs/dbraw/zinc/82/49/59/553824959.db2.gz RFSYKWUMXWSXAX-CHJDUVSTSA-N 0 0 549.627 5.454 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954744 553825378 /nfs/dbraw/zinc/82/53/78/553825378.db2.gz NPCUNQIFFLPHCZ-JPZYQRIQSA-N 0 0 531.608 6.368 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955030 553827428 /nfs/dbraw/zinc/82/74/28/553827428.db2.gz BFIQYJCVKFNWGX-HZAQMHFWSA-N 0 0 616.711 7.509 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955032 553827435 /nfs/dbraw/zinc/82/74/35/553827435.db2.gz NEPSPYLXSDQMNY-DLUDVSRJSA-N 0 0 546.576 5.559 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955033 553827542 /nfs/dbraw/zinc/82/75/42/553827542.db2.gz NEPSPYLXSDQMNY-HWRSSNJWSA-N 0 0 546.576 5.559 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955016 553827548 /nfs/dbraw/zinc/82/75/48/553827548.db2.gz PALGSGOSKGPQAV-BSEYFRJRSA-N 0 0 533.005 6.065 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955041 553827923 /nfs/dbraw/zinc/82/79/23/553827923.db2.gz VCPAFSTVRCEUTE-ODCWNRFASA-N 0 0 528.586 5.425 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000097955050 553827989 /nfs/dbraw/zinc/82/79/89/553827989.db2.gz MEOFQBLSASCEKX-VKGTZQKMSA-N 0 0 538.669 7.143 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955090 553828315 /nfs/dbraw/zinc/82/83/15/553828315.db2.gz DPIXBAYOUNYRCW-QUGAMOGWSA-N 0 0 526.614 6.028 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955087 553828411 /nfs/dbraw/zinc/82/84/11/553828411.db2.gz IOMDXLIZGUSVTP-CRYYWNKWSA-N 0 0 540.641 6.535 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2cc(Cl)cc(Cl)c2)S1 ZINC000027522451 553828987 /nfs/dbraw/zinc/82/89/87/553828987.db2.gz GMIUXHNSZUEFRV-VXDNOLEKSA-N 0 0 516.425 6.336 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955151 553829005 /nfs/dbraw/zinc/82/90/05/553829005.db2.gz OQDXHXHTRSTLSH-IIMAJNMQSA-N 0 0 532.596 5.763 50 30 KKEARN O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522438 553829045 /nfs/dbraw/zinc/82/90/45/553829045.db2.gz XTDVTKGVVYGPRP-SQVRLAAPSA-N 0 0 512.462 5.874 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000027522432 553829048 /nfs/dbraw/zinc/82/90/48/553829048.db2.gz HCSXXNFXBZNBFH-PGWWVJEZSA-N 0 0 522.070 5.272 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522529 553829341 /nfs/dbraw/zinc/82/93/41/553829341.db2.gz TUYKTGHSIKRGAB-PCKLGSBKSA-N 0 0 512.006 6.038 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000027522630 553829351 /nfs/dbraw/zinc/82/93/51/553829351.db2.gz LRCBKDVNAVFOIL-FZWCJVCJSA-N 0 0 519.598 5.240 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097955186 553829508 /nfs/dbraw/zinc/82/95/08/553829508.db2.gz PIOZQPXFOJQUMO-NDEPHWFRSA-N 0 0 596.705 6.861 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955238 553830332 /nfs/dbraw/zinc/83/03/32/553830332.db2.gz MXWUXHVHVOHHSL-IVCQMTBJSA-N 0 0 531.033 6.673 50 30 KKEARN COc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1OCc1ccccc1Cl ZINC000027527786 553830924 /nfs/dbraw/zinc/83/09/24/553830924.db2.gz ZTKNOMLNUHBJDG-UHFFFAOYSA-N 0 0 521.053 7.328 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097955576 553831473 /nfs/dbraw/zinc/83/14/73/553831473.db2.gz SBDGKARZIVDEJT-YKGWIAGDSA-N 0 0 549.627 5.454 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529811 553831493 /nfs/dbraw/zinc/83/14/93/553831493.db2.gz RZABXKTUVMYLIN-NPMXOYFQSA-N 0 0 505.596 5.132 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955597 553831555 /nfs/dbraw/zinc/83/15/55/553831555.db2.gz YHQCXNUCMDSAAQ-OYLFLEFRSA-N 0 0 527.558 5.619 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955663 553832409 /nfs/dbraw/zinc/83/24/09/553832409.db2.gz MNDYHPRRHDTCDQ-LMKMVOKYSA-N 0 0 540.597 5.498 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955702 553833187 /nfs/dbraw/zinc/83/31/87/553833187.db2.gz UYOVYQNSPYFGNZ-PUAOIOHZSA-N 0 0 531.033 6.673 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000027547988 553833244 /nfs/dbraw/zinc/83/32/44/553833244.db2.gz HKEGNEQQDFIFLJ-IBVKSMDESA-N 0 0 503.524 6.101 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000097955750 553833525 /nfs/dbraw/zinc/83/35/25/553833525.db2.gz HGYHCUIKPNFRTD-SSEXGKCCSA-N 0 0 533.628 5.814 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955782 553833899 /nfs/dbraw/zinc/83/38/99/553833899.db2.gz ZJDIFWPCSAKQJT-SOKVYYICSA-N 0 0 556.640 6.124 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955803 553833945 /nfs/dbraw/zinc/83/39/45/553833945.db2.gz KFPMLYTVLDONCL-RBSBEOHCSA-N 0 0 602.684 7.119 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000097955856 553834597 /nfs/dbraw/zinc/83/45/97/553834597.db2.gz CBIAAUPCZYTOJI-MHZLTWQESA-N 0 0 539.657 6.640 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000027662403 553835769 /nfs/dbraw/zinc/83/57/69/553835769.db2.gz RMNANBDCSGSRRI-QHCPKHFHSA-N 0 0 522.395 5.559 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956209 553836574 /nfs/dbraw/zinc/83/65/74/553836574.db2.gz XRHXACZBACVSFO-HFJWLAOPSA-N 0 0 524.598 5.828 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000027994402 553837096 /nfs/dbraw/zinc/83/70/96/553837096.db2.gz AWYCGUNODXQKAG-AHKZPQOWSA-N 0 0 517.025 5.300 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000097956790 553841896 /nfs/dbraw/zinc/84/18/96/553841896.db2.gz CKUMKEFVYPGAHL-PIKZIKFNSA-N 0 0 543.758 7.126 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956802 553841923 /nfs/dbraw/zinc/84/19/23/553841923.db2.gz IJTJQAQMUAZECX-QFIPXVFZSA-N 0 0 534.634 5.636 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956863 553842728 /nfs/dbraw/zinc/84/27/28/553842728.db2.gz PLXPISICNHCOHE-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097957665 553847458 /nfs/dbraw/zinc/84/74/58/553847458.db2.gz CENIVRJBHBGMJO-GWXNNEATSA-N 0 0 646.769 5.615 50 30 KKEARN CCCCCCc1ccc(OCCOc2ccc(Cl)cc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1 ZINC000097957738 553847677 /nfs/dbraw/zinc/84/76/77/553847677.db2.gz YZYTXUKHRHSMLW-KVQDIILNSA-N 0 0 591.200 7.357 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(CC)ccc4o3)c2)c1O ZINC000097957789 553848355 /nfs/dbraw/zinc/84/83/55/553848355.db2.gz RBVYLZLTVJBYFN-UVHMKAGCSA-N 0 0 544.243 7.437 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCCOc4ccc(Br)cc4)c(OCC)c3)C2=N)S1 ZINC000097957835 553848806 /nfs/dbraw/zinc/84/88/06/553848806.db2.gz OLMBJCLDBYSHNK-GUQMKOKESA-N 0 0 613.578 7.285 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc(I)c1OCC(N)=O ZINC000097957909 553849527 /nfs/dbraw/zinc/84/95/27/553849527.db2.gz VSXJNWXXMJGIPA-SHTXSOMYSA-N 0 0 627.504 5.401 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000029748154 553849557 /nfs/dbraw/zinc/84/95/57/553849557.db2.gz UGUYIWADEBRANA-QEEIZYTISA-N 0 0 546.458 5.734 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC ZINC000029749031 553850820 /nfs/dbraw/zinc/85/08/20/553850820.db2.gz NNTNZMHYXHBDQA-DEOSSOPVSA-N 0 0 545.518 5.863 50 30 KKEARN BrC(=CN=Nc1nc(Nc2cccc3ccccc32)nc(N2CCOCC2)n1)Cc1ccccc1 ZINC000030072262 553855081 /nfs/dbraw/zinc/85/50/81/553855081.db2.gz XHHDFSXATHNARO-POULNTNUSA-N 0 0 530.430 5.439 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N\N=C(/C)c3ccc(Br)cc3)S2)cc1 ZINC000097958645 553856434 /nfs/dbraw/zinc/85/64/34/553856434.db2.gz LMRLUQGFLAATCY-QHFGQAMDSA-N 0 0 545.503 5.749 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000097958716 553857101 /nfs/dbraw/zinc/85/71/01/553857101.db2.gz LSZYMZROZHRAGU-YVBHXKDBSA-N 0 0 660.615 5.733 50 30 KKEARN Clc1ccc(SCCOc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000097958897 553858757 /nfs/dbraw/zinc/85/87/57/553858757.db2.gz YWAPWMMPZWFDTG-MWAVMZGNSA-N 0 0 552.148 6.123 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097959017 553859757 /nfs/dbraw/zinc/85/97/57/553859757.db2.gz BPGKEDIFKNVAQZ-AZTNMLBSSA-N 0 0 566.079 5.728 50 30 KKEARN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000097959208 553861748 /nfs/dbraw/zinc/86/17/48/553861748.db2.gz YRYBRNOOGXAPLK-BIWBSIMWSA-N 0 0 606.542 5.019 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(OCCC)cc2OCCC)cc1 ZINC000097959395 553863244 /nfs/dbraw/zinc/86/32/44/553863244.db2.gz XMAXROCGQDSIAR-MUUNZHRXSA-N 0 0 594.506 6.503 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc(Br)cc1 ZINC000032115780 553864686 /nfs/dbraw/zinc/86/46/86/553864686.db2.gz ROYTZRDIXAOYEW-MUXKCCDJSA-N 0 0 509.404 5.594 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097959629 553864786 /nfs/dbraw/zinc/86/47/86/553864786.db2.gz ADWPWZXGPNHJOX-IOYDYCAWSA-N 0 0 542.032 5.699 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959652 553865146 /nfs/dbraw/zinc/86/51/46/553865146.db2.gz TVKXJMKIXYSCPZ-PGWWVJEZSA-N 0 0 538.069 5.950 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000097959655 553865161 /nfs/dbraw/zinc/86/51/61/553865161.db2.gz GUSZILCBOLOTGQ-MOWOTRKXSA-N 0 0 563.676 5.314 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097959814 553866095 /nfs/dbraw/zinc/86/60/95/553866095.db2.gz AKIJVHRVZOLBHG-HSZRJFAPSA-N 0 0 568.562 7.023 50 30 KKEARN CCOc1c(I)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1OC ZINC000097959822 553866340 /nfs/dbraw/zinc/86/63/40/553866340.db2.gz ADDMBNIWICMVQP-SXVBQMOPSA-N 0 0 560.413 6.096 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959851 553866407 /nfs/dbraw/zinc/86/64/07/553866407.db2.gz ANIVRKKSNYWGCI-UDNBHOFDSA-N 0 0 657.664 7.534 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2ccc(COc3cccc(C(F)(F)F)c3)o2)c1 ZINC000097959858 553866843 /nfs/dbraw/zinc/86/68/43/553866843.db2.gz IJBVAVWFAAZFOS-WYOOIXGGSA-N 0 0 613.636 7.581 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097960019 553867616 /nfs/dbraw/zinc/86/76/16/553867616.db2.gz PBWAOCFLQXGNPZ-JLKRBFOBSA-N 0 0 660.924 10.561 50 30 KKEARN CN(C)c1ccc(-n2cccc2/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000097960108 553868297 /nfs/dbraw/zinc/86/82/97/553868297.db2.gz GTWMKAOFRWTWTP-LZWJFYTLSA-N 0 0 531.685 6.871 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000097960124 553868340 /nfs/dbraw/zinc/86/83/40/553868340.db2.gz MMQGBYSCGFSEQG-ZEBKITEQSA-N 0 0 632.462 8.728 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(OC)c(O)c(Br)c2Br)S/C1=N\c1ccccc1 ZINC000097960148 553868621 /nfs/dbraw/zinc/86/86/21/553868621.db2.gz DAURPCBZQSQTMW-KRDAOVIXSA-N 0 0 542.249 5.176 50 30 KKEARN Cc1ccc(C(=O)Nc2s/c(=N\N=C/c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000032623429 553870192 /nfs/dbraw/zinc/87/01/92/553870192.db2.gz HKGOWMNURAEPNO-CQRFPMJESA-N 0 0 502.643 7.010 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OCC ZINC000097960418 553871314 /nfs/dbraw/zinc/87/13/14/553871314.db2.gz ZTLNLKBXOIGEAF-GZTJUZNOSA-N 0 0 575.255 6.453 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000097960444 553871613 /nfs/dbraw/zinc/87/16/13/553871613.db2.gz FYTHETZWJXYVMS-MFKUBSTISA-N 0 0 535.452 7.626 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000097962031 553882507 /nfs/dbraw/zinc/88/25/07/553882507.db2.gz JMWZOHDPLXDKMT-XNKWDQAOSA-N 0 0 541.611 6.821 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000097962028 553882520 /nfs/dbraw/zinc/88/25/20/553882520.db2.gz DVAILZWRCMTMQP-FRJOBGHKSA-N 0 0 573.609 6.140 50 30 KKEARN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)S2)cc1 ZINC000097962630 553884592 /nfs/dbraw/zinc/88/45/92/553884592.db2.gz HFAHEQJLHGSZHJ-OYKKKHCWSA-N 0 0 534.435 6.381 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000097962583 553884630 /nfs/dbraw/zinc/88/46/30/553884630.db2.gz VURRETVICZTKJI-HRIDGTDGSA-N 0 0 615.549 5.663 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(/C=C/N(C(C)=O)c1ccccc1)n2CC ZINC000097962836 553885636 /nfs/dbraw/zinc/88/56/36/553885636.db2.gz KINMTOZRKRVHAB-UHFFFAOYSA-O 0 0 612.813 6.548 50 30 KKEARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 ZINC000097963466 553890491 /nfs/dbraw/zinc/89/04/91/553890491.db2.gz NOPRJLVVGVDYGS-UHFFFAOYSA-N 0 0 564.777 5.733 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000097963997 553895676 /nfs/dbraw/zinc/89/56/76/553895676.db2.gz BWOUDFPZZWDNEG-ZTCTXGLISA-N 0 0 604.408 8.436 50 30 KKEARN COc1ccc(OC)c(NC(=O)c2c(/N=C/c3cccc(OC)c3OC)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000097964044 553895899 /nfs/dbraw/zinc/89/58/99/553895899.db2.gz QJYITJVSJLBKQX-LVGRRZFUSA-N 0 0 536.694 6.936 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@H](C(C)(C)C)C2 ZINC000097964036 553895902 /nfs/dbraw/zinc/89/59/02/553895902.db2.gz YISRZNUOSMSBDC-ZEHKQSLBSA-N 0 0 585.564 7.690 50 30 KKEARN CC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000097964041 553895906 /nfs/dbraw/zinc/89/59/06/553895906.db2.gz SFDLZZJUVQENJR-RDQMPWACSA-N 0 0 542.623 7.846 50 30 KKEARN CCOC(=O)c1ccc(COc2ccc(Br)cc2CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000097964131 553896519 /nfs/dbraw/zinc/89/65/19/553896519.db2.gz NKQFJWPXOIMVLV-AOJZPQQRSA-N 0 0 593.293 7.226 50 30 KKEARN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097964138 553896611 /nfs/dbraw/zinc/89/66/11/553896611.db2.gz AWHJRWVFTKGFFK-LPYMAVHISA-N 0 0 590.508 6.284 50 30 KKEARN C=CCc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c2ccccc21 ZINC000097964922 553901955 /nfs/dbraw/zinc/90/19/55/553901955.db2.gz RISKVSUEVXPHFQ-ZDXYNCBASA-N 0 0 575.694 6.455 50 30 KKEARN Cc1cc(C)nc(N=C(Nc2cc(Cl)ccc2C(=O)c2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000097965335 553904186 /nfs/dbraw/zinc/90/41/86/553904186.db2.gz GFIXSZGIRYORES-UHFFFAOYSA-N 0 0 554.459 5.709 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4)o3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000097965569 553905496 /nfs/dbraw/zinc/90/54/96/553905496.db2.gz XBPNYTJMGSWJGI-QHDYCIAZSA-N 0 0 594.119 7.442 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2F)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000097965695 553905770 /nfs/dbraw/zinc/90/57/70/553905770.db2.gz PSIVGBAJHCVESB-QFDQHJFZSA-N 0 0 551.566 6.180 50 30 KKEARN CC[C@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3OCc3ccccc3Cl)c2C(=O)NC2CC2)C1 ZINC000097965628 553905818 /nfs/dbraw/zinc/90/58/18/553905818.db2.gz NBOGFBNHZXKIEI-VLCQYKRPSA-N 0 0 571.968 7.901 50 30 KKEARN C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000097965680 553905885 /nfs/dbraw/zinc/90/58/85/553905885.db2.gz XALZSMZOCBQXPG-IURWMYGYSA-N 0 0 541.489 5.458 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(OCc3cccc4ccccc43)cc1)C1c3ccccc3C2c2ccccc21 ZINC000097966025 553906777 /nfs/dbraw/zinc/90/67/77/553906777.db2.gz TVZAPVFMHIGGDU-SGFYSZMASA-N 0 0 534.615 6.645 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3cccc4ccccc43)cc1)C1c3ccccc3C2c2ccccc21 ZINC000097966023 553906800 /nfs/dbraw/zinc/90/68/00/553906800.db2.gz TVZAPVFMHIGGDU-NZKFYLRYSA-N 0 0 534.615 6.645 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097966726 553909977 /nfs/dbraw/zinc/90/99/77/553909977.db2.gz ZNJSLYKNGLLUKI-HFBYFEGMSA-N 0 0 573.549 5.483 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097966808 553910404 /nfs/dbraw/zinc/91/04/04/553910404.db2.gz RSLWOEQFJHTOBG-PMERELPUSA-N 0 0 567.642 5.456 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097966903 553911530 /nfs/dbraw/zinc/91/15/30/553911530.db2.gz GJHOIVAKCYIXDO-HKBQPEDESA-N 0 0 548.639 7.140 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097966930 553911950 /nfs/dbraw/zinc/91/19/50/553911950.db2.gz PCVRJMHWZSIMSM-YTTGMZPUSA-N 0 0 584.713 6.123 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966988 553912750 /nfs/dbraw/zinc/91/27/50/553912750.db2.gz YPTWPZJQSOKWQL-YTTGMZPUSA-N 0 0 642.675 9.526 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097967061 553913477 /nfs/dbraw/zinc/91/34/77/553913477.db2.gz WEGYRGQEFZMWQR-WKRVVKTRSA-N 0 0 555.671 6.756 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967246 553915815 /nfs/dbraw/zinc/91/58/15/553915815.db2.gz KJUYEXJOIBAZRY-MQNRADLISA-N 0 0 565.478 7.326 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967284 553916167 /nfs/dbraw/zinc/91/61/67/553916167.db2.gz VTOLIRNNZYXPDB-LDLUVENISA-N 0 0 598.677 6.375 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(C(C)C)cc2)n(-c2ccccc2)c1=O ZINC000097967281 553916293 /nfs/dbraw/zinc/91/62/93/553916293.db2.gz IHFHESGUSUGIHV-FYIQHRETSA-N 0 0 588.527 5.975 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967392 553918075 /nfs/dbraw/zinc/91/80/75/553918075.db2.gz KHWWPQWROSHUGV-MRDQGFSESA-N 0 0 560.672 6.185 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967452 553918351 /nfs/dbraw/zinc/91/83/51/553918351.db2.gz AUVUHUUSWSYYMU-PRAQEBQASA-N 0 0 598.721 7.226 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967461 553918828 /nfs/dbraw/zinc/91/88/28/553918828.db2.gz QDZGQFHWGBFRCO-MUUNZHRXSA-N 0 0 586.666 6.428 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967482 553918831 /nfs/dbraw/zinc/91/88/31/553918831.db2.gz JPOXTEIXQAKOMZ-JRPXNJEYSA-N 0 0 556.659 6.151 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967480 553918842 /nfs/dbraw/zinc/91/88/42/553918842.db2.gz DRKGSZLCPZJMID-OYLFLEFRSA-N 0 0 561.457 6.474 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000097967464 553918866 /nfs/dbraw/zinc/91/88/66/553918866.db2.gz DFOVUANHJZWTTG-PMERELPUSA-N 0 0 582.623 9.509 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000097967465 553918898 /nfs/dbraw/zinc/91/88/98/553918898.db2.gz GATNWTPCTWPBER-VPUKRXIYSA-N 0 0 553.298 8.457 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000097967486 553919409 /nfs/dbraw/zinc/91/94/09/553919409.db2.gz KXYWRFHWXYMQTM-GDLZYMKVSA-N 0 0 553.615 5.153 50 30 KKEARN CCC/C(Cl)=N\OC(NC(=O)Nc1cccc([C@@](O)(C(=O)OCC)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000097967537 553919627 /nfs/dbraw/zinc/91/96/27/553919627.db2.gz OZTZJWZIDPVMFN-WOFULVIFSA-N 0 0 575.812 5.311 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967532 553919861 /nfs/dbraw/zinc/91/98/61/553919861.db2.gz FHOPAFLEIUHOSK-PRAQEBQASA-N 0 0 574.658 7.503 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097967578 553920143 /nfs/dbraw/zinc/92/01/43/553920143.db2.gz PKDAGQMUMMJKAX-UVHMKAGCSA-N 0 0 548.473 6.648 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967564 553920168 /nfs/dbraw/zinc/92/01/68/553920168.db2.gz GYKHENBMFVNPET-BGOLNKOXSA-N 0 0 612.748 7.679 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967553 553920234 /nfs/dbraw/zinc/92/02/34/553920234.db2.gz NTRUNIQHBOBSGA-PVPMGCCUSA-N 0 0 558.612 5.516 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967659 553921455 /nfs/dbraw/zinc/92/14/55/553921455.db2.gz MWYWYBKUWVRLEL-PMERELPUSA-N 0 0 583.169 9.308 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccccc2Cl)cc1 ZINC000097967825 553923457 /nfs/dbraw/zinc/92/34/57/553923457.db2.gz QIHQCPTZBWCLEG-NPJNASAPSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCN(CCCC)c1nc(N=NC(C)c2ccc(Br)cc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000033353258 553924230 /nfs/dbraw/zinc/92/42/30/553924230.db2.gz PZCXZZWTMCFHBT-FDAWAROLSA-N 0 0 555.481 6.529 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967876 553924633 /nfs/dbraw/zinc/92/46/33/553924633.db2.gz PJVNFSLGBYOTMJ-LDLUVENISA-N 0 0 578.621 7.334 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000033353437 553925063 /nfs/dbraw/zinc/92/50/63/553925063.db2.gz UROPEGASBUUIRH-MNNSJKJDSA-N 0 0 588.498 6.311 50 30 KKEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(Oc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1 ZINC000033353702 553926533 /nfs/dbraw/zinc/92/65/33/553926533.db2.gz YPYMRNIENNJLKO-UHFFFAOYSA-N 0 0 615.057 5.691 50 30 KKEARN CCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCC)cc3)cc2)cc1 ZINC000033353763 553926735 /nfs/dbraw/zinc/92/67/35/553926735.db2.gz PMZHBROHUQOAFS-UHFFFAOYSA-N 0 0 514.706 9.275 50 30 biogenic KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccco2)cc1OC ZINC000097968058 553927074 /nfs/dbraw/zinc/92/70/74/553927074.db2.gz SAETTWUXJQIOON-FTLBEKPUSA-N 0 0 563.574 5.065 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(I)cc1 ZINC000033353942 553927479 /nfs/dbraw/zinc/92/74/79/553927479.db2.gz CEOGWBKDBUZTEN-PMERELPUSA-N 0 0 664.068 10.004 50 30 KKEARN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cc(C(=O)c2ccc(Br)cc2)ccc1C ZINC000033353905 553927586 /nfs/dbraw/zinc/92/75/86/553927586.db2.gz VQKQSPZVFHFYBS-UHFFFAOYSA-N 0 0 606.711 9.528 50 30 KKEARN Cc1c(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)cc([N+](=O)[O-])cc1NC(=O)C(F)(F)C(F)(F)OC(F)(F)F ZINC000033353976 553927859 /nfs/dbraw/zinc/92/78/59/553927859.db2.gz YCFYWRFJMPJSMW-UHFFFAOYSA-N 0 0 591.208 5.309 50 30 KKEARN O=C([C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(Cl)cc2)S1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033354085 553928441 /nfs/dbraw/zinc/92/84/41/553928441.db2.gz LJLRZDJALUWJLK-OJEZVBBGSA-N 0 0 564.067 5.119 50 30 KKEARN C[C@@H]1C[C@H](C)CN(c2c(F)c(F)c([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c(F)c2F)C1 ZINC000033354312 553929231 /nfs/dbraw/zinc/92/92/31/553929231.db2.gz WOBOHAUGVJYBLL-OTLZBWLZSA-N 0 0 536.613 8.188 50 30 KKEARN CC(C)(C)[C@H](NC1=NC(=S)N(c2cccc(C(F)(F)F)c2)C1(C)C)[C@@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000033354429 553929778 /nfs/dbraw/zinc/92/97/78/553929778.db2.gz PCXHXMOAMZEWBN-NHCUHLMSSA-N 0 0 565.065 6.514 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968286 553929860 /nfs/dbraw/zinc/92/98/60/553929860.db2.gz AKNMBDAHQFZXLP-YWXNFOLHSA-N 0 0 548.006 6.108 50 30 KKEARN O=C(Nc1cccc2c(NC(=O)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF)cccc12)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354519 553930091 /nfs/dbraw/zinc/93/00/91/553930091.db2.gz SLOUQSLMEIQXRE-OKILXGFUSA-N 0 0 674.332 8.279 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968270 553930143 /nfs/dbraw/zinc/93/01/43/553930143.db2.gz ZXIHEYVDYYIKBU-MHZLTWQESA-N 0 0 572.639 6.038 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000033354703 553930855 /nfs/dbraw/zinc/93/08/55/553930855.db2.gz CJVQAHSAWKYOOD-JIYROHSKSA-N 0 0 553.033 7.702 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033354682 553930911 /nfs/dbraw/zinc/93/09/11/553930911.db2.gz QHALWPNBLRJJLP-IJAHGLKVSA-N 0 0 632.713 7.022 50 30 KKEARN CCCCCCCCCCOP(=O)(Nc1c(Cl)c(Cl)nc(Cl)c1Cl)OCCCCCCCCCC ZINC000033354870 553931925 /nfs/dbraw/zinc/93/19/25/553931925.db2.gz YSLFLFXMYUPKHE-UHFFFAOYSA-N 0 0 592.416 11.530 50 30 KKEARN Cc1ccc(-n2c(=O)c3c(nc2N/N=C/c2ccc(Br)cc2)-c2ccccc2CC32CCCCC2)cc1 ZINC000097968502 553932806 /nfs/dbraw/zinc/93/28/06/553932806.db2.gz FJNFZXASDFLVQM-FMFFXOCNSA-N 0 0 553.504 7.174 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097968585 553933459 /nfs/dbraw/zinc/93/34/59/553933459.db2.gz OREMBCPIUBJXBI-MEXAFARESA-N 0 0 566.079 6.076 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)Nc4cccc(Cl)c4)n(-c4ccccc4)c3=O)o2)cc1 ZINC000097968734 553933988 /nfs/dbraw/zinc/93/39/88/553933988.db2.gz RVCJZSYRUVOLRW-JXYNQZCOSA-N 0 0 596.064 5.780 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)Nc4ccccc4OC)n(-c4ccccc4)c3=O)o2)cc1 ZINC000097968735 553934002 /nfs/dbraw/zinc/93/40/02/553934002.db2.gz PQWLNMGBXQALLK-NSSBDBBWSA-N 0 0 591.645 5.136 50 30 KKEARN CC1C/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000097968635 553934031 /nfs/dbraw/zinc/93/40/31/553934031.db2.gz AVGATZQCFDYBSF-CJQREAPYSA-N 0 0 558.288 10.286 50 30 KKEARN CCOc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)c1=O ZINC000097968749 553934308 /nfs/dbraw/zinc/93/43/08/553934308.db2.gz XTQHYRNYYIQZSM-MJHDJXAISA-N 0 0 530.049 5.359 50 30 KKEARN N#CC(C(=O)Nc1ccccc1Cl)=c1sc(=Cc2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000097968752 553934355 /nfs/dbraw/zinc/93/43/55/553934355.db2.gz ACVZZESHJCDOOD-WAFZPUJNSA-N 0 0 536.838 5.106 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCS(=O)(=O)c3nc4ccccc4s3)n2)cc1 ZINC000033355416 553934729 /nfs/dbraw/zinc/93/47/29/553934729.db2.gz GZHKJMLSUFQDOG-UHFFFAOYSA-N 0 0 543.695 6.472 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000097968935 553935170 /nfs/dbraw/zinc/93/51/70/553935170.db2.gz MDPNXSALBQJQKU-LPFJTETCSA-N 0 0 578.300 9.198 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000033355560 553935553 /nfs/dbraw/zinc/93/55/53/553935553.db2.gz FSASQJHKKURXKC-INAHCOLMSA-N 0 0 615.630 5.712 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000033355656 553936053 /nfs/dbraw/zinc/93/60/53/553936053.db2.gz XFRSXAFAHXIXAV-AFJIDDCJSA-N 0 0 529.036 7.755 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000033355655 553936104 /nfs/dbraw/zinc/93/61/04/553936104.db2.gz XFRSXAFAHXIXAV-WRONEBCDSA-N 0 0 529.036 7.755 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097969113 553936553 /nfs/dbraw/zinc/93/65/53/553936553.db2.gz STNWURUBNKAIDM-PMERELPUSA-N 0 0 550.611 5.852 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097969119 553936639 /nfs/dbraw/zinc/93/66/39/553936639.db2.gz NNTGAVYNNWRASO-HKBQPEDESA-N 0 0 570.686 5.273 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969125 553936892 /nfs/dbraw/zinc/93/68/92/553936892.db2.gz BHNNELALQGQAAI-DXPJPUQTSA-N 0 0 559.087 7.354 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969129 553936962 /nfs/dbraw/zinc/93/69/62/553936962.db2.gz NRPXHEPRIBZVTO-SOKVYYICSA-N 0 0 556.640 6.200 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969186 553937926 /nfs/dbraw/zinc/93/79/26/553937926.db2.gz SOYJOHFNSKEMJZ-XGCWNURASA-N 0 0 556.640 6.200 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969217 553938351 /nfs/dbraw/zinc/93/83/51/553938351.db2.gz PCPYJZJBKHZVQZ-MNAQKMTRSA-N 0 0 618.711 7.380 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097969214 553938367 /nfs/dbraw/zinc/93/83/67/553938367.db2.gz GBEGMMCZPIBUON-SSEXGKCCSA-N 0 0 550.611 5.852 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969379 553940300 /nfs/dbraw/zinc/94/03/00/553940300.db2.gz GPTABEQZTVNQGT-FYSMJZIKSA-N 0 0 562.644 5.523 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000097969426 553940857 /nfs/dbraw/zinc/94/08/57/553940857.db2.gz MKZLTFDGSXLVAK-DWIWSFKISA-N 0 0 608.661 9.908 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097969455 553941227 /nfs/dbraw/zinc/94/12/27/553941227.db2.gz LCAIELLCNRGPCV-YTTGMZPUSA-N 0 0 600.712 5.282 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000097969499 553941454 /nfs/dbraw/zinc/94/14/54/553941454.db2.gz GECWUNJCDDKVLX-YTTGMZPUSA-N 0 0 584.713 6.267 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000097969502 553941472 /nfs/dbraw/zinc/94/14/72/553941472.db2.gz CEQQSJHFERKWOX-GDLZYMKVSA-N 0 0 561.078 5.528 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097969550 553942308 /nfs/dbraw/zinc/94/23/08/553942308.db2.gz OJPIDZCBZYACLQ-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097969574 553942699 /nfs/dbraw/zinc/94/26/99/553942699.db2.gz KIZXGUVWZCHUBG-LJAQVGFWSA-N 0 0 558.631 5.599 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097969592 553942705 /nfs/dbraw/zinc/94/27/05/553942705.db2.gz BKPXUYWKGIQNJW-WJOKGBTCSA-N 0 0 578.621 5.609 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969622 553942948 /nfs/dbraw/zinc/94/29/48/553942948.db2.gz FWCXPYNGIJJICV-JMQGSBJISA-N 0 0 604.725 6.728 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969625 553943029 /nfs/dbraw/zinc/94/30/29/553943029.db2.gz JXZXLTNFENXDMS-LBEKAKSKSA-N 0 0 595.076 7.848 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969750 553944677 /nfs/dbraw/zinc/94/46/77/553944677.db2.gz HWRMOMJNZOYLFC-XHCCPWGMSA-N 0 0 583.735 7.060 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969834 553945410 /nfs/dbraw/zinc/94/54/10/553945410.db2.gz CKWHABROIRLQIV-MRDQGFSESA-N 0 0 604.681 5.698 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969819 553945652 /nfs/dbraw/zinc/94/56/52/553945652.db2.gz CTEFDNGIPHSPPD-RBSBEOHCSA-N 0 0 600.693 6.599 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000097969918 553946811 /nfs/dbraw/zinc/94/68/11/553946811.db2.gz DECNLRJXCRJBOW-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969933 553947288 /nfs/dbraw/zinc/94/72/88/553947288.db2.gz ZAXUHVPMBSINAN-QLXKLKPCSA-N 0 0 554.624 5.806 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097969991 553947689 /nfs/dbraw/zinc/94/76/89/553947689.db2.gz ULTWMGQZVXQPPZ-WJOKGBTCSA-N 0 0 578.621 5.609 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969964 553947737 /nfs/dbraw/zinc/94/77/37/553947737.db2.gz FSQXQJYFDVAELA-JGCGQSQUSA-N 0 0 634.710 7.055 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970001 553948128 /nfs/dbraw/zinc/94/81/28/553948128.db2.gz PBSJQHLTLPOXDS-APYJYERMSA-N 0 0 602.712 7.598 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970003 553948144 /nfs/dbraw/zinc/94/81/44/553948144.db2.gz KQJRBKGRWIEQPM-UPCLLVRISA-N 0 0 560.628 5.299 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969994 553948162 /nfs/dbraw/zinc/94/81/62/553948162.db2.gz ARUVKLHDGYVQME-MNAQKMTRSA-N 0 0 642.774 7.625 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970004 553948193 /nfs/dbraw/zinc/94/81/93/553948193.db2.gz KQJRBKGRWIEQPM-FYSMJZIKSA-N 0 0 560.628 5.299 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970040 553948542 /nfs/dbraw/zinc/94/85/42/553948542.db2.gz FFDKEYQNLJXYEG-WENCNXQZSA-N 0 0 598.721 7.370 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970044 553948602 /nfs/dbraw/zinc/94/86/02/553948602.db2.gz IJEYLKQMARZSCU-ADXZGYQBSA-N 0 0 584.694 6.899 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970074 553949067 /nfs/dbraw/zinc/94/90/67/553949067.db2.gz ANSKROOFOOKZOM-XBBWARJSSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970109 553949573 /nfs/dbraw/zinc/94/95/73/553949573.db2.gz RRQDENMUZHVNLS-MQFAKOPTSA-N 0 0 653.156 8.034 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970090 553949632 /nfs/dbraw/zinc/94/96/32/553949632.db2.gz ZQCDVDKJXAEKPK-JCOAXYOVSA-N 0 0 612.748 7.535 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccc(-c3ncc(-c4ccccc4)o3)cc1)N1N=C(SCc3ccccc3)NC1=N2 ZINC000033357616 553949752 /nfs/dbraw/zinc/94/97/52/553949752.db2.gz RVKXXWWVCKIGPP-MUUNZHRXSA-N 0 0 531.641 6.536 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970134 553950010 /nfs/dbraw/zinc/95/00/10/553950010.db2.gz HSCWZHWQCOIECU-CBZJRKILSA-N 0 0 575.086 7.235 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000033357733 553950399 /nfs/dbraw/zinc/95/03/99/553950399.db2.gz RMPFRCRCXFLKPF-JRPXNJEYSA-N 0 0 588.060 6.574 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970185 553950804 /nfs/dbraw/zinc/95/08/04/553950804.db2.gz SYQFAILTFXIMJH-SLQAJWMNSA-N 0 0 584.694 6.980 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970195 553950821 /nfs/dbraw/zinc/95/08/21/553950821.db2.gz RODFQFMQMKGUDI-LJAQVGFWSA-N 0 0 616.692 6.437 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970183 553950826 /nfs/dbraw/zinc/95/08/26/553950826.db2.gz AQUGOHYNMIRTIO-OLILMLBXSA-N 0 0 646.762 6.724 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970240 553951121 /nfs/dbraw/zinc/95/11/21/553951121.db2.gz XTJQPWARTJMKPI-WWOZWPLTSA-N 0 0 609.103 7.635 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970215 553951133 /nfs/dbraw/zinc/95/11/33/553951133.db2.gz CHDVKWFJVGNJHZ-HKBQPEDESA-N 0 0 562.751 8.963 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970237 553951310 /nfs/dbraw/zinc/95/13/10/553951310.db2.gz XTJQPWARTJMKPI-QTEAWJPNSA-N 0 0 609.103 7.635 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970258 553951604 /nfs/dbraw/zinc/95/16/04/553951604.db2.gz HOBSWOPKKAONSB-WRHNGFHOSA-N 0 0 568.695 7.099 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970252 553951714 /nfs/dbraw/zinc/95/17/14/553951714.db2.gz NYVFOLBPVSZCDS-WWOZWPLTSA-N 0 0 633.166 8.024 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970330 553952393 /nfs/dbraw/zinc/95/23/93/553952393.db2.gz HBUNGEMVEMRKAO-AKJBCIBTSA-N 0 0 572.639 5.737 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970318 553952599 /nfs/dbraw/zinc/95/25/99/553952599.db2.gz RSYQNEDZBUBQHZ-URAOTHONSA-N 0 0 582.722 7.588 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970343 553952879 /nfs/dbraw/zinc/95/28/79/553952879.db2.gz YGFVAOPRVQZHCY-XGCWNURASA-N 0 0 554.668 6.709 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097970399 553953729 /nfs/dbraw/zinc/95/37/29/553953729.db2.gz DFQRKEUPRRUXJU-ICACTRECSA-N 0 0 576.649 6.161 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000033358302 553954553 /nfs/dbraw/zinc/95/45/53/553954553.db2.gz PHMFJMUZBXXCIB-KWMCUTETSA-N 0 0 565.022 6.214 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970469 553954688 /nfs/dbraw/zinc/95/46/88/553954688.db2.gz NKQAKJWBUKCAST-UULLZXFKSA-N 0 0 603.096 7.020 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970493 553954904 /nfs/dbraw/zinc/95/49/04/553954904.db2.gz LAEUMNBBMDOXOM-YMGMXPECSA-N 0 0 586.666 6.209 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970579 553955992 /nfs/dbraw/zinc/95/59/92/553955992.db2.gz QULRYCOPLJCSQP-HZAQMHFWSA-N 0 0 612.704 6.765 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970557 553956050 /nfs/dbraw/zinc/95/60/50/553956050.db2.gz IYRVJJSGINNTQC-WRGVRERRSA-N 0 0 598.721 7.145 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1cccc(Br)c1)N2 ZINC000033358482 553956141 /nfs/dbraw/zinc/95/61/41/553956141.db2.gz GDMXUSFMEQZUCT-QXNWPYRLSA-N 0 0 549.468 7.660 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970599 553956223 /nfs/dbraw/zinc/95/62/23/553956223.db2.gz LQEAFIDGTJGIRF-WWOZWPLTSA-N 0 0 614.720 6.989 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097970589 553956268 /nfs/dbraw/zinc/95/62/68/553956268.db2.gz KLYMJXQPSOWZDL-SSEXGKCCSA-N 0 0 550.659 5.505 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097970588 553956406 /nfs/dbraw/zinc/95/64/06/553956406.db2.gz KLYMJXQPSOWZDL-PMERELPUSA-N 0 0 550.659 5.505 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)sc2C1 ZINC000033358573 553956780 /nfs/dbraw/zinc/95/67/80/553956780.db2.gz RWQXCJPWFMWJPX-PSGMQZRDSA-N 0 0 533.645 6.941 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000097970652 553957234 /nfs/dbraw/zinc/95/72/34/553957234.db2.gz YHSRUCQWLCRUQR-SSEXGKCCSA-N 0 0 556.162 9.539 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970678 553957498 /nfs/dbraw/zinc/95/74/98/553957498.db2.gz DFQQALJUILUIJC-CRYYWNKWSA-N 0 0 556.640 6.200 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097970903 553959155 /nfs/dbraw/zinc/95/91/55/553959155.db2.gz FWCQZYLNNMXWRI-WJOKGBTCSA-N 0 0 554.687 5.437 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097970919 553959590 /nfs/dbraw/zinc/95/95/90/553959590.db2.gz WBRYZUKEBRXREE-LJAQVGFWSA-N 0 0 595.523 6.181 50 30 KKEARN COc1ccc(/C=C2\CCC[C@H]3C2=NN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097971197 553961343 /nfs/dbraw/zinc/96/13/43/553961343.db2.gz LZOXXCUXBZTBSU-ABDNWUQYSA-N 0 0 591.733 7.136 50 30 KKEARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000097971194 553961388 /nfs/dbraw/zinc/96/13/88/553961388.db2.gz LZOXXCUXBZTBSU-LNRDEGKZSA-N 0 0 591.733 7.136 50 30 KKEARN CCCCCC1=C(/C=C/c2ccc(Br)cc2)C/C(=C/c2ccc(Br)cc2)C1=O ZINC000033645857 553965750 /nfs/dbraw/zinc/96/57/50/553965750.db2.gz ZZKGQRPZNDQWGP-CGTLHTSDSA-N 0 0 500.274 8.158 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097977056 553974039 /nfs/dbraw/zinc/97/40/39/553974039.db2.gz SDIGOCOORRIHRV-QGZVFWFLSA-N 0 0 578.775 6.531 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097977059 553974060 /nfs/dbraw/zinc/97/40/60/553974060.db2.gz FXYSUBUUWQUMAN-KRWDZBQOSA-N 0 0 521.769 7.233 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000033930643 553977111 /nfs/dbraw/zinc/97/71/11/553977111.db2.gz ILEIRHXDHMUTCQ-BJFGDUBASA-N 0 0 510.030 6.061 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1ccc(Cl)cc1 ZINC000097979220 553977259 /nfs/dbraw/zinc/97/72/59/553977259.db2.gz JTZNYGBILIAABP-UHFFFAOYSA-N 0 0 631.268 6.941 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000033930695 553977410 /nfs/dbraw/zinc/97/74/10/553977410.db2.gz PHSTUHDROAUBFG-QHBODZGPSA-N 0 0 535.637 5.424 50 30 KKEARN COc1cc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000097981445 553994059 /nfs/dbraw/zinc/99/40/59/553994059.db2.gz TUTLYYFDBFPLAX-NTUHNPAUSA-N 0 0 536.053 5.976 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])cc1 ZINC000097981629 553995988 /nfs/dbraw/zinc/99/59/88/553995988.db2.gz HCVZFBVZSANFCP-OMCISZLKSA-N 0 0 534.634 6.365 50 30 KKEARN C=CCn1c(S[C@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000097982304 554000862 /nfs/dbraw/zinc/00/08/62/554000862.db2.gz GEYJEIZTFSZHNH-HKBQPEDESA-N 0 0 677.873 8.997 50 30 KKEARN CCOC(=O)N1C/C(=C\c2ccc(Br)cc2F)C(=O)/C(=C/c2ccc(Br)cc2F)C1 ZINC000097982465 554002493 /nfs/dbraw/zinc/00/24/93/554002493.db2.gz WDSYSROGVBIKFC-BGPOSVGRSA-N 0 0 541.186 5.998 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000097982971 554006883 /nfs/dbraw/zinc/00/68/83/554006883.db2.gz JTOSLEGTIBDUPP-RUZDIDTESA-N 0 0 583.085 9.186 50 30 KKEARN COC(=O)c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000097983010 554006948 /nfs/dbraw/zinc/00/69/48/554006948.db2.gz IQHBQABYZVSJRR-UHFFFAOYSA-N 0 0 582.206 7.334 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000097983026 554007160 /nfs/dbraw/zinc/00/71/60/554007160.db2.gz KJAYCBAZKCPEDL-HHHXNRCGSA-N 0 0 593.149 9.664 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097983023 554007176 /nfs/dbraw/zinc/00/71/76/554007176.db2.gz VJSSQMCSRKCOQH-SANMLTNESA-N 0 0 579.122 9.355 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097983041 554007195 /nfs/dbraw/zinc/00/71/95/554007195.db2.gz YGZYEGLFWIWEQC-RUZDIDTESA-N 0 0 643.991 9.810 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097983044 554007211 /nfs/dbraw/zinc/00/72/11/554007211.db2.gz MTSGPDRGWMSLQD-VWLOTQADSA-N 0 0 690.991 9.652 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097983046 554007239 /nfs/dbraw/zinc/00/72/39/554007239.db2.gz GTNLITOUGXDZBP-VWLOTQADSA-N 0 0 690.991 9.652 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097983048 554007247 /nfs/dbraw/zinc/00/72/47/554007247.db2.gz NZJQOMXBHZMMSL-LJAQVGFWSA-N 0 0 615.155 10.200 50 30 KKEARN O=C(Nc1ccc(I)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1 ZINC000097983205 554007974 /nfs/dbraw/zinc/00/79/74/554007974.db2.gz FVYKJKNJFKFXAW-UHFFFAOYSA-N 0 0 692.082 6.014 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000034792565 554008130 /nfs/dbraw/zinc/00/81/30/554008130.db2.gz VOMWQQNBRCURKR-DENIHFKCSA-N 0 0 501.071 5.921 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/[P@](=NS(=O)(=O)c1ccc(Cl)cc1)(Oc1ccc(C#N)cc1)c1ccccc1 ZINC000097983429 554009426 /nfs/dbraw/zinc/00/94/26/554009426.db2.gz NQXOYDOZTNHHOQ-USMIAKQYSA-N 0 0 588.069 7.690 50 30 KKEARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(Oc2c(F)c(F)c(Oc3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)c(F)c2F)cc1 ZINC000097983427 554009453 /nfs/dbraw/zinc/00/94/53/554009453.db2.gz KZTHJLALWJMLJO-UHFFFAOYSA-N 0 0 708.508 10.370 50 30 KKEARN O=C(Nc1ccc(C(OS(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000097983593 554010357 /nfs/dbraw/zinc/01/03/57/554010357.db2.gz NKWBESGVNCTEME-UHFFFAOYSA-N 0 0 537.865 6.318 50 30 KKEARN COc1ccc2c(c1)C(N1CCCN(C(=O)c3cccc(C#N)c3)CC1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813331 554011273 /nfs/dbraw/zinc/01/12/73/554011273.db2.gz YLXRFUSUYWPVOG-UHFFFAOYSA-N 0 0 520.511 5.618 50 30 KKEARN CC(C)Cc1nnc(NC(=O)c2ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)s1 ZINC000097983855 554012360 /nfs/dbraw/zinc/01/23/60/554012360.db2.gz HJHNTOXFNNDSJR-UHFFFAOYSA-N 0 0 707.406 8.850 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097983918 554012809 /nfs/dbraw/zinc/01/28/09/554012809.db2.gz LFIJZTDUFWGPOU-KRWDZBQOSA-N 0 0 556.790 5.274 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@](=O)(Nc1ccc(SC(F)F)cc1)N(C(C)C)C(C)C ZINC000097984278 554015348 /nfs/dbraw/zinc/01/53/48/554015348.db2.gz OPQPNESHAMODFW-KDXMTYKHSA-N 0 0 653.534 7.484 50 30 KKEARN COc1ccccc1-c1cc(C(=O)N(CCC#N)Cc2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834305 554018621 /nfs/dbraw/zinc/01/86/21/554018621.db2.gz GRESUYOZXTZEKM-UHFFFAOYSA-N 0 0 522.996 5.676 50 30 KKEARN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NCCCNC(=NNc1cc(Cl)ccc1Cl)C(=O)OCC ZINC000097984894 554019359 /nfs/dbraw/zinc/01/93/59/554019359.db2.gz XUBSSFZRBUNLDI-UHFFFAOYSA-N 0 0 592.311 5.147 50 30 KKEARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 ZINC000097986525 554024955 /nfs/dbraw/zinc/02/49/55/554024955.db2.gz BBQXGUBRUJXSRB-UHFFFAOYSA-N 0 0 570.740 5.641 50 30 KKEARN C=CCn1c(COc2cccc3cccnc32)nnc1SCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000097987847 554027399 /nfs/dbraw/zinc/02/73/99/554027399.db2.gz IZZHUEZCVLRFSI-UHFFFAOYSA-N 0 0 535.629 5.523 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccccc1C#N ZINC000034911517 554029218 /nfs/dbraw/zinc/02/92/18/554029218.db2.gz MUSMNOVXINUUFI-MSXFZWOLSA-N 0 0 508.958 6.175 50 30 KKEARN CCCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)NC3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000097995363 554034080 /nfs/dbraw/zinc/03/40/80/554034080.db2.gz WDFLRRHAMIMJBS-QFIPXVFZSA-N 0 0 531.711 6.422 50 30 KKEARN CCCCCCCC1CCC(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000097995708 554036988 /nfs/dbraw/zinc/03/69/88/554036988.db2.gz MHMFAVPQWOZXMY-OWWUNANSSA-N 0 0 504.737 6.207 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000097996963 554038892 /nfs/dbraw/zinc/03/88/92/554038892.db2.gz VEDGELWFUINXLE-UHFFFAOYSA-N 0 0 565.538 9.541 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1ccccc1 ZINC000097997143 554039873 /nfs/dbraw/zinc/03/98/73/554039873.db2.gz DSBUKBLPTQSWQX-MUUNZHRXSA-N 0 0 508.703 6.346 50 30 biogenic KKEARN COC(=O)c1sccc1NN=C1C(=O)N(Cc2c(F)cccc2Cl)c2ccc(Br)cc21 ZINC000097997744 554040217 /nfs/dbraw/zinc/04/02/17/554040217.db2.gz SRKZHUBLSALMHR-NLRVBDNBSA-N 0 0 522.783 5.453 50 30 KKEARN CCCCCCCCCCCCCc1ccc(-c2ccc(SCCCCCCCCCC)cc2)nc1 ZINC000097997815 554040833 /nfs/dbraw/zinc/04/08/33/554040833.db2.gz UFFMWTIEALZRRF-UHFFFAOYSA-N 0 0 509.888 11.835 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cccc(Cl)c4Cl)C(=O)O3)cc2)cc1 ZINC000097998449 554041436 /nfs/dbraw/zinc/04/14/36/554041436.db2.gz RMXAUOYJTAAGLF-OOAXWGSJSA-N 0 0 506.473 8.908 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000097999588 554044358 /nfs/dbraw/zinc/04/43/58/554044358.db2.gz VEFKCJDGLIDSOJ-MFMCTBQISA-N 0 0 612.406 9.193 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097999743 554045538 /nfs/dbraw/zinc/04/55/38/554045538.db2.gz KVFGNMQCZMIODP-LJTBLCAVSA-N 0 0 649.187 8.637 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999772 554045959 /nfs/dbraw/zinc/04/59/59/554045959.db2.gz LGMMQDNXRHFURG-WXWXLQMXSA-N 0 0 663.258 10.107 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999836 554046174 /nfs/dbraw/zinc/04/61/74/554046174.db2.gz FQAVNYLSQUPLDZ-AIJWEMPKSA-N 0 0 607.150 8.547 50 30 KKEARN CSCC[C@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)N1C(=O)c2ccccc2C1=O ZINC000097999838 554046199 /nfs/dbraw/zinc/04/61/99/554046199.db2.gz CUEGMTUSKYVMHM-GDLZYMKVSA-N 0 0 600.700 6.691 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999882 554046788 /nfs/dbraw/zinc/04/67/88/554046788.db2.gz CAJNJSGKHRQOQR-XJDVZLJJSA-N 0 0 683.676 10.452 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000098000323 554050180 /nfs/dbraw/zinc/05/01/80/554050180.db2.gz MVMGPZLMICBGAO-PMERELPUSA-N 0 0 559.839 9.827 50 30 KKEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O ZINC000098000383 554050484 /nfs/dbraw/zinc/05/04/84/554050484.db2.gz RGKOZLHWHUQKFL-UHFFFAOYSA-N 0 0 554.668 5.781 50 30 KKEARN COc1nc(N=NCc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1 ZINC000098000419 554050884 /nfs/dbraw/zinc/05/08/84/554050884.db2.gz RYFTYRIOQLDGMA-LUOAPIJWSA-N 0 0 647.155 5.574 50 30 KKEARN O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000098001578 554052891 /nfs/dbraw/zinc/05/28/91/554052891.db2.gz UJAWQYZLYFWYQP-UHFFFAOYSA-N 0 0 512.650 5.725 50 30 KKEARN C[C@@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098001744 554053074 /nfs/dbraw/zinc/05/30/74/554053074.db2.gz BASHIZYUNGPHGV-XPNCQOHCSA-N 0 0 620.661 7.926 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000098002572 554053318 /nfs/dbraw/zinc/05/33/18/554053318.db2.gz FPJLPOGAWDWZIH-QGZVFWFLSA-N 0 0 502.333 5.388 50 30 biogenic KKEARN N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(C3(c4ccc(NC(=O)CSc5nc(N)c(C#N)cc5C#N)cc4)c4ccccc4-c4ccccc43)cc2)nc1N ZINC000098002716 554054150 /nfs/dbraw/zinc/05/41/50/554054150.db2.gz DAIWCTNLTMGJSD-UHFFFAOYSA-N 0 0 780.899 6.952 50 30 KKEARN CCCCc1ccc(C#N)c(SCC(=O)c2ccc(C(=O)CSc3nc(CCCC)ccc3C#N)cc2)n1 ZINC000098002733 554054489 /nfs/dbraw/zinc/05/44/89/554054489.db2.gz FCSALFQRSIOYLG-UHFFFAOYSA-N 0 0 542.730 6.855 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000098003650 554055779 /nfs/dbraw/zinc/05/57/79/554055779.db2.gz DIGWGDPLQSYITM-RGJYROARSA-N 0 0 627.568 8.892 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO ZINC000098005142 554057104 /nfs/dbraw/zinc/05/71/04/554057104.db2.gz MUWZMPRFSQZJBA-LSMIHOHGSA-N 0 0 569.743 6.169 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000098006358 554061651 /nfs/dbraw/zinc/06/16/51/554061651.db2.gz GAAIGWVTDUSOJG-XMMPIXPASA-N 0 0 536.669 6.185 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccco1)N1CCOCC1 ZINC000035671605 554062517 /nfs/dbraw/zinc/06/25/17/554062517.db2.gz SLNDSZWYERCYMS-DEOSSOPVSA-N 0 0 504.974 5.524 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OCC)cc1 ZINC000098007776 554064550 /nfs/dbraw/zinc/06/45/50/554064550.db2.gz FRCBYUUYHAFMRP-LXWOLXCRSA-N 0 0 533.621 5.996 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008072 554065901 /nfs/dbraw/zinc/06/59/01/554065901.db2.gz LFXDCPDSPDXMSQ-XXAUWVGASA-N 0 0 530.602 5.675 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000098009115 554069391 /nfs/dbraw/zinc/06/93/91/554069391.db2.gz GVCGJXRKGZEWQD-UHFFFAOYSA-N 0 0 535.036 6.968 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCCC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000098009734 554070745 /nfs/dbraw/zinc/07/07/45/554070745.db2.gz YUAHYVLCLLXCIP-UHFFFAOYSA-N 0 0 549.678 6.090 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000035774415 554073847 /nfs/dbraw/zinc/07/38/47/554073847.db2.gz CUFWJLHMRNBGIW-UHFFFAOYSA-N 0 0 501.023 5.471 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035774443 554073857 /nfs/dbraw/zinc/07/38/57/554073857.db2.gz WJRDYRIGXOFSMZ-UHFFFAOYSA-N 0 0 504.549 6.072 50 30 KKEARN C[C@H]1CN(C(=O)c2cc3ccsc3n2Cc2cccc(F)c2)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000035844476 554082877 /nfs/dbraw/zinc/08/28/77/554082877.db2.gz KTVOZMRXWACYTJ-SFHVURJKSA-N 0 0 501.587 5.140 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)CCc1ccc(OC)c(OC)c1 ZINC000098016931 554104696 /nfs/dbraw/zinc/10/46/96/554104696.db2.gz DRUGZZQTLJCKBE-UHFFFAOYSA-N 0 0 608.849 7.852 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)CCc1ccc(OC)c(OC)c1 ZINC000098017046 554105808 /nfs/dbraw/zinc/10/58/08/554105808.db2.gz QXWITRZAWUZCNC-UHFFFAOYSA-N 0 0 587.186 7.026 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1ccc(Cl)cc1 ZINC000098017991 554111657 /nfs/dbraw/zinc/11/16/57/554111657.db2.gz RMJMQWNEXIZXPZ-UHFFFAOYSA-N 0 0 542.101 6.019 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000098019881 554115315 /nfs/dbraw/zinc/11/53/15/554115315.db2.gz BGIVYJGCJRQRQG-UHFFFAOYSA-N 0 0 563.576 6.369 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000035981311 554117740 /nfs/dbraw/zinc/11/77/40/554117740.db2.gz AKAYTSNDHHNYMC-HDNWHIHDSA-N 0 0 510.030 6.061 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000035981308 554117839 /nfs/dbraw/zinc/11/78/39/554117839.db2.gz AKAYTSNDHHNYMC-LLFIXNMYSA-N 0 0 510.030 6.061 50 30 KKEARN Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C(C)C ZINC000098021370 554118383 /nfs/dbraw/zinc/11/83/83/554118383.db2.gz COKVVMQGBFQMIN-UHFFFAOYSA-N 0 0 604.517 7.594 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000035982126 554118526 /nfs/dbraw/zinc/11/85/26/554118526.db2.gz LQIXZGMQNMHKER-OIXWISFJSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000098036917 554121186 /nfs/dbraw/zinc/12/11/86/554121186.db2.gz UDXKFPMWBQXIBP-IDISGSTGSA-N 0 0 523.589 5.670 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1 ZINC000098042812 554122664 /nfs/dbraw/zinc/12/26/64/554122664.db2.gz BFBSUMKWSYRBDG-LHAPQZOASA-N 0 0 566.746 6.949 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000098042924 554123205 /nfs/dbraw/zinc/12/32/05/554123205.db2.gz OZQGYYGFACAQOS-QGZVFWFLSA-N 0 0 518.332 5.268 50 30 KKEARN O=C1CCC(=O)N1c1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(N5C(=O)CCC5=O)c4)c(F)c3F)c(F)c2F)c1 ZINC000098043358 554126818 /nfs/dbraw/zinc/12/68/18/554126818.db2.gz RALQZFCSFBBPKG-UHFFFAOYSA-N 0 0 676.472 7.358 50 30 KKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000098044805 554129801 /nfs/dbraw/zinc/12/98/01/554129801.db2.gz BJDLXTDZOSTXKU-UHFFFAOYSA-N 0 0 573.733 9.317 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000098045019 554130260 /nfs/dbraw/zinc/13/02/60/554130260.db2.gz YLSLKFWINHAIGF-YUYWZBKDSA-N 0 0 589.607 9.772 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O ZINC000098045157 554130929 /nfs/dbraw/zinc/13/09/29/554130929.db2.gz DAHNGKXLYJMOSA-WXGMZPBLSA-N 0 0 613.695 5.688 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(=O)C3[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000098045243 554131326 /nfs/dbraw/zinc/13/13/26/554131326.db2.gz MVQGIUXJCBTBCJ-PBUKZNKTSA-N 0 0 653.573 7.998 50 30 KKEARN CCCCCCCC[S@](=O)C[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000098045811 554134069 /nfs/dbraw/zinc/13/40/69/554134069.db2.gz IPOFRQTXMWTEPB-YQPGIBNTSA-N 0 0 506.737 6.849 50 30 KKEARN Cc1cc(C(F)(F)F)nc(-n2nc(-c3ccc(OC(F)F)cc3)c(Cl)c2-c2ccc(OC(F)F)cc2)n1 ZINC000098046101 554135853 /nfs/dbraw/zinc/13/58/53/554135853.db2.gz MBCZYNKSIPJTDA-UHFFFAOYSA-N 0 0 546.830 7.180 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC=C)cc1 ZINC000098046343 554137924 /nfs/dbraw/zinc/13/79/24/554137924.db2.gz JFFLPNMDHNGKRC-UHFFFAOYSA-N 0 0 551.643 5.797 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000098046594 554141047 /nfs/dbraw/zinc/14/10/47/554141047.db2.gz NALZYYJPWYCAKE-HHHXNRCGSA-N 0 0 553.039 7.312 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046621 554141594 /nfs/dbraw/zinc/14/15/94/554141594.db2.gz XOGYUSXJCKMTMW-MHZLTWQESA-N 0 0 556.640 6.338 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046673 554142410 /nfs/dbraw/zinc/14/24/10/554142410.db2.gz YPJLVMIFGKAENO-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046684 554142424 /nfs/dbraw/zinc/14/24/24/554142424.db2.gz KQUFFLOGBYZGIO-NDEPHWFRSA-N 0 0 586.486 6.202 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037722 554146464 /nfs/dbraw/zinc/14/64/64/554146464.db2.gz HMGRBYFAVRKIJP-YSZBQJHXSA-N 0 0 511.615 5.381 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047288 554148859 /nfs/dbraw/zinc/14/88/59/554148859.db2.gz WANHIFREBISVHA-DEOSSOPVSA-N 0 0 534.634 6.015 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccccc1F ZINC000036040379 554148956 /nfs/dbraw/zinc/14/89/56/554148956.db2.gz QHKIRSUPCDCNDS-UHFFFAOYSA-N 0 0 517.626 5.181 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(=O)Nc1ccc(C)cc1 ZINC000036042876 554151817 /nfs/dbraw/zinc/15/18/17/554151817.db2.gz VWJFSAKAFPZZNN-UHFFFAOYSA-N 0 0 501.052 5.620 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccccc1F ZINC000098047566 554152717 /nfs/dbraw/zinc/15/27/17/554152717.db2.gz JJWULSYEYMIHCL-UHFFFAOYSA-N 0 0 528.958 8.303 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000098047846 554156719 /nfs/dbraw/zinc/15/67/19/554156719.db2.gz VENHRUMRZMUKQF-QFIPXVFZSA-N 0 0 540.366 5.100 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccc(Cl)cc1 ZINC000036051474 554157097 /nfs/dbraw/zinc/15/70/97/554157097.db2.gz SUEFPJOBFKXRRJ-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1cccc(OC)c1 ZINC000036052049 554157955 /nfs/dbraw/zinc/15/79/55/554157955.db2.gz BIWIZWMFPIHCFL-UHFFFAOYSA-N 0 0 515.013 5.777 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)c1ccc(Cl)cc1 ZINC000036052179 554158257 /nfs/dbraw/zinc/15/82/57/554158257.db2.gz ONCKYYAPVGHFIL-UHFFFAOYSA-N 0 0 502.977 5.907 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047987 554158298 /nfs/dbraw/zinc/15/82/98/554158298.db2.gz WJVDFKQPGOFNKY-OWJWWREXSA-N 0 0 530.602 5.325 50 30 KKEARN CCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000098048300 554161066 /nfs/dbraw/zinc/16/10/66/554161066.db2.gz JPPXAYRDSLSJNN-UHFFFAOYSA-N 0 0 506.046 7.452 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098048817 554161842 /nfs/dbraw/zinc/16/18/42/554161842.db2.gz MXXAYPDISSOEOL-VWLOTQADSA-N 0 0 540.454 5.814 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCCN3C(=O)c4ccccc4C3=O)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000098048900 554162328 /nfs/dbraw/zinc/16/23/28/554162328.db2.gz MQLVTXGZAACDEG-UHFFFAOYSA-N 0 0 562.651 5.968 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(CC)cc3)c3cccc(C)c3n2)cc1 ZINC000098050379 554174451 /nfs/dbraw/zinc/17/44/51/554174451.db2.gz BPZAASMYCXEWTR-UHFFFAOYSA-N 0 0 507.674 8.325 50 30 KKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(-c4ccc(/N=C/c5ccc6c(c5)c5ccccc5n6CC)c(C)c4)cc3C)ccc21 ZINC000100004669 554177727 /nfs/dbraw/zinc/17/77/27/554177727.db2.gz GPGPWWJHOUCZMB-XHVGDULWSA-N 0 0 622.816 11.727 50 30 KKEARN O=C1Nc2ccccc2/C1=N\c1ccc(C2(c3ccc(/N=C4/C(=O)Nc5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000100009122 554180568 /nfs/dbraw/zinc/18/05/68/554180568.db2.gz LITUDRHKJCSNSZ-UHFFFAOYSA-N 0 0 606.685 8.196 50 30 KKEARN Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)Sc2nc3ccccc3s2)cs1 ZINC000100015447 554181258 /nfs/dbraw/zinc/18/12/58/554181258.db2.gz UYVFYQGIARQHJC-LSWMGQQCSA-N 0 0 578.744 7.367 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1C ZINC000036117136 554184247 /nfs/dbraw/zinc/18/42/47/554184247.db2.gz XQRVKLFMLWDVTA-HHHXNRCGSA-N 0 0 502.680 6.013 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(F)cc1 ZINC000036117106 554184271 /nfs/dbraw/zinc/18/42/71/554184271.db2.gz HLCAVIFOVYWMLW-SANMLTNESA-N 0 0 506.643 5.844 50 30 KKEARN CCCCCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCCCCCC)c(OC)c4)cc3)cc2)cc1OC ZINC000100031629 554186150 /nfs/dbraw/zinc/18/61/50/554186150.db2.gz NEGSQWJLFWJSPG-ZOZONKMWSA-N 0 0 636.833 10.916 50 30 biogenic KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1 ZINC000036122399 554193764 /nfs/dbraw/zinc/19/37/64/554193764.db2.gz OMRHPFJLDAACNM-RUZDIDTESA-N 0 0 505.640 5.290 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Nc3cccc(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000100050653 554194574 /nfs/dbraw/zinc/19/45/74/554194574.db2.gz JMLPQQSQCHTLQN-UHFFFAOYSA-N 0 0 536.585 7.247 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=Nc3ccccc3)Nc3ccccc3)C2=O)cc1 ZINC000100052227 554194899 /nfs/dbraw/zinc/19/48/99/554194899.db2.gz PFDBTOQIEWWCSZ-SANMLTNESA-N 0 0 501.652 6.811 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000036122948 554194896 /nfs/dbraw/zinc/19/48/96/554194896.db2.gz ULTZNMUQYUOXQA-DEOSSOPVSA-N 0 0 510.059 5.935 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100052644 554194910 /nfs/dbraw/zinc/19/49/10/554194910.db2.gz OYAWYPSJENPRNG-SLQAJWMNSA-N 0 0 544.438 8.193 50 30 KKEARN CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc(C(=O)C(F)(F)F)cc2)cc1 ZINC000100052864 554195176 /nfs/dbraw/zinc/19/51/76/554195176.db2.gz LQCOAQAROPQVJL-FOCLMDBBSA-N 0 0 515.704 10.129 50 30 KKEARN Cc1c(Cl)cccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100056753 554196508 /nfs/dbraw/zinc/19/65/08/554196508.db2.gz RGHLGWFSAQHTCE-PKFXKGHESA-N 0 0 547.998 6.510 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100057030 554196746 /nfs/dbraw/zinc/19/67/46/554196746.db2.gz DEHSWKDYGQQRRS-FDVSRXAVSA-N 0 0 538.610 7.585 50 30 KKEARN Cc1ccccc1OCC(=O)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000100058129 554197319 /nfs/dbraw/zinc/19/73/19/554197319.db2.gz FMGKQFLXFLHVSQ-UHFFFAOYSA-N 0 0 591.320 7.071 50 30 KKEARN O=C(COc1ccccc1)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000100058209 554197351 /nfs/dbraw/zinc/19/73/51/554197351.db2.gz QMSSCZQAXZUJOE-UHFFFAOYSA-N 0 0 577.293 6.763 50 30 KKEARN COc1cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000100060686 554198209 /nfs/dbraw/zinc/19/82/09/554198209.db2.gz WXZAQRBZJUHBLN-VPUKRXIYSA-N 0 0 592.403 5.266 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000100060795 554198216 /nfs/dbraw/zinc/19/82/16/554198216.db2.gz QNNKLGKXXUDCHC-DFNPGOQMSA-N 0 0 563.451 6.411 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000100062786 554199245 /nfs/dbraw/zinc/19/92/45/554199245.db2.gz OXZWUDXJQHUZDL-VYYCAZPPSA-N 0 0 559.585 6.854 50 30 KKEARN CC(C)c1ccc(NC(=O)N2CCS[C@]23c2cc(F)ccc2N(Cc2cccc(C#N)c2)C3=O)cc1 ZINC000036163917 554199533 /nfs/dbraw/zinc/19/95/33/554199533.db2.gz CVFBJKXSMBHYBL-NDEPHWFRSA-N 0 0 500.599 5.801 50 30 KKEARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1ccc(C(C)C)cc1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164157 554199832 /nfs/dbraw/zinc/19/98/32/554199832.db2.gz GXLCMDKLOMTVAX-LJAQVGFWSA-N 0 0 512.635 5.671 50 30 KKEARN CCCCCCCCOc1ccc(/N=C/c2ccc(Sc3cccc4ncccc43)c([N+](=O)[O-])c2)cc1 ZINC000100066898 554200153 /nfs/dbraw/zinc/20/01/53/554200153.db2.gz PITCHTJKRRYKFG-WEMUVCOSSA-N 0 0 513.663 8.784 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000100067996 554200404 /nfs/dbraw/zinc/20/04/04/554200404.db2.gz PYSUTMWGXOAGBZ-CUYSIPJNSA-N 0 0 531.637 6.950 50 30 KKEARN O=C1SC(c2cc(I)ccc2Cl)=N/C1=C/c1ccccc1I ZINC000100069081 554200632 /nfs/dbraw/zinc/20/06/32/554200632.db2.gz VUXQMRNFTYACMW-VGOFMYFVSA-N 0 0 551.574 5.610 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100077116 554204845 /nfs/dbraw/zinc/20/48/45/554204845.db2.gz MMUCCILRDZSCPY-CLOONOSVSA-N 0 0 560.941 6.760 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100077176 554204899 /nfs/dbraw/zinc/20/48/99/554204899.db2.gz IAYZBLMTKCUMHZ-DFXYEROKSA-N 0 0 620.927 6.979 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100079617 554206020 /nfs/dbraw/zinc/20/60/20/554206020.db2.gz AZFAUORCPLFXHF-XHCCPWGMSA-N 0 0 566.492 6.401 50 30 biogenic,in-vitro KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100079633 554206069 /nfs/dbraw/zinc/20/60/69/554206069.db2.gz YKANYHZMUSZSKF-JMQGSBJISA-N 0 0 600.937 6.967 50 30 KKEARN CC(C)Oc1ccc(Br)cc1/C=C1\CCC/C(=C/c2cc(Br)ccc2OC(C)C)C1=O ZINC000100087713 554209572 /nfs/dbraw/zinc/20/95/72/554209572.db2.gz KHEAHQWFFUZTHH-MGYAYREDSA-N 0 0 548.315 8.006 50 30 KKEARN COc1ccccc1N1C(=O)C[C@@H](SC(=NCc2ccccc2)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000100090223 554210675 /nfs/dbraw/zinc/21/06/75/554210675.db2.gz IYWNCVROLBTBMM-JOCHJYFZSA-N 0 0 529.540 5.436 50 30 KKEARN O=C1C[C@@H](SC(=NCc2ccccc2)Nc2ccc(OC(F)(F)Cl)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100091762 554212282 /nfs/dbraw/zinc/21/22/82/554212282.db2.gz GKGQUALCWFFNKH-OAQYLSRUSA-N 0 0 584.859 7.004 50 30 KKEARN C=CCOC[C@H](O)CN(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302526 554212391 /nfs/dbraw/zinc/21/23/91/554212391.db2.gz FYQXAYOJGYBSQP-XMMPIXPASA-N 0 0 503.599 5.140 50 30 KKEARN CCCCCCCN=C(Nc1ccc(OC)cc1)S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000100092332 554212575 /nfs/dbraw/zinc/21/25/75/554212575.db2.gz SVDFXGYCKITSEW-JOCHJYFZSA-N 0 0 554.059 6.667 50 30 KKEARN COc1c(F)c(F)c(Oc2c(Cl)cc(C(C)(C)C)cc2NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F ZINC000100097749 554219342 /nfs/dbraw/zinc/21/93/42/554219342.db2.gz OAQHMARBVBFJFQ-UHFFFAOYSA-N 0 0 583.859 7.812 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000100105659 554220496 /nfs/dbraw/zinc/22/04/96/554220496.db2.gz BNRYOANPOKWDRL-FSPSLNBNSA-N 0 0 522.788 6.142 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100105668 554220573 /nfs/dbraw/zinc/22/05/73/554220573.db2.gz JVNDPPDPQWZJRG-APCTWGCYSA-N 0 0 588.076 6.846 50 30 KKEARN C=CCn1c(SCC(=O)NCCOc2ccccc2)nnc1-c1ccc(OCCCCCCCCCC)cc1 ZINC000100109243 554221226 /nfs/dbraw/zinc/22/12/26/554221226.db2.gz PLFCTSFRXWNNAT-UHFFFAOYSA-N 0 0 550.769 6.938 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1ccc(Br)cc1 ZINC000100110619 554221532 /nfs/dbraw/zinc/22/15/32/554221532.db2.gz OUICTRNEMMDOFM-NMLDKSGZSA-N 0 0 532.794 5.597 50 30 KKEARN CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(C)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100119218 554224085 /nfs/dbraw/zinc/22/40/85/554224085.db2.gz UKOLKPOFSMCTLU-AGZANAATSA-N 0 0 503.624 5.957 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)Nc2ccccc2Br)n1 ZINC000100120165 554224124 /nfs/dbraw/zinc/22/41/24/554224124.db2.gz UDQDCWSOHJKMCJ-FBLLAGFSSA-N 0 0 603.521 5.049 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC=C4[C@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]43)C2)cc1 ZINC000036371485 554224185 /nfs/dbraw/zinc/22/41/85/554224185.db2.gz UYXCBXVQTSNFTP-VDLLBNLESA-N 0 0 540.854 9.110 50 30 KKEARN CC(C)c1cc(C(C)C)c(S(=O)(=O)/N=C2\SCCN2S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1 ZINC000100130453 554225727 /nfs/dbraw/zinc/22/57/27/554225727.db2.gz ORRPNXVIACOQTG-YHZPTAEISA-N 0 0 634.974 8.909 50 30 KKEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100131403 554225809 /nfs/dbraw/zinc/22/58/09/554225809.db2.gz WAHOUKBSITYRQH-LGJNPRDNSA-N 0 0 517.458 5.452 50 30 KKEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000100131747 554226161 /nfs/dbraw/zinc/22/61/61/554226161.db2.gz FHOAITBTXSEEDO-UHFFFAOYSA-N 0 0 576.321 5.873 50 30 KKEARN CCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140021 554227292 /nfs/dbraw/zinc/22/72/92/554227292.db2.gz GXIOOOFPRZNPOI-UHFFFAOYSA-N 0 0 506.646 6.567 50 30 KKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000100140124 554227303 /nfs/dbraw/zinc/22/73/03/554227303.db2.gz NCNPHJFRWXRNSW-RUZDIDTESA-N 0 0 506.646 6.567 50 30 biogenic,in-vitro KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000100142031 554228325 /nfs/dbraw/zinc/22/83/25/554228325.db2.gz LVYWWXMWWHDMLL-HUBRWUETSA-N 0 0 540.619 7.656 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100151137 554231532 /nfs/dbraw/zinc/23/15/32/554231532.db2.gz WZKRXXLLIGYYBV-RZDMPUFOSA-N 0 0 601.099 5.876 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CC34CC5CC(CC(C5)C3)C4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100153951 554232300 /nfs/dbraw/zinc/23/23/00/554232300.db2.gz GKDLVKIJCYVBDM-QCJXEUDISA-N 0 0 538.113 6.525 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160240 554234383 /nfs/dbraw/zinc/23/43/83/554234383.db2.gz LFIDVVLGZFQXDM-XYHYBEPMSA-N 0 0 583.703 5.268 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160251 554234406 /nfs/dbraw/zinc/23/44/06/554234406.db2.gz UWKGGXWZNIEROE-WVQWTBLQSA-N 0 0 553.677 5.259 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160262 554234422 /nfs/dbraw/zinc/23/44/22/554234422.db2.gz AVSMAZUAQICSRL-ZPZUNKDASA-N 0 0 536.694 5.308 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F ZINC000100167054 554237125 /nfs/dbraw/zinc/23/71/25/554237125.db2.gz SNNSEWRFEQJZFE-VEZPTTSMSA-N 0 0 566.714 8.637 50 30 KKEARN CCCCCCCCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)N=C2c2ccc(OCCCC)cc2)cc1 ZINC000100168034 554237643 /nfs/dbraw/zinc/23/76/43/554237643.db2.gz OFWPTHSQBCIREN-MKCFTUBBSA-N 0 0 603.601 9.202 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1/C=N/NC(=S)NCc1ccccc1 ZINC000100167751 554237736 /nfs/dbraw/zinc/23/77/36/554237736.db2.gz SEIUCURRWBHDPR-XODNFHPESA-N 0 0 553.360 6.167 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100171835 554238223 /nfs/dbraw/zinc/23/82/23/554238223.db2.gz UWDIUNOSTYFJKW-IEZKXTBUSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100171845 554238241 /nfs/dbraw/zinc/23/82/41/554238241.db2.gz XQSQYAFSDNMTTM-GVXSCFBNSA-N 0 0 577.102 5.929 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172858 554238971 /nfs/dbraw/zinc/23/89/71/554238971.db2.gz JZHBJZKDLVMSEK-GVXSCFBNSA-N 0 0 587.654 5.184 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172845 554239043 /nfs/dbraw/zinc/23/90/43/554239043.db2.gz AOPGMLGGPIJPBV-KSNOWIBYSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100172936 554239318 /nfs/dbraw/zinc/23/93/18/554239318.db2.gz XCTHBCGREULSSM-YMSRPXOMSA-N 0 0 609.119 6.376 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100172916 554239322 /nfs/dbraw/zinc/23/93/22/554239322.db2.gz UASSYQUYVCHVDY-QGUKFAFCSA-N 0 0 619.671 5.631 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccs1 ZINC000100173514 554239608 /nfs/dbraw/zinc/23/96/08/554239608.db2.gz MZQITWVNWNYJCH-QUURXOELSA-N 0 0 612.626 5.523 50 30 KKEARN COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100176775 554240869 /nfs/dbraw/zinc/24/08/69/554240869.db2.gz IPYXAEQFEGOCJF-LUOAPIJWSA-N 0 0 600.407 5.599 50 30 KKEARN O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100194759 554245840 /nfs/dbraw/zinc/24/58/40/554245840.db2.gz CEFGOZRASOBYKH-JMIUGGIZSA-N 0 0 541.339 5.949 50 30 KKEARN CCN1c2ccccc2S/C1=C1\S/C(=N\c2cc([N+](=O)[O-])ccc2C)N(Cc2ccccc2)C1=O ZINC000100200924 554246990 /nfs/dbraw/zinc/24/69/90/554246990.db2.gz SUEXRJUSAAMQOQ-SCMILFJUSA-N 0 0 502.621 6.468 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000100202725 554247185 /nfs/dbraw/zinc/24/71/85/554247185.db2.gz OIMGSFGYOMXDSW-ONUIUJJFSA-N 0 0 526.589 5.207 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000100203305 554247246 /nfs/dbraw/zinc/24/72/46/554247246.db2.gz UZZRSXPWTKAART-OGLMXYFKSA-N 0 0 572.528 7.636 50 30 KKEARN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1ccccc1C#N ZINC000100215706 554250034 /nfs/dbraw/zinc/25/00/34/554250034.db2.gz KCYKNCLYLMQBJU-SANMLTNESA-N 0 0 541.003 5.931 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000100217520 554251193 /nfs/dbraw/zinc/25/11/93/554251193.db2.gz HHDGBYMBRIHBPS-WNFIAYLZSA-N 0 0 531.634 5.075 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000100232021 554257268 /nfs/dbraw/zinc/25/72/68/554257268.db2.gz QMWKDUIPDOXRAU-RUZDIDTESA-N 0 0 578.434 6.307 50 30 KKEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1C#N ZINC000100235127 554258093 /nfs/dbraw/zinc/25/80/93/554258093.db2.gz AXDAREAOPIXIBF-DHRITJCHSA-N 0 0 528.306 5.105 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)S/C2=N/c2ccccc2)cc1 ZINC000100236654 554258644 /nfs/dbraw/zinc/25/86/44/554258644.db2.gz NYOCVIHGOJLREV-OUCLYXNJSA-N 0 0 549.652 6.517 50 30 KKEARN Clc1ccc(Cn2cc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)c3ccccc32)c(Cl)c1 ZINC000100257551 554264671 /nfs/dbraw/zinc/26/46/71/554264671.db2.gz GIWFMBCOMPYLSA-KBVAKVRCSA-N 0 0 534.495 6.433 50 30 KKEARN CCN(CC)[P@@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000038141355 554264712 /nfs/dbraw/zinc/26/47/12/554264712.db2.gz CLRBUOIUXOJEFB-QNGWXLTQSA-N 0 0 543.952 5.191 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000100275650 554272199 /nfs/dbraw/zinc/27/21/99/554272199.db2.gz IQFLJFMTDIDSRY-RZWNPCLDSA-N 0 0 571.468 6.426 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100281204 554276711 /nfs/dbraw/zinc/27/67/11/554276711.db2.gz FRACAHQQYRFMMA-CALDVZBHSA-N 0 0 582.078 5.347 50 30 KKEARN CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2Cc2ccccc2)cc1 ZINC000100284949 554279167 /nfs/dbraw/zinc/27/91/67/554279167.db2.gz APRQTJAXLKFDDF-UHFFFAOYSA-N 0 0 502.699 7.997 50 30 KKEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OCCCCCCCCCC)cc1 ZINC000100286554 554280559 /nfs/dbraw/zinc/28/05/59/554280559.db2.gz FTKSBJPDOXDMRR-UHFFFAOYSA-N 0 0 503.716 7.819 50 30 KKEARN CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000040165444 554282914 /nfs/dbraw/zinc/28/29/14/554282914.db2.gz SRRQPVVYXBTRQK-XMMPIXPASA-O 0 0 510.673 5.602 50 30 endogenous,in-man KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000100304882 554293294 /nfs/dbraw/zinc/29/32/94/554293294.db2.gz VBHFMRFHHGPXIA-WHQPAHRZSA-N 0 0 526.839 8.093 50 30 KKEARN CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000100306346 554294902 /nfs/dbraw/zinc/29/49/02/554294902.db2.gz OYBMVMAXKOGYDC-UHFFFAOYSA-N 0 0 554.137 10.644 50 30 in-vitro KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccccc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000100307297 554295751 /nfs/dbraw/zinc/29/57/51/554295751.db2.gz KHHIGOKHZWQCEZ-TXBHVNISSA-N 0 0 557.594 5.926 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308085 554296332 /nfs/dbraw/zinc/29/63/32/554296332.db2.gz AKJKRWBORIUWOK-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O ZINC000043065317 554297469 /nfs/dbraw/zinc/29/74/69/554297469.db2.gz ZGNITFSDLCMLGI-UHFFFAOYSA-N 0 0 682.396 5.694 50 30 in-vitro KKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000043380062 554298335 /nfs/dbraw/zinc/29/83/35/554298335.db2.gz HZIRBXILQRLFIK-VPZZKNKNSA-N 0 0 575.751 6.199 50 30 in-vitro KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100313155 554301832 /nfs/dbraw/zinc/30/18/32/554301832.db2.gz GPFRFLGWHFUUDF-XKWKWDCESA-N 0 0 502.611 6.960 50 30 KKEARN Cc1cc([C@@H](C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000100332778 554315108 /nfs/dbraw/zinc/31/51/08/554315108.db2.gz AIUGSWSMVFXFNR-SNSDHJTQSA-N 0 0 532.515 8.115 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000049722716 554324620 /nfs/dbraw/zinc/32/46/20/554324620.db2.gz PEINYWSPPBNITE-GKVSMKOHSA-N 0 0 546.447 5.562 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1Cc1ccccc1Cl ZINC000050860671 554327869 /nfs/dbraw/zinc/32/78/69/554327869.db2.gz VPXVADFDRYAVFF-UHFFFAOYSA-N 0 0 540.498 6.887 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000053254274 554330299 /nfs/dbraw/zinc/33/02/99/554330299.db2.gz OXZCHJWKUKCRRR-UHFFFAOYSA-N 0 0 533.878 7.987 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348150 554330573 /nfs/dbraw/zinc/33/05/73/554330573.db2.gz HMYJTKHPJVYVMR-FZWCJVCJSA-N 0 0 554.068 5.569 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000053289994 554330950 /nfs/dbraw/zinc/33/09/50/554330950.db2.gz MCTKXNODNLRCJD-VWLOTQADSA-N 0 0 531.077 7.647 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000053290006 554331222 /nfs/dbraw/zinc/33/12/22/554331222.db2.gz CQDXQDMOCVHISH-QHCPKHFHSA-N 0 0 535.021 6.367 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053305755 554332717 /nfs/dbraw/zinc/33/27/17/554332717.db2.gz RFCXRLLVQZFEHL-XMMPIXPASA-N 0 0 563.473 6.857 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000053305929 554333076 /nfs/dbraw/zinc/33/30/76/554333076.db2.gz ZBTVEZAYTNGJOI-OLILMLBXSA-N 0 0 550.577 6.947 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305917 554333187 /nfs/dbraw/zinc/33/31/87/554333187.db2.gz PTQDCRHOSXONTK-VWLOTQADSA-N 0 0 532.593 6.324 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053306167 554333554 /nfs/dbraw/zinc/33/35/54/554333554.db2.gz OCHLNDFNPHNFBB-XMMPIXPASA-N 0 0 535.021 6.367 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306614 554333981 /nfs/dbraw/zinc/33/39/81/554333981.db2.gz DQPMAGANHYLJKQ-DEOSSOPVSA-N 0 0 563.473 6.857 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306339 554334079 /nfs/dbraw/zinc/33/40/79/554334079.db2.gz XRVKIGIYXWDWRI-AREMUKBSSA-N 0 0 528.630 6.610 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053306779 554334348 /nfs/dbraw/zinc/33/43/48/554334348.db2.gz WVMKZACDBFACGN-MHZLTWQESA-N 0 0 556.640 6.256 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307040 554334629 /nfs/dbraw/zinc/33/46/29/554334629.db2.gz OKFWBSCXTVIWDH-MHZLTWQESA-N 0 0 540.685 7.392 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307037 554334816 /nfs/dbraw/zinc/33/48/16/554334816.db2.gz OKFWBSCXTVIWDH-HHHXNRCGSA-N 0 0 540.685 7.392 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000053307575 554335188 /nfs/dbraw/zinc/33/51/88/554335188.db2.gz JPGNHVUTNCOJSH-MUUNZHRXSA-N 0 0 539.890 8.033 50 30 KKEARN COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000053319363 554337499 /nfs/dbraw/zinc/33/74/99/554337499.db2.gz FMNFNISYRWLBMH-VWLOTQADSA-N 0 0 527.602 5.525 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1C ZINC000053319394 554337513 /nfs/dbraw/zinc/33/75/13/554337513.db2.gz HPLUMIAKUYCBTA-VWLOTQADSA-N 0 0 535.438 6.110 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000053319397 554337559 /nfs/dbraw/zinc/33/75/59/554337559.db2.gz BSZNIECWIAQEGG-AREMUKBSSA-N 0 0 549.465 5.476 50 30 KKEARN Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053319387 554337617 /nfs/dbraw/zinc/33/76/17/554337617.db2.gz XNVMXNVMLSHKIR-OAQYLSRUSA-N 0 0 523.383 6.289 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@@H]2c1cccc(Br)c1 ZINC000053319360 554337637 /nfs/dbraw/zinc/33/76/37/554337637.db2.gz PZFUMDQZVSIXIG-SXOMAYOGSA-N 0 0 529.434 6.935 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053319463 554338307 /nfs/dbraw/zinc/33/83/07/554338307.db2.gz ZZYNOWAOCKRHJY-XKWLHOGNSA-N 0 0 581.112 8.306 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053332402 554338892 /nfs/dbraw/zinc/33/88/92/554338892.db2.gz IOMDXLIZGUSVTP-SOKVYYICSA-N 0 0 540.641 6.535 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332230 554338950 /nfs/dbraw/zinc/33/89/50/554338950.db2.gz IZEABDIZIXOKJN-AREMUKBSSA-N 0 0 540.597 5.724 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053333200 554339290 /nfs/dbraw/zinc/33/92/90/554339290.db2.gz ZQNINOHOGRILDT-BZQUYTCOSA-N 0 0 528.586 5.420 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000053334015 554339796 /nfs/dbraw/zinc/33/97/96/554339796.db2.gz KOGLUBGNPXGHJU-JCOAXYOVSA-N 0 0 572.467 8.739 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334842 554340102 /nfs/dbraw/zinc/34/01/02/554340102.db2.gz MDECOUXBDRFDQN-MUUNZHRXSA-N 0 0 570.667 6.646 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334248 554340156 /nfs/dbraw/zinc/34/01/56/554340156.db2.gz OHACVFYIOILGTP-AREMUKBSSA-N 0 0 528.630 6.412 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053335614 554340992 /nfs/dbraw/zinc/34/09/92/554340992.db2.gz OFJJFZRERNPNDG-IQMFZBJNSA-N 0 0 548.617 5.133 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000053335703 554341123 /nfs/dbraw/zinc/34/11/23/554341123.db2.gz BYDHMMQIFBWTPU-DFXYEROKSA-N 0 0 582.722 7.444 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053335360 554341209 /nfs/dbraw/zinc/34/12/09/554341209.db2.gz GIJJZSCGUGKXFS-AREMUKBSSA-N 0 0 528.630 6.357 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053336914 554341679 /nfs/dbraw/zinc/34/16/79/554341679.db2.gz DPIXBAYOUNYRCW-QLXKLKPCSA-N 0 0 526.614 6.028 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053336945 554341763 /nfs/dbraw/zinc/34/17/63/554341763.db2.gz YZQWXGBTXIVNCL-VWLOTQADSA-N 0 0 530.602 5.667 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053340235 554344170 /nfs/dbraw/zinc/34/41/70/554344170.db2.gz DPGRUJSHXFNNGL-LJAQVGFWSA-N 0 0 584.694 7.036 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Br)c1O ZINC000053354700 554344634 /nfs/dbraw/zinc/34/46/34/554344634.db2.gz KXVLSZFRRBZWIB-HWRSSNJWSA-N 0 0 525.830 6.796 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000053359622 554344972 /nfs/dbraw/zinc/34/49/72/554344972.db2.gz GWPFXAHYCDZPRO-WKRVVKTRSA-N 0 0 539.462 8.208 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053359676 554345260 /nfs/dbraw/zinc/34/52/60/554345260.db2.gz IXRIDFAUGCRCBX-WNSROMTISA-N 0 0 551.086 8.297 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)C2)cc1OC ZINC000053359682 554345320 /nfs/dbraw/zinc/34/53/20/554345320.db2.gz FWCDMNISLAQFNB-RBBQXQBVSA-N 0 0 565.069 7.572 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Cl)OCO3)cc(OC)c1OC ZINC000053359700 554345439 /nfs/dbraw/zinc/34/54/39/554345439.db2.gz UPIZWWQFBASRMW-HBIPHATFSA-N 0 0 534.996 6.074 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000053360255 554345462 /nfs/dbraw/zinc/34/54/62/554345462.db2.gz GFDYQILSERCGFQ-SFRLIIPVSA-N 0 0 550.699 7.859 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100361748 554345604 /nfs/dbraw/zinc/34/56/04/554345604.db2.gz CSHMCOOMPOOMSH-PGWWVJEZSA-N 0 0 554.068 5.569 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100361734 554345679 /nfs/dbraw/zinc/34/56/79/554345679.db2.gz CSHMCOOMPOOMSH-FZWCJVCJSA-N 0 0 554.068 5.569 50 30 KKEARN CCCCCCCCNc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)c2c1C(=O)c1ccccc1C2=O ZINC000100364901 554350624 /nfs/dbraw/zinc/35/06/24/554350624.db2.gz XAEGUNSNHCOJFY-UHFFFAOYSA-N 0 0 516.726 8.025 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1OCc1ccccc1 ZINC000100373676 554358447 /nfs/dbraw/zinc/35/84/47/554358447.db2.gz KOVHAMRDJDRMSK-MFKUBSTISA-N 0 0 524.013 7.032 50 30 KKEARN Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2Cl)cc1Cl ZINC000100375470 554359990 /nfs/dbraw/zinc/35/99/90/554359990.db2.gz TZNAZEZPHGFFAW-UHFFFAOYSA-N 0 0 559.877 6.674 50 30 KKEARN O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccc(OC(F)(F)F)cc1 ZINC000100384696 554364567 /nfs/dbraw/zinc/36/45/67/554364567.db2.gz BNPBBOCVWNKRSR-NRFANRHFSA-N 0 0 562.388 7.587 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3c(C)cccc3C)c(OCC)c2)SC1=S ZINC000059211770 554384967 /nfs/dbraw/zinc/38/49/67/554384967.db2.gz GCPLMNAENHRLNP-QNGOZBTKSA-N 0 0 548.524 6.310 50 30 KKEARN Ic1ccc(/N=C/c2ccccc2Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000100419015 554385444 /nfs/dbraw/zinc/38/54/44/554385444.db2.gz JBXZMNQGBYLFDU-MTDXEUNCSA-N 0 0 505.355 7.413 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000100455071 554396092 /nfs/dbraw/zinc/39/60/92/554396092.db2.gz PMYKMKWQXAZFAQ-WIJYMUHASA-N 0 0 525.317 5.613 50 30 KKEARN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4Cl)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000100463664 554397693 /nfs/dbraw/zinc/39/76/93/554397693.db2.gz ZINQLDZGOCTMCB-WKULSOCRSA-N 0 0 526.403 6.757 50 30 KKEARN N#[N+][N-]c1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000100471281 554398788 /nfs/dbraw/zinc/39/87/88/554398788.db2.gz HHCBOUBSYYCQRK-LICLKQGHSA-N 0 0 503.562 6.713 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2Br)cc1OC ZINC000059503714 554399620 /nfs/dbraw/zinc/39/96/20/554399620.db2.gz QYBAQZRAWTVGNI-DFXYEROKSA-N 0 0 587.514 6.775 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000100472304 554399759 /nfs/dbraw/zinc/39/97/59/554399759.db2.gz SWAGUYYZZPISGD-KDLAUNOPSA-N 0 0 501.501 5.382 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000059503812 554400187 /nfs/dbraw/zinc/40/01/87/554400187.db2.gz CCZJEJJXQQWYAK-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000059504049 554400567 /nfs/dbraw/zinc/40/05/67/554400567.db2.gz RJFXQZPJGGOXPO-XMMPIXPASA-N 0 0 582.520 6.319 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000059515172 554402751 /nfs/dbraw/zinc/40/27/51/554402751.db2.gz RFASBIOYCDECAK-GTYOFVGBSA-N 0 0 567.642 6.229 50 30 KKEARN COc1ccc(C2=NN(c3ccc(/C=C/C(=O)c4ccc(-c5ccccc5)cc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000100499911 554405289 /nfs/dbraw/zinc/40/52/89/554405289.db2.gz XDEYSUXIZIASQZ-IRCNSDTQSA-N 0 0 534.659 8.614 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2Cl)cc1OC ZINC000059524794 554405846 /nfs/dbraw/zinc/40/58/46/554405846.db2.gz LALOZVFKQJMNCO-IIMAJNMQSA-N 0 0 543.063 6.666 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2Cl)cc1OC ZINC000059524805 554405887 /nfs/dbraw/zinc/40/58/87/554405887.db2.gz LALOZVFKQJMNCO-URAOTHONSA-N 0 0 543.063 6.666 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000059530940 554406902 /nfs/dbraw/zinc/40/69/02/554406902.db2.gz RQIAAEOJMBLDDC-WKRVVKTRSA-N 0 0 570.711 6.435 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000059530941 554406917 /nfs/dbraw/zinc/40/69/17/554406917.db2.gz RQIAAEOJMBLDDC-UVDDSOTQSA-N 0 0 570.711 6.435 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(Cl)c1O ZINC000059596116 554408522 /nfs/dbraw/zinc/40/85/22/554408522.db2.gz OMEPAFNYWRWEQK-OGHKIJNOSA-N 0 0 556.030 5.667 50 30 KKEARN Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3O)cc2)c1 ZINC000100539766 554412787 /nfs/dbraw/zinc/41/27/87/554412787.db2.gz KNAGVTYLQRXEIQ-KBVAKVRCSA-N 0 0 533.853 7.710 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000100543890 554413435 /nfs/dbraw/zinc/41/34/35/554413435.db2.gz GNNYEFUQMXXBMU-SYAIXCBXSA-N 0 0 545.035 7.875 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000100550717 554414682 /nfs/dbraw/zinc/41/46/82/554414682.db2.gz MZQGMZCHLANECT-ZTOMLWHTSA-N 0 0 544.047 6.202 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059626425 554414837 /nfs/dbraw/zinc/41/48/37/554414837.db2.gz CXMQPDCTRXYJQU-YGZVCBRSSA-N 0 0 532.593 5.077 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100552183 554415104 /nfs/dbraw/zinc/41/51/04/554415104.db2.gz KGUWVOXEWIEIMH-UVDDSOTQSA-N 0 0 618.524 6.450 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000100554307 554415838 /nfs/dbraw/zinc/41/58/38/554415838.db2.gz ZIAPDLGHZNSKQI-GTYOFVGBSA-N 0 0 558.074 6.723 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2cc3cc(Br)ccc3oc2=O)cc1 ZINC000100556048 554415973 /nfs/dbraw/zinc/41/59/73/554415973.db2.gz PVTAAJWDODFQCY-UHFFFAOYSA-N 0 0 500.433 7.327 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100554395 554416042 /nfs/dbraw/zinc/41/60/42/554416042.db2.gz OAKSUYZJRUMOEN-GOXGLGGOSA-N 0 0 556.102 7.275 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100556710 554416288 /nfs/dbraw/zinc/41/62/88/554416288.db2.gz WOFLXKHCJHZUJA-RCRUUEGKSA-N 0 0 542.031 6.216 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100556671 554416328 /nfs/dbraw/zinc/41/63/28/554416328.db2.gz RJMIAGVDWNDBHJ-UKJJDJLKSA-N 0 0 537.656 6.458 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557434 554416740 /nfs/dbraw/zinc/41/67/40/554416740.db2.gz WZXFVRSYNRSROX-PZGXJGMVSA-N 0 0 530.020 6.029 50 30 KKEARN CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059641071 554416768 /nfs/dbraw/zinc/41/67/68/554416768.db2.gz QAGIXCRBQCTUHQ-MUUNZHRXSA-N 0 0 549.502 7.908 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100558078 554416955 /nfs/dbraw/zinc/41/69/55/554416955.db2.gz OBICSDQEKAZEQJ-QNLPTKCRSA-N 0 0 569.654 5.783 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100559343 554417503 /nfs/dbraw/zinc/41/75/03/554417503.db2.gz MGZSQHBGHWAAHA-RCRUUEGKSA-N 0 0 560.046 6.038 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100559719 554417533 /nfs/dbraw/zinc/41/75/33/554417533.db2.gz ZMEQXLUJCKPEBE-FWUCURJTSA-N 0 0 602.525 6.614 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100559340 554417549 /nfs/dbraw/zinc/41/75/49/554417549.db2.gz MGZSQHBGHWAAHA-SMSORMJASA-N 0 0 560.046 6.038 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559853 554417815 /nfs/dbraw/zinc/41/78/15/554417815.db2.gz GVQKZXPLGSCPKI-IIMAJNMQSA-N 0 0 608.518 7.082 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562384 554418398 /nfs/dbraw/zinc/41/83/98/554418398.db2.gz SJHXCFXLHWTTSX-IADCTJSHSA-N 0 0 576.918 7.250 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Br)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100562998 554418699 /nfs/dbraw/zinc/41/86/99/554418699.db2.gz AACIDKCASCFPJZ-RBISFHTESA-N 0 0 528.446 6.554 50 30 KKEARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000100565874 554419770 /nfs/dbraw/zinc/41/97/70/554419770.db2.gz UZDGEIMBCKRECJ-AWEZNQCLSA-N 0 0 566.442 7.030 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100570484 554421827 /nfs/dbraw/zinc/42/18/27/554421827.db2.gz AZSKIGFMXFBHJR-SBGXGKRISA-N 0 0 523.998 5.238 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100581535 554425025 /nfs/dbraw/zinc/42/50/25/554425025.db2.gz MDOUEPTWXUHIKX-NFQMXDRXSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000059706382 554425960 /nfs/dbraw/zinc/42/59/60/554425960.db2.gz AREPECJUZZJLPH-KCWXNJEJSA-N 0 0 536.068 6.682 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000059706323 554425981 /nfs/dbraw/zinc/42/59/81/554425981.db2.gz ZZEZBNKOVMGPCS-NYFMKLKXSA-N 0 0 551.683 6.632 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000059706351 554425998 /nfs/dbraw/zinc/42/59/98/554425998.db2.gz ULPLNEXWCWLBSI-OLILMLBXSA-N 0 0 566.094 6.690 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000059706445 554426235 /nfs/dbraw/zinc/42/62/35/554426235.db2.gz YVPJEJAIOCYVNG-WRHNGFHOSA-N 0 0 554.470 6.960 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706406 554426325 /nfs/dbraw/zinc/42/63/25/554426325.db2.gz OSSKRQSOTDTIOW-XQJOSWFISA-N 0 0 564.726 6.689 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588015 554427318 /nfs/dbraw/zinc/42/73/18/554427318.db2.gz XYPRDYZQRQWKPW-HMILPKGGSA-N 0 0 614.533 6.187 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588033 554427357 /nfs/dbraw/zinc/42/73/57/554427357.db2.gz DSRPAMMUSFLZJP-DNOBIOAJSA-N 0 0 600.506 5.884 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccsc2)cc1 ZINC000059736114 554427687 /nfs/dbraw/zinc/42/76/87/554427687.db2.gz OXODWFAYXKHAFD-WTYVLRPYSA-N 0 0 530.646 5.774 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059771910 554428704 /nfs/dbraw/zinc/42/87/04/554428704.db2.gz ONPQWFBCOGIOJJ-OAQYLSRUSA-N 0 0 576.948 6.128 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100593300 554429254 /nfs/dbraw/zinc/42/92/54/554429254.db2.gz JCCHLPNDXOLUEW-UGDMGKLASA-N 0 0 561.675 6.046 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100597614 554430348 /nfs/dbraw/zinc/43/03/48/554430348.db2.gz NHKCKZRSCDFFKN-MYUZEXMDSA-N 0 0 600.506 5.797 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597709 554430358 /nfs/dbraw/zinc/43/03/58/554430358.db2.gz FYRVBYRBETUEAO-UXCMTWRGSA-N 0 0 625.718 6.175 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597712 554430441 /nfs/dbraw/zinc/43/04/41/554430441.db2.gz FYRVBYRBETUEAO-JCVFDAPQSA-N 0 0 625.718 6.175 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000100597775 554430668 /nfs/dbraw/zinc/43/06/68/554430668.db2.gz XGZIPJXFCHUPFI-PIIWDFAUSA-N 0 0 553.677 5.076 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000100597783 554430692 /nfs/dbraw/zinc/43/06/92/554430692.db2.gz XGZIPJXFCHUPFI-MMTVBGGISA-N 0 0 553.677 5.076 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100597850 554430941 /nfs/dbraw/zinc/43/09/41/554430941.db2.gz IXAQNDHRFOVVDJ-JIYROHSKSA-N 0 0 585.653 5.402 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100600025 554431301 /nfs/dbraw/zinc/43/13/01/554431301.db2.gz MZBNQWBJXQSTKC-KMRXNPHXSA-N 0 0 573.608 6.052 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100600135 554431531 /nfs/dbraw/zinc/43/15/31/554431531.db2.gz UNBPJAWFAIOQTI-KWMCUTETSA-N 0 0 600.506 5.798 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000100608086 554432272 /nfs/dbraw/zinc/43/22/72/554432272.db2.gz XELPOWFFNDEZGX-WJOKGBTCSA-N 0 0 536.672 6.825 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3nnc(-c4ccccc4)c(-c4ccccc4)n3)C(=O)c3ccccc32)cc1 ZINC000100633541 554435535 /nfs/dbraw/zinc/43/55/35/554435535.db2.gz ZYQOQXNLCCMFKS-RLANJUCJSA-N 0 0 574.687 6.565 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100636190 554435826 /nfs/dbraw/zinc/43/58/26/554435826.db2.gz QZUOLJPLVDZZEN-HVIPQOSHSA-N 0 0 537.656 6.587 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650157 554437141 /nfs/dbraw/zinc/43/71/41/554437141.db2.gz RWWBTZIYKAIXBO-NRFANRHFSA-N 0 0 534.376 6.106 50 30 KKEARN CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO ZINC000100652258 554437361 /nfs/dbraw/zinc/43/73/61/554437361.db2.gz UOFCAQWHTQFNHS-UHFFFAOYSA-N 0 0 506.765 5.560 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(F)c(Oc2ccccc2)c1 ZINC000100657400 554438232 /nfs/dbraw/zinc/43/82/32/554438232.db2.gz DDPPPBAEOWRCTL-YTTGMZPUSA-N 0 0 532.615 8.071 50 30 KKEARN O=C(C(=O)[C@H](c1ccccc1)[C@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000100660295 554438502 /nfs/dbraw/zinc/43/85/02/554438502.db2.gz GJTHMHRZFIJUGA-MKTDKWDHSA-N 0 0 532.639 7.816 50 30 KKEARN O=C(Oc1ccc(-c2ccc(O)cc2)cc1)[C@@](F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F ZINC000100661837 554439083 /nfs/dbraw/zinc/43/90/83/554439083.db2.gz DJAOEKZXQIPPOC-CQSZACIVSA-N 0 0 593.267 6.531 50 30 KKEARN COc1cc(OC)c([C@@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100664945 554439887 /nfs/dbraw/zinc/43/98/87/554439887.db2.gz GHHKHNBJQZMEPF-RUZDIDTESA-N 0 0 612.546 6.327 50 30 KKEARN COc1ccc(NC(=NC(=O)N2c3ccccc3Sc3ccccc32)Nc2nc(C)cc(C)n2)c(OC)c1 ZINC000100668226 554440479 /nfs/dbraw/zinc/44/04/79/554440479.db2.gz RDRNQZUTDDVJOA-UHFFFAOYSA-N 0 0 526.622 6.414 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000100668536 554440504 /nfs/dbraw/zinc/44/05/04/554440504.db2.gz YYVLATHVNYNJOY-QYTMHSNXSA-N 0 0 559.685 7.886 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000100669925 554440994 /nfs/dbraw/zinc/44/09/94/554440994.db2.gz OHCQYJFGPKSQHY-OAQYLSRUSA-N 0 0 539.779 6.728 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100670307 554441326 /nfs/dbraw/zinc/44/13/26/554441326.db2.gz STPXDHXLWFLOPK-OAQYLSRUSA-N 0 0 535.269 6.394 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672102 554441529 /nfs/dbraw/zinc/44/15/29/554441529.db2.gz MBVLAHPEACZZBI-PMERELPUSA-N 0 0 534.612 6.750 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000100671735 554441582 /nfs/dbraw/zinc/44/15/82/554441582.db2.gz BFPPSYYVZSMNFP-QGZVFWFLSA-N 0 0 609.795 6.413 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100672409 554442019 /nfs/dbraw/zinc/44/20/19/554442019.db2.gz SBIRVLAWUDOJPJ-WJOKGBTCSA-N 0 0 568.670 5.653 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(Br)cc1 ZINC000100673822 554442208 /nfs/dbraw/zinc/44/22/08/554442208.db2.gz YAAKXSZWHXTNAS-DCEDVJGZSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674156 554442620 /nfs/dbraw/zinc/44/26/20/554442620.db2.gz PNMHLOUFUSRSFJ-SJHFQCKASA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100673950 554442641 /nfs/dbraw/zinc/44/26/41/554442641.db2.gz RFTHGYVUIMIHLJ-SATCGAIXSA-N 0 0 581.665 6.201 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000100676378 554444033 /nfs/dbraw/zinc/44/40/33/554444033.db2.gz GBDHPYDFFZZLEP-MWGIVGCISA-N 0 0 539.035 6.561 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677337 554444678 /nfs/dbraw/zinc/44/46/78/554444678.db2.gz VAJBLVZBNBVMHC-HSZRJFAPSA-N 0 0 534.609 6.148 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000100678355 554444941 /nfs/dbraw/zinc/44/49/41/554444941.db2.gz CZYJWNRGPUWWBJ-GDLZYMKVSA-N 0 0 536.584 5.456 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100680822 554446791 /nfs/dbraw/zinc/44/67/91/554446791.db2.gz LHAVDILIRFJDLH-SSEXGKCCSA-N 0 0 554.643 5.263 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681231 554447599 /nfs/dbraw/zinc/44/75/99/554447599.db2.gz SBRHTZVMHZQNEW-GDLZYMKVSA-N 0 0 547.648 6.671 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000059844659 554448028 /nfs/dbraw/zinc/44/80/28/554448028.db2.gz IWOCRYKSOJBYNE-KMRXNPHXSA-N 0 0 537.678 5.457 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100689818 554449577 /nfs/dbraw/zinc/44/95/77/554449577.db2.gz MNNOWJDFXPBZBS-CJAUYULYSA-N 0 0 572.521 5.821 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100689813 554449589 /nfs/dbraw/zinc/44/95/89/554449589.db2.gz MNNOWJDFXPBZBS-IQGLISFBSA-N 0 0 572.521 5.821 50 30 KKEARN C/C(=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccc(Br)cc1 ZINC000100690386 554449929 /nfs/dbraw/zinc/44/99/29/554449929.db2.gz HRDNUVCBTCPLGU-MBTHVWNTSA-N 0 0 523.456 5.897 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=N ZINC000100701171 554451699 /nfs/dbraw/zinc/45/16/99/554451699.db2.gz DLMMJRWNJITSNT-NDEPHWFRSA-N 0 0 507.763 7.843 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100701596 554451989 /nfs/dbraw/zinc/45/19/89/554451989.db2.gz PXIWSRSULJALIP-OAQYLSRUSA-N 0 0 553.984 7.395 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000100701594 554451999 /nfs/dbraw/zinc/45/19/99/554451999.db2.gz PUFFZOISRJEBQH-QFIPXVFZSA-N 0 0 523.014 7.795 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100701598 554452020 /nfs/dbraw/zinc/45/20/20/554452020.db2.gz PXIWSRSULJALIP-NRFANRHFSA-N 0 0 553.984 7.395 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000100701581 554452027 /nfs/dbraw/zinc/45/20/27/554452027.db2.gz DFZFMALKTHJEQO-OAQYLSRUSA-N 0 0 526.977 7.626 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl ZINC000100701607 554452035 /nfs/dbraw/zinc/45/20/35/554452035.db2.gz SAIYJPIUYUOBCE-LJQANCHMSA-N 0 0 502.980 5.707 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1OC)C(Cl)(Cl)Cl ZINC000100703526 554452768 /nfs/dbraw/zinc/45/27/68/554452768.db2.gz SURLOVSPHSRNOZ-DEOSSOPVSA-N 0 0 612.064 8.184 50 30 KKEARN COc1ccc2[nH]c(C)c(CCN(Cc3cc(OC)c(OC)c(OC)c3)C(=S)NCCc3ccccc3)c2c1 ZINC000100710807 554453513 /nfs/dbraw/zinc/45/35/13/554453513.db2.gz IBRLXUXRAZPDMV-UHFFFAOYSA-N 0 0 547.721 6.084 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100722465 554456275 /nfs/dbraw/zinc/45/62/75/554456275.db2.gz WIFSEZVWINAKDQ-LJQANCHMSA-N 0 0 515.378 7.360 50 30 KKEARN COc1ccc(-n2c(CNC(=O)c3ccc(C)cc3)ns/c2=N\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000100725647 554456569 /nfs/dbraw/zinc/45/65/69/554456569.db2.gz HKONCNVSSSMNRN-XWEAFCPHSA-N 0 0 547.684 6.168 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000100726788 554457261 /nfs/dbraw/zinc/45/72/61/554457261.db2.gz QKIKWSNOUGNHEA-QHCPKHFHSA-N 0 0 615.937 9.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000100726855 554457556 /nfs/dbraw/zinc/45/75/56/554457556.db2.gz RBTNZXSJNXNVHT-RUZDIDTESA-N 0 0 595.077 8.053 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000100728156 554458403 /nfs/dbraw/zinc/45/84/03/554458403.db2.gz LWYRJEFXHGPGPL-UHFFFAOYSA-N 0 0 583.960 7.410 50 30 KKEARN CCCCS(=O)(=O)C[C@@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000100728472 554458455 /nfs/dbraw/zinc/45/84/55/554458455.db2.gz YBUGMNPZFGCOBU-NRFANRHFSA-N 0 0 545.524 5.718 50 30 KKEARN N#Cc1c(SC[C@H](O)CS(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728663 554458726 /nfs/dbraw/zinc/45/87/26/554458726.db2.gz PCUNICMRNNUFNE-NRFANRHFSA-N 0 0 541.119 6.070 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)cc1 ZINC000100728567 554458794 /nfs/dbraw/zinc/45/87/94/554458794.db2.gz YBOWOAGFJWCTLG-UHFFFAOYSA-N 0 0 539.632 5.631 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)c(OC)c1 ZINC000100729487 554459011 /nfs/dbraw/zinc/45/90/11/554459011.db2.gz OYDZJJKOFIZUKC-JZJSGBFNSA-N 0 0 567.667 6.194 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732464 554460203 /nfs/dbraw/zinc/46/02/03/554460203.db2.gz MUZUFURXRCREBI-NIJXNBFTSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100732816 554460837 /nfs/dbraw/zinc/46/08/37/554460837.db2.gz RFTHGYVUIMIHLJ-SQDLTUCFSA-N 0 0 581.665 6.201 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000100741003 554462896 /nfs/dbraw/zinc/46/28/96/554462896.db2.gz HXMKGCVUAJZIFD-UHFFFAOYSA-N 0 0 584.629 5.539 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100760831 554467376 /nfs/dbraw/zinc/46/73/76/554467376.db2.gz RPGBQFPRNMQBNK-VHXPQNKSSA-N 0 0 542.126 6.257 50 30 KKEARN CCN(CC)c1ccc([C@H]2N(/C(CN3CCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100770976 554471273 /nfs/dbraw/zinc/47/12/73/554471273.db2.gz XLZPUMBJQLFTEU-GNEQBOCWSA-N 0 0 637.872 5.038 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(F)(F)F)C(=O)N2Cc1cccnc1 ZINC000059901616 554472648 /nfs/dbraw/zinc/47/26/48/554472648.db2.gz UFJCIRSXDKHYSF-QHCPKHFHSA-N 0 0 526.342 5.105 50 30 KKEARN O=C(Nc1ccccc1)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000100799614 554474190 /nfs/dbraw/zinc/47/41/90/554474190.db2.gz UCVJCEMFQGSJAR-FDAWAROLSA-N 0 0 536.979 6.799 50 30 KKEARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(OC)c(OC)c(OC)c1 ZINC000100808971 554474716 /nfs/dbraw/zinc/47/47/16/554474716.db2.gz VJXIYHVEQIAPBW-FDBZCLHMSA-N 0 0 527.415 5.078 50 30 KKEARN O=C(C=Cc1cc2c(cc1Br)OCCO2)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000100809369 554474842 /nfs/dbraw/zinc/47/48/42/554474842.db2.gz RCFMETRTBWYFME-RMKNXTFCSA-N 0 0 567.233 6.800 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccccc3)n2C)c1 ZINC000100813209 554475434 /nfs/dbraw/zinc/47/54/34/554475434.db2.gz PETRIQDKPCGWBP-UHFFFAOYSA-N 0 0 553.813 8.066 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 ZINC000100815840 554476106 /nfs/dbraw/zinc/47/61/06/554476106.db2.gz XASAHZUMAJZHIX-UHFFFAOYSA-N 0 0 504.737 7.635 50 30 KKEARN C=CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1OC ZINC000100815008 554476162 /nfs/dbraw/zinc/47/61/62/554476162.db2.gz MGESVPAWFJLLPS-SEPQHQSPSA-N 0 0 593.565 8.651 50 30 KKEARN C=CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100815006 554476213 /nfs/dbraw/zinc/47/62/13/554476213.db2.gz MGESVPAWFJLLPS-WROFDHFLSA-N 0 0 593.565 8.651 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000100821784 554480826 /nfs/dbraw/zinc/48/08/26/554480826.db2.gz CXWAEEPEQWQNHH-UHFFFAOYSA-N 0 0 508.434 6.432 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000100826897 554482277 /nfs/dbraw/zinc/48/22/77/554482277.db2.gz PWRQVBNNRKCPRK-MFMCTBQISA-N 0 0 557.949 9.628 50 30 KKEARN CC1(C)CC(=O)C(C(c2nc(-c3ccc(Cl)cc3)n3ccccc23)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100835006 554483443 /nfs/dbraw/zinc/48/34/43/554483443.db2.gz CHSBMKIBBGMPFC-AREMUKBSSA-N 0 0 519.041 6.514 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S ZINC000100839796 554487956 /nfs/dbraw/zinc/48/79/56/554487956.db2.gz YHNSETBOXYLEIR-XHPQRKPJSA-N 0 0 519.736 7.418 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S ZINC000100840168 554488136 /nfs/dbraw/zinc/48/81/36/554488136.db2.gz MNGTUNSODGZDFD-QOMWVZHYSA-N 0 0 519.736 7.500 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 ZINC000100841677 554489478 /nfs/dbraw/zinc/48/94/78/554489478.db2.gz KDKDIDPMCMJVEU-XLNRJJMWSA-N 0 0 547.540 6.735 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OCC)cc(C(=O)OCC)c3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000100844782 554490898 /nfs/dbraw/zinc/49/08/98/554490898.db2.gz QWABKIXPLUQGSP-UHFFFAOYSA-N 0 0 633.792 6.259 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850059 554492546 /nfs/dbraw/zinc/49/25/46/554492546.db2.gz LBGUWZIFKXSRBU-XYFQYJLHSA-N 0 0 537.656 6.589 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000100856266 554493452 /nfs/dbraw/zinc/49/34/52/554493452.db2.gz YBYGMQPHIGNXAL-XLNRJJMWSA-N 0 0 513.641 5.880 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000100871306 554498768 /nfs/dbraw/zinc/49/87/68/554498768.db2.gz JZMHFUHSJSWZSB-FCQUAONHSA-N 0 0 528.099 5.867 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000100871337 554498958 /nfs/dbraw/zinc/49/89/58/554498958.db2.gz INETUQVUNOIXAD-BWAHOGKJSA-N 0 0 507.700 7.549 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Br)c3)C2=O)SC1=S ZINC000100871981 554499956 /nfs/dbraw/zinc/49/99/56/554499956.db2.gz FLUTULYPFOAKRK-VHXPQNKSSA-N 0 0 586.577 6.366 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000100872567 554501336 /nfs/dbraw/zinc/50/13/36/554501336.db2.gz UFIFTVUDXBKTBS-JCMHNJIXSA-N 0 0 537.534 7.279 50 30 KKEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000100875064 554503439 /nfs/dbraw/zinc/50/34/39/554503439.db2.gz NSXXYNCLSFGWQQ-DQSJHHFOSA-N 0 0 521.664 5.244 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCC/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000100874797 554503483 /nfs/dbraw/zinc/50/34/83/554503483.db2.gz KCISOVCVFXABNH-NWILIBCHSA-N 0 0 542.475 9.464 50 30 KKEARN FC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]21F ZINC000060272573 554504696 /nfs/dbraw/zinc/50/46/96/554504696.db2.gz LWRNQOBXRHWPGE-MGGFGJSXSA-N 0 0 512.081 6.148 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCCC)C2=O)SC1=S ZINC000100893095 554512817 /nfs/dbraw/zinc/51/28/17/554512817.db2.gz GXAQIPSCCDNUPW-MRCUWXFGSA-N 0 0 523.562 6.918 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)NCCc3ccccc3)C2=O)SC1=S ZINC000100893122 554512850 /nfs/dbraw/zinc/51/28/50/554512850.db2.gz MAGLIJWWLVJCGP-FLWNBWAVSA-N 0 0 591.843 6.884 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000100899361 554514331 /nfs/dbraw/zinc/51/43/31/554514331.db2.gz XMLPOWZYZSHASR-HXIHYFNGSA-N 0 0 512.745 5.657 50 30 KKEARN CCc1c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2c1C(=O)CC(C)(C)C2 ZINC000100912514 554518178 /nfs/dbraw/zinc/51/81/78/554518178.db2.gz DAUMNWBSZPIACH-UHFFFAOYSA-N 0 0 533.723 6.218 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1OC ZINC000100913866 554519309 /nfs/dbraw/zinc/51/93/09/554519309.db2.gz WGMAVNGBCVPIPW-XIEYBQDHSA-N 0 0 517.651 6.168 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1OC ZINC000100915624 554519687 /nfs/dbraw/zinc/51/96/87/554519687.db2.gz ZMQPXRYBWHUJGY-HMAPJEAMSA-N 0 0 518.466 6.030 50 30 KKEARN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]1c1ccc(SC)cc1 ZINC000100918168 554520530 /nfs/dbraw/zinc/52/05/30/554520530.db2.gz AAGBCOMBXJXFMS-CEWLAPEOSA-N 0 0 530.524 5.116 50 30 KKEARN O=C1C[C@@H]2c3ccccc3CCN2C(=O)C1=CNc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000100923534 554522903 /nfs/dbraw/zinc/52/29/03/554522903.db2.gz DFGURUKOFIWPFJ-IYYMRFBLSA-N 0 0 513.903 5.941 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C(F)(F)F)c1 ZINC000100926793 554524402 /nfs/dbraw/zinc/52/44/02/554524402.db2.gz WPUBRWWOTZEIQX-UHFFFAOYSA-N 0 0 596.881 7.370 50 30 KKEARN O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 ZINC000100930366 554526825 /nfs/dbraw/zinc/52/68/25/554526825.db2.gz FEMGAESRNXJRFC-SZXQPVLSSA-N 0 0 558.801 6.461 50 30 KKEARN O=C(Oc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(=O)Oc2cccc(C(F)(F)F)c2)n1 ZINC000100932009 554527824 /nfs/dbraw/zinc/52/78/24/554527824.db2.gz ZDOWEAZMHLDJGR-UHFFFAOYSA-N 0 0 523.307 6.576 50 30 KKEARN N#CC1(C#N)[C@H](c2ccc(F)cc2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000066091569 554528254 /nfs/dbraw/zinc/52/82/54/554528254.db2.gz XLMJMYIGVIBKLG-PIGLOVQCSA-N 0 0 518.563 6.656 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000100934765 554529082 /nfs/dbraw/zinc/52/90/82/554529082.db2.gz JLLHSGWFNMJMBB-GDLZYMKVSA-N 0 0 564.645 5.510 50 30 KKEARN N#C/C(=N/Nc1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 ZINC000100936582 554530798 /nfs/dbraw/zinc/53/07/98/554530798.db2.gz PUKKDGIRVZYKDO-QQXSKIMKSA-N 0 0 530.201 5.781 50 30 KKEARN N#Cc1nc(=O)n(-c2ccccc2)c(N)c1N=Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100944664 554533373 /nfs/dbraw/zinc/53/33/73/554533373.db2.gz SGSYVYJMNLPJJO-LAGIKYCMSA-N 0 0 510.863 5.127 50 30 KKEARN CCCCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000100953022 554538147 /nfs/dbraw/zinc/53/81/47/554538147.db2.gz MYLBHIZXNHLFGB-OEAKJJBVSA-N 0 0 503.511 7.330 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575108 554540076 /nfs/dbraw/zinc/54/00/76/554540076.db2.gz UMADKHFVSXRTGY-WVZVXSGGSA-N 0 0 510.096 5.032 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575115 554540123 /nfs/dbraw/zinc/54/01/23/554540123.db2.gz UMADKHFVSXRTGY-UCORVYFPSA-N 0 0 510.096 5.032 50 30 KKEARN CCCCCCCCCCCCCCCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(N)c1 ZINC000100969474 554543337 /nfs/dbraw/zinc/54/33/37/554543337.db2.gz DSITWRGADKLGLJ-HHHXNRCGSA-N 0 0 530.819 8.511 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc(I)cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000100975731 554546819 /nfs/dbraw/zinc/54/68/19/554546819.db2.gz AJZJSINVRDADQB-NTFVMDSBSA-N 0 0 618.395 6.578 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000100994431 554550559 /nfs/dbraw/zinc/55/05/59/554550559.db2.gz USOKXKLFMVXORT-SFYCHCKNSA-N 0 0 528.055 5.739 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1N ZINC000101016741 554560442 /nfs/dbraw/zinc/56/04/42/554560442.db2.gz HPPWPRYTBSURFZ-UHFFFAOYSA-N 0 0 592.890 9.520 50 30 KKEARN CCCCCCCCSC[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000101019998 554561307 /nfs/dbraw/zinc/56/13/07/554561307.db2.gz DGFIEZZHLZDBMQ-SANMLTNESA-N 0 0 504.765 8.142 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O ZINC000101023386 554562614 /nfs/dbraw/zinc/56/26/14/554562614.db2.gz DUNOBWSOHLOHGO-XLNRJJMWSA-N 0 0 541.142 6.522 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101025547 554563570 /nfs/dbraw/zinc/56/35/70/554563570.db2.gz MKUNYHIAHIKVBM-OCBJUFRSSA-N 0 0 528.649 6.486 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101057613 554569719 /nfs/dbraw/zinc/56/97/19/554569719.db2.gz GQVPUNNDSQPNCV-FLUNURKVSA-N 0 0 596.242 5.310 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069796 554574402 /nfs/dbraw/zinc/57/44/02/554574402.db2.gz XBQQTKAEKDEPEB-JBCNATCCSA-N 0 0 505.393 5.994 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069932 554574645 /nfs/dbraw/zinc/57/46/45/554574645.db2.gz VNSDGVMOAWJQTL-YDJIHCHBSA-N 0 0 513.185 5.838 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccccc4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000101071482 554575698 /nfs/dbraw/zinc/57/56/98/554575698.db2.gz RKRSTMPFUYMMNS-JOCHJYFZSA-N 0 0 523.456 5.674 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000101072669 554576147 /nfs/dbraw/zinc/57/61/47/554576147.db2.gz KDVOCGNAOZCTKZ-CSFOGAFKSA-N 0 0 586.223 6.236 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072832 554576602 /nfs/dbraw/zinc/57/66/02/554576602.db2.gz ARURALXKMGMNSH-AYWGPLOBSA-N 0 0 563.429 5.765 50 30 KKEARN CC1=C(Cl)C(=N/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)C(Cl)=C(C)C1=O ZINC000101081009 554578690 /nfs/dbraw/zinc/57/86/90/554578690.db2.gz LSWCCJLRWQEOFL-YYADALCUSA-N 0 0 526.239 5.634 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1OC ZINC000101090656 554581965 /nfs/dbraw/zinc/58/19/65/554581965.db2.gz KVDBNZFVZUAQBR-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100183 554586880 /nfs/dbraw/zinc/58/68/80/554586880.db2.gz XXWNHTXNIFEWLG-HOGKFDNTSA-N 0 0 519.420 6.302 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101653 554638827 /nfs/dbraw/zinc/63/88/27/554638827.db2.gz LWNPYKKVOQDGHN-HFEWCJDKSA-N 0 0 519.420 6.302 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000101128558 554646850 /nfs/dbraw/zinc/64/68/50/554646850.db2.gz WGJWTCMRKFMMFT-AHNSQEAUSA-N 0 0 608.745 5.196 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1(/C2=C/C=C3CC[C@@H]([C@@H](OCOC)C(=O)[C@H]2C)C3(C)C)COC(C)(C)O1 ZINC000101142892 554654994 /nfs/dbraw/zinc/65/49/94/554654994.db2.gz YCDDVFKGDRUCLS-FAEOEQAZSA-N 0 0 540.697 5.785 50 30 KKEARN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000101149243 554657082 /nfs/dbraw/zinc/65/70/82/554657082.db2.gz GEZLBJRDZRUTOE-AHKZPQOWSA-N 0 0 577.767 6.423 50 30 in-vitro KKEARN CCCCCCCCCCCCCCCCNC(=O)CSc1nc2ccccc2c(-c2ccccc2)n1 ZINC000101158962 554659369 /nfs/dbraw/zinc/65/93/69/554659369.db2.gz YWBBKKHBIDBRSZ-UHFFFAOYSA-N 0 0 519.799 8.986 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1 ZINC000101160879 554659781 /nfs/dbraw/zinc/65/97/81/554659781.db2.gz YPNLMPZSMWRGIR-BKJRLHHMSA-N 0 0 527.584 6.513 50 30 KKEARN CCCCCCCCCCCCn1nnc([C@H](C(=O)N(C(=O)OCC)c2c(C(C)C)cccc2C(C)C)c2ccccc2)n1 ZINC000101174726 554662401 /nfs/dbraw/zinc/66/24/01/554662401.db2.gz JNIVOEJIUVBUHL-JGCGQSQUSA-N 0 0 603.852 9.162 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101184961 554668883 /nfs/dbraw/zinc/66/88/83/554668883.db2.gz BAPXNSXFTWOQKN-UHFFFAOYSA-N 0 0 552.498 7.670 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(Cl)c1 ZINC000101184998 554668903 /nfs/dbraw/zinc/66/89/03/554668903.db2.gz RHNXBJCJHPZDBN-UHFFFAOYSA-N 0 0 528.907 8.537 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2C)cc1OC ZINC000101194634 554671811 /nfs/dbraw/zinc/67/18/11/554671811.db2.gz FAJGJBUIKWZWIV-GOXGLGGOSA-N 0 0 537.656 6.160 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000101194476 554671826 /nfs/dbraw/zinc/67/18/26/554671826.db2.gz GYTHDJKLFPWATA-LYZGTLIUSA-N 0 0 537.678 5.367 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000101194477 554671844 /nfs/dbraw/zinc/67/18/44/554671844.db2.gz GYTHDJKLFPWATA-PIKZIKFNSA-N 0 0 537.678 5.367 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000101206947 554676632 /nfs/dbraw/zinc/67/66/32/554676632.db2.gz ISKVZNLUQQDZPR-UHFFFAOYSA-N 0 0 565.780 5.811 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101208778 554678071 /nfs/dbraw/zinc/67/80/71/554678071.db2.gz FZJLDKNLBUXOFV-HSZRJFAPSA-N 0 0 565.589 5.022 50 30 KKEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209539 554678249 /nfs/dbraw/zinc/67/82/49/554678249.db2.gz UINGPJMGJGQYFM-UHFFFAOYSA-N 0 0 586.523 6.094 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccc(OC)cc1 ZINC000101209246 554678278 /nfs/dbraw/zinc/67/82/78/554678278.db2.gz ARCCSVJRTOQJHW-UHFFFAOYSA-N 0 0 533.572 5.048 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccccc1Cl ZINC000101210473 554679266 /nfs/dbraw/zinc/67/92/66/554679266.db2.gz SBZZQZHGXCJMRQ-UHFFFAOYSA-N 0 0 539.850 6.766 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212834 554680014 /nfs/dbraw/zinc/68/00/14/554680014.db2.gz FEOGBZAYYTXYSW-WENCNXQZSA-N 0 0 610.545 6.712 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101212937 554680206 /nfs/dbraw/zinc/68/02/06/554680206.db2.gz IPRRXGLCVOALEK-DNOBIOAJSA-N 0 0 600.506 5.885 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101218417 554685474 /nfs/dbraw/zinc/68/54/74/554685474.db2.gz AOBFIWQULBMMTC-XRHLQHRESA-N 0 0 632.573 5.838 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218484 554685648 /nfs/dbraw/zinc/68/56/48/554685648.db2.gz NNKKXJQHHVEPOD-DEOSSOPVSA-N 0 0 531.099 5.092 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219297 554686133 /nfs/dbraw/zinc/68/61/33/554686133.db2.gz HOEAEYOCYYBWIH-UHFFFAOYSA-N 0 0 555.031 5.156 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218792 554686155 /nfs/dbraw/zinc/68/61/55/554686155.db2.gz UZHZXYRTPGKYHQ-UHFFFAOYSA-N 0 0 567.067 5.025 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000101220052 554686397 /nfs/dbraw/zinc/68/63/97/554686397.db2.gz FJRZPQCFLJBPRT-DGNXNODXSA-N 0 0 522.696 5.012 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220817 554687092 /nfs/dbraw/zinc/68/70/92/554687092.db2.gz STGXCASOUXDTNU-SLQAJWMNSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236480 554691161 /nfs/dbraw/zinc/69/11/61/554691161.db2.gz LCFMFXYXKXRSNY-RNWIMVQKSA-N 0 0 589.737 5.063 50 30 KKEARN COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C/c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC ZINC000101256440 554697050 /nfs/dbraw/zinc/69/70/50/554697050.db2.gz FDQKWGKXCBLENM-DRPBVWSQSA-N 0 0 545.632 5.290 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276771 554703330 /nfs/dbraw/zinc/70/33/30/554703330.db2.gz BWFPGFSAFLPNIV-MOBKVPTQSA-N 0 0 518.591 5.046 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277677 554703974 /nfs/dbraw/zinc/70/39/74/554703974.db2.gz MVXGKKSILZLAET-NXLSWJSLSA-N 0 0 560.672 6.035 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000101277774 554704107 /nfs/dbraw/zinc/70/41/07/554704107.db2.gz CPNBFJRSCRWHMF-HOGKFDNTSA-N 0 0 518.591 5.046 50 30 KKEARN O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ON1C(=O)CCC1=O ZINC000101277889 554704157 /nfs/dbraw/zinc/70/41/57/554704157.db2.gz PFSIGNUPTCQGSG-UHFFFAOYSA-N 0 0 589.198 5.383 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101294199 554710618 /nfs/dbraw/zinc/71/06/18/554710618.db2.gz NSBZSVPFKXPGCY-DDLGZMGRSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294528 554711122 /nfs/dbraw/zinc/71/11/22/554711122.db2.gz DTUMBHBURWWHAN-AYWGPLOBSA-N 0 0 502.617 6.111 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294271 554711269 /nfs/dbraw/zinc/71/12/69/554711269.db2.gz IYUDZHPKSBRVPZ-WKUSSTJHSA-N 0 0 568.651 6.210 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCC(=O)c4ccc(F)cc4)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000101294955 554711774 /nfs/dbraw/zinc/71/17/74/554711774.db2.gz CMMJICFLCYIEMG-JOCHJYFZSA-N 0 0 541.446 5.813 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000101310207 554717074 /nfs/dbraw/zinc/71/70/74/554717074.db2.gz CSDLTQKYWIWAJG-QBCYBHDASA-N 0 0 525.601 5.595 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310254 554717220 /nfs/dbraw/zinc/71/72/20/554717220.db2.gz WGMYAUMKMRAHFP-AMKIGSDESA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310289 554717568 /nfs/dbraw/zinc/71/75/68/554717568.db2.gz CUWHZHXKQLWLAE-GBIFRDBCSA-N 0 0 598.677 6.218 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310284 554717616 /nfs/dbraw/zinc/71/76/16/554717616.db2.gz CUWHZHXKQLWLAE-GRBPGWBESA-N 0 0 598.677 6.218 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310277 554717656 /nfs/dbraw/zinc/71/76/56/554717656.db2.gz QXKFCTJBIICVGU-PDZZUNKHSA-N 0 0 586.641 6.349 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313705 554722186 /nfs/dbraw/zinc/72/21/86/554722186.db2.gz DSCIFORAMALDTG-CIKQMSCWSA-N 0 0 560.628 5.143 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313722 554722254 /nfs/dbraw/zinc/72/22/54/554722254.db2.gz YLCDUJXVEBOAGL-SSELITHESA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318608 554725777 /nfs/dbraw/zinc/72/57/77/554725777.db2.gz ZSWWIYGNKMRIHO-UOWMXVQPSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318668 554725928 /nfs/dbraw/zinc/72/59/28/554725928.db2.gz QUHHVEIWASLWJA-UOWMXVQPSA-N 0 0 597.627 6.141 50 30 KKEARN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000101350300 554738086 /nfs/dbraw/zinc/73/80/86/554738086.db2.gz GTLQGGYBPMCDJY-IMVLJIQESA-N 0 0 506.473 6.382 50 30 KKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N\c1cccc(C(F)(F)F)c1 ZINC000101360542 554742234 /nfs/dbraw/zinc/74/22/34/554742234.db2.gz SPNVSGVOCKEVAL-ZXPTYKNPSA-N 0 0 509.553 6.915 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000101362947 554743510 /nfs/dbraw/zinc/74/35/10/554743510.db2.gz LEJBLDRJPDLRSM-NSOVKSMOSA-N 0 0 517.732 6.311 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](O)c1ccccc1 ZINC000101362767 554743555 /nfs/dbraw/zinc/74/35/55/554743555.db2.gz UTIVHWRGNKJPEC-VMPREFPWSA-N 0 0 531.759 6.620 50 30 KKEARN C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101364379 554743564 /nfs/dbraw/zinc/74/35/64/554743564.db2.gz JPNSGIUABJEMHU-UHFFFAOYSA-N 0 0 524.518 7.334 50 30 KKEARN C=CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101365126 554743787 /nfs/dbraw/zinc/74/37/87/554743787.db2.gz KJWQZOOEZVTYQA-UHFFFAOYSA-N 0 0 582.682 6.451 50 30 KKEARN C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367832 554744184 /nfs/dbraw/zinc/74/41/84/554744184.db2.gz ZHEUGYBAEYRAHU-UHFFFAOYSA-N 0 0 621.532 7.566 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376380 554746453 /nfs/dbraw/zinc/74/64/53/554746453.db2.gz NRYJBCQCHAOKQV-QFIPXVFZSA-N 0 0 538.069 5.933 50 30 KKEARN Cc1ccc(-c2csc(N=NC(C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c3ccccc3)n2)cc1 ZINC000101384119 554749048 /nfs/dbraw/zinc/74/90/48/554749048.db2.gz WANQOYPRKNDZPX-NLPPICKRSA-N 0 0 537.476 6.857 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)c3ccccc3)N2[C@@H]1c1ccccc1Cl ZINC000101389776 554753845 /nfs/dbraw/zinc/75/38/45/554753845.db2.gz VGUYBIKUINEQGW-SSOJOUAXSA-N 0 0 508.043 5.912 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)c3ccccc3)N2[C@@H]1c1ccccc1Cl ZINC000101389783 554753891 /nfs/dbraw/zinc/75/38/91/554753891.db2.gz VGUYBIKUINEQGW-CRICUBBOSA-N 0 0 508.043 5.912 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1ccc(C)cc1Cl)cn2CC ZINC000101391226 554754527 /nfs/dbraw/zinc/75/45/27/554754527.db2.gz CHLHBWGFZIMLQG-YUMHPJSZSA-N 0 0 534.151 5.754 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1ccccc1Cl ZINC000101404540 554761276 /nfs/dbraw/zinc/76/12/76/554761276.db2.gz KMCUTZBRMFUBAF-UHFFFAOYSA-N 0 0 556.711 6.349 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101422949 554767699 /nfs/dbraw/zinc/76/76/99/554767699.db2.gz GXQBIAHYKWFBGO-UHFFFAOYSA-N 0 0 528.996 5.497 50 30 KKEARN CCOc1cc(/C=C(\C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 ZINC000101477692 554782784 /nfs/dbraw/zinc/78/27/84/554782784.db2.gz GLRNVELFWKIQDZ-JFLMPSFJSA-N 0 0 570.041 7.900 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000101483984 554785094 /nfs/dbraw/zinc/78/50/94/554785094.db2.gz WHRBZXFJYZNUBM-NWWLCHBLSA-N 0 0 597.736 8.063 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000101500839 554788450 /nfs/dbraw/zinc/78/84/50/554788450.db2.gz PTYMOIWIZBUHBI-NYFMKLKXSA-N 0 0 548.082 7.641 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)N2C)cc1 ZINC000101511106 554792581 /nfs/dbraw/zinc/79/25/81/554792581.db2.gz ILLDZCCEXCEVLI-KQDKSACUSA-N 0 0 508.643 7.224 50 30 KKEARN CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)cc1 ZINC000101620165 554808826 /nfs/dbraw/zinc/80/88/26/554808826.db2.gz XQLVPFJBVJPAER-UHFFFAOYSA-N 0 0 575.694 5.249 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1I ZINC000101625350 554810999 /nfs/dbraw/zinc/81/09/99/554810999.db2.gz ZOKAUQKYUPMLGC-UBFVSLLYSA-N 0 0 527.365 5.575 50 30 KKEARN COCCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)S/C1=N/c1ccc(OC)cc1 ZINC000101633204 554812179 /nfs/dbraw/zinc/81/21/79/554812179.db2.gz LOTFLEHEXBXFHU-CCMWGVGDSA-N 0 0 542.617 5.857 50 30 KKEARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000101665268 554822413 /nfs/dbraw/zinc/82/24/13/554822413.db2.gz NCRQSCHGJPQGGM-FMCGGJTJSA-N 0 0 611.290 6.154 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)N(c4ccccc4)c4ccccc4)nnc3c2CO1 ZINC000101671868 554825374 /nfs/dbraw/zinc/82/53/74/554825374.db2.gz YNZAJXGUTALWPC-UHFFFAOYSA-N 0 0 560.683 6.653 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000101672004 554825523 /nfs/dbraw/zinc/82/55/23/554825523.db2.gz JMEZRQDRKQYTFK-DHUJRADRSA-N 0 0 601.187 9.041 50 30 KKEARN Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1 ZINC000101679402 554828249 /nfs/dbraw/zinc/82/82/49/554828249.db2.gz UJBAPWTZIYWBBL-UHFFFAOYSA-N 0 0 586.373 7.949 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(OC)c2OC)C[C@H](C(C)(C)C)CC3)cc1 ZINC000101725885 554832747 /nfs/dbraw/zinc/83/27/47/554832747.db2.gz RBXFHEGKSPZFMB-BSAWEUQCSA-N 0 0 548.705 7.096 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3OC)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000101725902 554832774 /nfs/dbraw/zinc/83/27/74/554832774.db2.gz XIGRMYSUICYHGW-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1)CC(C)C ZINC000101836644 554841932 /nfs/dbraw/zinc/84/19/32/554841932.db2.gz AQYGMCXPWMCRRT-UHFFFAOYSA-N 0 0 614.713 8.586 50 30 KKEARN CCOc1ccc(Nc2sc(C(=O)Nc3ccccc3C#N)c(N)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000101857324 554843681 /nfs/dbraw/zinc/84/36/81/554843681.db2.gz YBTOBTJZXXUECI-DEOSSOPVSA-N 0 0 532.025 5.646 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 ZINC000102035938 554869048 /nfs/dbraw/zinc/86/90/48/554869048.db2.gz QGURROJJJCXAPP-YIECNSLDSA-N 0 0 565.607 5.154 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21 ZINC000102035945 554869124 /nfs/dbraw/zinc/86/91/24/554869124.db2.gz QGURROJJJCXAPP-NAIWQIQESA-N 0 0 565.607 5.154 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(Cl)cc2)cc(OC)c1OC ZINC000102051331 554871385 /nfs/dbraw/zinc/87/13/85/554871385.db2.gz ZQTFMRRVVNKSRN-QYBDOPJKSA-N 0 0 558.034 5.803 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)C2)cc1OC ZINC000102051602 554871502 /nfs/dbraw/zinc/87/15/02/554871502.db2.gz XWLNMAHALBTTON-CHJDUVSTSA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)C2)cc1OC ZINC000102051610 554871530 /nfs/dbraw/zinc/87/15/30/554871530.db2.gz XWLNMAHALBTTON-SMSORMJASA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2cc4c(cc2[C@H]3c2ccc(Cl)c(Cl)c2)OCO4)cc1OC ZINC000102054432 554872431 /nfs/dbraw/zinc/87/24/31/554872431.db2.gz FBROOFYUKJGYTC-CHAGWJKLSA-N 0 0 524.400 6.698 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102055160 554872565 /nfs/dbraw/zinc/87/25/65/554872565.db2.gz LLZFROOGVPLWNQ-ZHRRBRCNSA-N 0 0 523.536 6.084 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102055167 554872650 /nfs/dbraw/zinc/87/26/50/554872650.db2.gz LLZFROOGVPLWNQ-OPAMFIHVSA-N 0 0 523.536 6.084 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000102055183 554872674 /nfs/dbraw/zinc/87/26/74/554872674.db2.gz WIMHSFNUWYEQSQ-BCHFMIIMSA-N 0 0 561.560 6.160 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000102055200 554872681 /nfs/dbraw/zinc/87/26/81/554872681.db2.gz WIMHSFNUWYEQSQ-AFMDSPMNSA-N 0 0 561.560 6.160 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076483 554874564 /nfs/dbraw/zinc/87/45/64/554874564.db2.gz SVXQBIOFEBWELY-ZLYDLHQSSA-N 0 0 501.579 5.650 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076601 554874857 /nfs/dbraw/zinc/87/48/57/554874857.db2.gz RAEKSADRALQULQ-XTUFCYCQSA-N 0 0 589.113 7.324 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000102134716 554887570 /nfs/dbraw/zinc/88/75/70/554887570.db2.gz CERBOIIBKSGJJK-SFHVURJKSA-N 0 0 555.802 6.378 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ccccc43)N(CCc3ccccc3)C1=O)S2 ZINC000102143637 554888913 /nfs/dbraw/zinc/88/89/13/554888913.db2.gz AIQKSNRQSPDGDZ-XTUVAWEBSA-N 0 0 523.683 7.065 50 30 KKEARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)[C@@H]1CCCC(=Cc2ccco2)C1=O ZINC000102159593 554890104 /nfs/dbraw/zinc/89/01/04/554890104.db2.gz LNWFOZSQLNZJSJ-FINIEXEPSA-N 0 0 524.400 5.733 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ccccc43)N(c3ccc(O)cc3)C1=O)S2 ZINC000102158681 554890154 /nfs/dbraw/zinc/89/01/54/554890154.db2.gz GJDAIHXSBICGQU-BZUZNSEFSA-N 0 0 511.628 6.733 50 30 KKEARN C[C@@H](NC(=O)/C(C#N)=c1/s/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000102260621 554905178 /nfs/dbraw/zinc/90/51/78/554905178.db2.gz KKDTZQYHBFWITR-DSERSTRUSA-N 0 0 585.607 5.558 50 30 KKEARN Cc1c(C)c(C(=O)OCc2ccccc2)[nH]c1/C=C1\CC/C(=C/c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C)C1=O ZINC000102266383 554905401 /nfs/dbraw/zinc/90/54/01/554905401.db2.gz IFEIUZKJECJWFS-HJTNQMAYSA-N 0 0 562.666 7.120 50 30 KKEARN C=C1[C@@H](C/C=C(\C)CCC2OCCO2)CC[C@H](C)[C@@]1(C)CC[C@H](C(=O)OC(C)(C)C)P(=O)(OCC)OCC ZINC000102319186 554911542 /nfs/dbraw/zinc/91/15/42/554911542.db2.gz GXVATSAVAREUFY-PURCFVQSSA-N 0 0 556.721 7.841 50 30 KKEARN C=C1CC[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C ZINC000102318147 554911554 /nfs/dbraw/zinc/91/15/54/554911554.db2.gz ROPOVFIXBPKJSE-ZWXTXWETSA-N 0 0 576.865 11.173 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000102336319 554912857 /nfs/dbraw/zinc/91/28/57/554912857.db2.gz KXRJSSADARZKCG-OTKPCVMRSA-N 0 0 549.664 5.814 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102368572 554915661 /nfs/dbraw/zinc/91/56/61/554915661.db2.gz KSGWOYLKFKNJCZ-ZHHPLPSFSA-N 0 0 507.384 5.253 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102368568 554915736 /nfs/dbraw/zinc/91/57/36/554915736.db2.gz KSGWOYLKFKNJCZ-AYWGPLOBSA-N 0 0 507.384 5.253 50 30 KKEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102368243 554915739 /nfs/dbraw/zinc/91/57/39/554915739.db2.gz NTKLXNZVCBJUFY-NXLSWJSLSA-N 0 0 511.405 6.106 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C ZINC000102377668 554918220 /nfs/dbraw/zinc/91/82/20/554918220.db2.gz BGKXHIJNDOOSLW-NPJIAGGLSA-N 0 0 547.479 5.233 50 30 KKEARN CCCCCCCCCOc1cccc([C@H](Nc2ccccc2O)P(=O)(Oc2ccccc2)Oc2ccccc2)c1 ZINC000102399898 554919441 /nfs/dbraw/zinc/91/94/41/554919441.db2.gz ACHHANXRHMKDQY-UUWRZZSWSA-N 0 0 573.670 9.983 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OC)c(OCc4ccccc4)c3)C2)cc1OC ZINC000102411121 554923509 /nfs/dbraw/zinc/92/35/09/554923509.db2.gz FZSAXAZZLWDYFN-YKGWIAGDSA-N 0 0 538.604 5.299 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102432537 554927343 /nfs/dbraw/zinc/92/73/43/554927343.db2.gz ALBFQCFCZDGHQE-UUALVTFQSA-N 0 0 516.594 5.295 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102451668 554932286 /nfs/dbraw/zinc/93/22/86/554932286.db2.gz FQUJSHACFUXOLJ-POTDNYQPSA-N 0 0 577.851 6.025 50 30 KKEARN CCOc1cc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc(Br)c1OC(C)C ZINC000102452700 554933218 /nfs/dbraw/zinc/93/32/18/554933218.db2.gz XLDZXBILRLZLBC-AREMUKBSSA-N 0 0 546.465 7.265 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102485045 554937879 /nfs/dbraw/zinc/93/78/79/554937879.db2.gz DTMGKUOOFOYWBL-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102491408 554939351 /nfs/dbraw/zinc/93/93/51/554939351.db2.gz PDJFTSHUCOSDGS-NPJIAGGLSA-N 0 0 508.018 5.571 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102493150 554939621 /nfs/dbraw/zinc/93/96/21/554939621.db2.gz LURQGGUXUZDHOQ-VIDUVWHZSA-N 0 0 545.635 6.253 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102498996 554941560 /nfs/dbraw/zinc/94/15/60/554941560.db2.gz IODHWQYGKVXAJQ-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102500469 554942900 /nfs/dbraw/zinc/94/29/00/554942900.db2.gz TXWDFIFCPDTCAA-IUKMQXEJSA-N 0 0 535.438 5.953 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102501732 554943385 /nfs/dbraw/zinc/94/33/85/554943385.db2.gz WJKPQBCGTCRNEG-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102502725 554943665 /nfs/dbraw/zinc/94/36/65/554943665.db2.gz KWOQPAOUNJQGLP-QBCYBHDASA-N 0 0 527.617 5.819 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102505238 554944235 /nfs/dbraw/zinc/94/42/35/554944235.db2.gz QTMYWBGRMDIQDA-WGGXKBPPSA-N 0 0 527.661 6.330 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102504229 554944379 /nfs/dbraw/zinc/94/43/79/554944379.db2.gz OUVHUODCAOBMON-AHPONGEQSA-N 0 0 548.639 6.983 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509465 554945768 /nfs/dbraw/zinc/94/57/68/554945768.db2.gz NWAZQLYGUUTXHU-AYWGPLOBSA-N 0 0 534.565 5.396 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102515008 554947623 /nfs/dbraw/zinc/94/76/23/554947623.db2.gz FSIPXBWSDATHEI-IUKMQXEJSA-N 0 0 525.432 6.498 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102516826 554948221 /nfs/dbraw/zinc/94/82/21/554948221.db2.gz XACQNWLBRJEQQC-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102517740 554948679 /nfs/dbraw/zinc/94/86/79/554948679.db2.gz YCCORVBWCAKOED-BUANBSPESA-N 0 0 500.576 5.557 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522350 554949875 /nfs/dbraw/zinc/94/98/75/554949875.db2.gz MVSVTSZBEUKEAR-UUALVTFQSA-N 0 0 614.676 5.769 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102524067 554950902 /nfs/dbraw/zinc/95/09/02/554950902.db2.gz BXWOXQDHBZTYLR-NXLSWJSLSA-N 0 0 502.567 6.159 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102527122 554952530 /nfs/dbraw/zinc/95/25/30/554952530.db2.gz YSVGMYYKAPYGGU-ZZIWUOEGSA-N 0 0 535.021 6.210 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(OC)cc1 ZINC000102527277 554952568 /nfs/dbraw/zinc/95/25/68/554952568.db2.gz XWTFMIMXKRFWTL-ZORLYMSLSA-N 0 0 612.649 9.361 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531086 554953867 /nfs/dbraw/zinc/95/38/67/554953867.db2.gz KUZKDNGBJSDSIU-IUKMQXEJSA-N 0 0 530.602 5.729 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102530767 554953889 /nfs/dbraw/zinc/95/38/89/554953889.db2.gz HOZMRXMKEQBKPS-DFXXOVSGSA-N 0 0 506.558 5.813 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102532421 554954400 /nfs/dbraw/zinc/95/44/00/554954400.db2.gz HQUFSXRBMCOSMU-QZDFLZESSA-N 0 0 531.608 6.467 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102544202 554958455 /nfs/dbraw/zinc/95/84/55/554958455.db2.gz XZGGZDVIOWDSBP-RIIRCPHSSA-N 0 0 554.668 6.652 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102545235 554958743 /nfs/dbraw/zinc/95/87/43/554958743.db2.gz DWXADWUZUJCYGA-OUDMSJPASA-N 0 0 540.641 6.262 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102545641 554959038 /nfs/dbraw/zinc/95/90/38/554959038.db2.gz GNNFARCFDRFMIP-KWBQTAPJSA-N 0 0 575.484 6.625 50 30 KKEARN CCCCCCCCCCCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000102551206 554961908 /nfs/dbraw/zinc/96/19/08/554961908.db2.gz OCJBYROIEDTESB-SZXJBNFZSA-N 0 0 571.762 7.837 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102552151 554962539 /nfs/dbraw/zinc/96/25/39/554962539.db2.gz WWZHAVGWAWFVKL-KFLIVHAJSA-N 0 0 577.633 6.057 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102554069 554963375 /nfs/dbraw/zinc/96/33/75/554963375.db2.gz MFIOCYLUGPBFDX-IZSGBISHSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102553972 554963492 /nfs/dbraw/zinc/96/34/92/554963492.db2.gz IDKQRYIGJSPLJL-GSYBUTJLSA-N 0 0 556.659 5.995 50 30 KKEARN CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc31)O2 ZINC000102555539 554964023 /nfs/dbraw/zinc/96/40/23/554964023.db2.gz CZTBWMCKZGQGNS-RWYGWLOXSA-N 0 0 588.880 12.063 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102556526 554964668 /nfs/dbraw/zinc/96/46/68/554964668.db2.gz KPTNLZOWTILMRI-RIEKNRFYSA-N 0 0 612.748 7.522 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102556083 554964730 /nfs/dbraw/zinc/96/47/30/554964730.db2.gz HIKLZJMTTJPYPL-ZDZPXDOOSA-N 0 0 558.612 5.359 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102559720 554967075 /nfs/dbraw/zinc/96/70/75/554967075.db2.gz MVWGCPWRJWCBBB-CZNAVJSXSA-N 0 0 526.614 6.126 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562117 554968656 /nfs/dbraw/zinc/96/86/56/554968656.db2.gz JDKJQRWSMZONRS-NXLSVDECSA-N 0 0 633.166 7.723 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102562914 554968932 /nfs/dbraw/zinc/96/89/32/554968932.db2.gz HIHZUBYQRGJXSN-SVNRFNMRSA-N 0 0 570.667 6.490 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102563568 554969110 /nfs/dbraw/zinc/96/91/10/554969110.db2.gz FRCSDTSAPPYJJD-LHKMDIPOSA-N 0 0 584.694 6.824 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102563525 554969150 /nfs/dbraw/zinc/96/91/50/554969150.db2.gz PAABTJQOSWTHBD-HAQIDCBSSA-N 0 0 530.577 5.784 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102605990 554978754 /nfs/dbraw/zinc/97/87/54/554978754.db2.gz SXINAUJAQVTOLW-BFLOGMOSSA-N 0 0 524.598 5.672 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610859 554980854 /nfs/dbraw/zinc/98/08/54/554980854.db2.gz CLGRYCDXHRLMKM-ONQGDUAMSA-N 0 0 572.639 5.881 50 30 KKEARN CC[C@H](C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1)c1ccccc1 ZINC000102611824 554981694 /nfs/dbraw/zinc/98/16/94/554981694.db2.gz LCFQZBLVWLLNDB-PMERELPUSA-N 0 0 547.655 5.595 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102611783 554981755 /nfs/dbraw/zinc/98/17/55/554981755.db2.gz YJDFPBYARIURRS-UUALVTFQSA-N 0 0 514.578 5.044 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622240 554987367 /nfs/dbraw/zinc/98/73/67/554987367.db2.gz VUODOMBOSOMISA-RUZDIDTESA-N 0 0 574.655 5.849 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102640471 554990494 /nfs/dbraw/zinc/99/04/94/554990494.db2.gz ASIDBJZYENHVAF-VXJPNWOUSA-N 0 0 545.632 6.049 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CCC)CCC)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102646450 554992724 /nfs/dbraw/zinc/99/27/24/554992724.db2.gz QIXPUZJAPDLDTD-SHQCIBLASA-N 0 0 568.640 5.314 50 30 KKEARN Cc1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)Nc4cccc(C#N)c4)CC3)c12 ZINC000102649252 554994798 /nfs/dbraw/zinc/99/47/98/554994798.db2.gz XBPVOEKJHZWYRV-UHFFFAOYSA-N 0 0 542.647 5.331 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000102651243 554995905 /nfs/dbraw/zinc/99/59/05/554995905.db2.gz HRNSAYMVACIWRJ-WJOKGBTCSA-N 0 0 596.708 9.266 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102651263 554995968 /nfs/dbraw/zinc/99/59/68/554995968.db2.gz XZGGZDVIOWDSBP-DDLGZMGRSA-N 0 0 554.668 6.652 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651014 554995982 /nfs/dbraw/zinc/99/59/82/554995982.db2.gz PJNOVRZOJRHLLL-UUALVTFQSA-N 0 0 614.676 5.856 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102651705 554996068 /nfs/dbraw/zinc/99/60/68/554996068.db2.gz QMJJHSVWTXLMMS-WRPQUVRJSA-N 0 0 517.006 6.208 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651831 554996145 /nfs/dbraw/zinc/99/61/45/554996145.db2.gz VQNKEPRGKMLWSR-CNVPOXKWSA-N 0 0 612.748 7.440 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651757 554996163 /nfs/dbraw/zinc/99/61/63/554996163.db2.gz RVHBXHZTVNQCNK-CJJGVWJISA-N 0 0 558.612 5.491 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102652422 554996559 /nfs/dbraw/zinc/99/65/59/554996559.db2.gz UFNUIJGCQJZVHC-TXTDGAROSA-N 0 0 570.667 6.571 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000102653122 554997184 /nfs/dbraw/zinc/99/71/84/554997184.db2.gz SANVYHBHTLXTHM-OGHRCCBNSA-N 0 0 512.587 5.645 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102653479 554997207 /nfs/dbraw/zinc/99/72/07/554997207.db2.gz DWCMJODTUSFBCY-UZGIXAGNSA-N 0 0 574.658 7.347 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102654022 554997373 /nfs/dbraw/zinc/99/73/73/554997373.db2.gz MDRHBJYEDPEMCW-TXTDGAROSA-N 0 0 544.604 5.052 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102655750 554998615 /nfs/dbraw/zinc/99/86/15/554998615.db2.gz ASSWTIKYSWKHEJ-XKNZNLGKSA-N 0 0 583.666 5.774 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102655901 554998650 /nfs/dbraw/zinc/99/86/50/554998650.db2.gz UXGRPSNYHSLLJZ-XXAHXYPMSA-N 0 0 604.684 6.834 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102655960 554998754 /nfs/dbraw/zinc/99/87/54/554998754.db2.gz KUWBIPVPBQHEKA-QNIVJUIWSA-N 0 0 512.587 5.563 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000102672601 555002858 /nfs/dbraw/zinc/00/28/58/555002858.db2.gz XOENQRKVIVWAII-NWWLCHBLSA-N 0 0 597.736 8.904 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674403 555003504 /nfs/dbraw/zinc/00/35/04/555003504.db2.gz SXINAUJAQVTOLW-PLWHFILJSA-N 0 0 524.598 5.672 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000102687704 555007243 /nfs/dbraw/zinc/00/72/43/555007243.db2.gz CIFNFQOJHWIFEG-POURPWNDSA-N 0 0 505.058 7.940 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102690271 555008070 /nfs/dbraw/zinc/00/80/70/555008070.db2.gz AVBKNRREHSGCDE-NXLSWJSLSA-N 0 0 519.022 6.537 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102691136 555008286 /nfs/dbraw/zinc/00/82/86/555008286.db2.gz ILMMBKFOOREJHO-IUKMQXEJSA-N 0 0 514.603 6.028 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102691452 555008659 /nfs/dbraw/zinc/00/86/59/555008659.db2.gz JZCWFGBQCFVYJA-ZHHPLPSFSA-N 0 0 515.547 5.456 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccs3)cc2)c1 ZINC000102693339 555009175 /nfs/dbraw/zinc/00/91/75/555009175.db2.gz XPTORNUFISDIEU-CJJGVWJISA-N 0 0 513.619 5.344 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694662 555009738 /nfs/dbraw/zinc/00/97/38/555009738.db2.gz QVRLYDBQUUSADW-ZHHPLPSFSA-N 0 0 535.021 6.156 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102698467 555012175 /nfs/dbraw/zinc/01/21/75/555012175.db2.gz GTQTYBSQQSIGNM-DFXXOVSGSA-N 0 0 525.580 5.422 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699170 555012458 /nfs/dbraw/zinc/01/24/58/555012458.db2.gz NMSXRWANWOSLSQ-SBXHHDGASA-N 0 0 518.566 5.641 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102701262 555013106 /nfs/dbraw/zinc/01/31/06/555013106.db2.gz VLUPLJZIPMPMDN-QKJBWNOYSA-N 0 0 514.603 5.865 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704961 555014360 /nfs/dbraw/zinc/01/43/60/555014360.db2.gz QXWZMJUCTOQPQB-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102705871 555014637 /nfs/dbraw/zinc/01/46/37/555014637.db2.gz AQYBSVUVKJMOFN-COUQNMRISA-N 0 0 504.995 6.201 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102706136 555014676 /nfs/dbraw/zinc/01/46/76/555014676.db2.gz KKOHCGAXQOCPFV-GAPOMRBKSA-N 0 0 528.630 6.337 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102709142 555015824 /nfs/dbraw/zinc/01/58/24/555015824.db2.gz TVSAYPXTZGWGEC-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708948 555015878 /nfs/dbraw/zinc/01/58/78/555015878.db2.gz SVIVMSHLEJRRNW-IUKMQXEJSA-N 0 0 542.613 5.670 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102710135 555016405 /nfs/dbraw/zinc/01/64/05/555016405.db2.gz BTAWAUNUOGWUFA-ZHHPLPSFSA-N 0 0 515.547 5.456 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102710139 555016465 /nfs/dbraw/zinc/01/64/65/555016465.db2.gz BTAWAUNUOGWUFA-AYWGPLOBSA-N 0 0 515.547 5.456 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102712621 555017332 /nfs/dbraw/zinc/01/73/32/555017332.db2.gz YQTHUKVBPRETLI-CZNAVJSXSA-N 0 0 540.443 6.339 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102713367 555017730 /nfs/dbraw/zinc/01/77/30/555017730.db2.gz HNYGVFNSMCPWFM-MPFGFTFXSA-N 0 0 543.620 6.385 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715015 555018323 /nfs/dbraw/zinc/01/83/23/555018323.db2.gz MISBRRRXGJIDEY-UUALVTFQSA-N 0 0 510.546 6.190 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102715653 555018665 /nfs/dbraw/zinc/01/86/65/555018665.db2.gz GAECCLWPIJRYMC-NPJIAGGLSA-N 0 0 530.602 5.565 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719216 555019583 /nfs/dbraw/zinc/01/95/83/555019583.db2.gz MAVHYCQQGALTDE-AYWGPLOBSA-N 0 0 515.547 5.402 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102718947 555019647 /nfs/dbraw/zinc/01/96/47/555019647.db2.gz IUGXMXAOEDRMEL-NXLSWJSLSA-N 0 0 546.601 5.265 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102718767 555019753 /nfs/dbraw/zinc/01/97/53/555019753.db2.gz BEIAUMFHTPAQJS-NXLSWJSLSA-N 0 0 528.586 5.335 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102729597 555023209 /nfs/dbraw/zinc/02/32/09/555023209.db2.gz CNEWTBKKDQSXID-AYWGPLOBSA-N 0 0 504.633 6.335 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102734297 555024620 /nfs/dbraw/zinc/02/46/20/555024620.db2.gz WYAYWFLWUQXKEH-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735215 555024953 /nfs/dbraw/zinc/02/49/53/555024953.db2.gz RSPJHUBADATCRH-ZCCBWQDPSA-N 0 0 545.635 6.253 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735224 555025018 /nfs/dbraw/zinc/02/50/18/555025018.db2.gz SMVONXWOVPVOLR-VDBNUPDGSA-N 0 0 531.608 6.211 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735282 555025329 /nfs/dbraw/zinc/02/53/29/555025329.db2.gz INPOPVAHNSDVKQ-ICQXDZJJSA-N 0 0 532.596 5.606 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735284 555025356 /nfs/dbraw/zinc/02/53/56/555025356.db2.gz INPOPVAHNSDVKQ-WENCHWOGSA-N 0 0 532.596 5.606 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735481 555025426 /nfs/dbraw/zinc/02/54/26/555025426.db2.gz PQDRAEMNTKPHRV-NXLSVDECSA-N 0 0 609.103 7.478 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735480 555025597 /nfs/dbraw/zinc/02/55/97/555025597.db2.gz PQDRAEMNTKPHRV-VDGASQMCSA-N 0 0 609.103 7.478 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736997 555026372 /nfs/dbraw/zinc/02/63/72/555026372.db2.gz GODSRMBHFPUGCQ-XLNMUAQOSA-N 0 0 518.978 5.605 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccncc3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102748158 555042155 /nfs/dbraw/zinc/04/21/55/555042155.db2.gz KNGMWQZKSYPDJC-AREMUKBSSA-N 0 0 502.640 5.216 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102748791 555043069 /nfs/dbraw/zinc/04/30/69/555043069.db2.gz OCGXTSYOYHEAMQ-SANMLTNESA-N 0 0 502.640 5.216 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770972 555058996 /nfs/dbraw/zinc/05/89/96/555058996.db2.gz GVNXIBLUDSRLRG-ZLYDLHQSSA-N 0 0 583.735 6.904 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770981 555059012 /nfs/dbraw/zinc/05/90/12/555059012.db2.gz RXJGTPYEQMADRS-JVJOXMINSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770950 555059066 /nfs/dbraw/zinc/05/90/66/555059066.db2.gz RANMIEHHWOVNED-YFVVEFNMSA-N 0 0 597.762 7.212 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771187 555059660 /nfs/dbraw/zinc/05/96/60/555059660.db2.gz ZOZYALPVZXONLJ-RKQXULEVSA-N 0 0 512.587 5.568 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771137 555059674 /nfs/dbraw/zinc/05/96/74/555059674.db2.gz PHGPWOXZHLYLPG-AIKCTZLLSA-N 0 0 527.558 5.463 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771329 555060245 /nfs/dbraw/zinc/06/02/45/555060245.db2.gz ADPNXSATEHZAJK-ZTLVYLBESA-N 0 0 531.033 6.516 50 30 KKEARN CC1(C)CC(=O)C(c2cc(-c3ccccc3)n(Cc3ccc(Cl)cc3)c2-c2ccccc2)=C(NCc2ccc(Cl)cc2)C1 ZINC000102785028 555067446 /nfs/dbraw/zinc/06/74/46/555067446.db2.gz KDJVTOHJEBZBSF-UHFFFAOYSA-N 0 0 605.609 10.067 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C/C=C1\S/C(=N\c2ccc(Br)cc2)N(CC)C1=O ZINC000102786086 555067715 /nfs/dbraw/zinc/06/77/15/555067715.db2.gz QFSUTPWDISZMPM-MBPKMLONSA-N 0 0 572.572 8.284 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000102790329 555068989 /nfs/dbraw/zinc/06/89/89/555068989.db2.gz DYIBOCZBSARDDP-XCZPVHLTSA-N 0 0 519.439 7.043 50 30 KKEARN N#Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000102794905 555071219 /nfs/dbraw/zinc/07/12/19/555071219.db2.gz DTEWHCSTWQVEHD-AREMUKBSSA-N 0 0 564.029 5.495 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102797355 555071828 /nfs/dbraw/zinc/07/18/28/555071828.db2.gz HAOITUCLHLQHAM-DFXXOVSGSA-N 0 0 506.558 5.895 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)[C@H](C)CC ZINC000102832739 555079320 /nfs/dbraw/zinc/07/93/20/555079320.db2.gz FBGXHUPVILWQMG-MUUNZHRXSA-N 0 0 526.831 8.605 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102857209 555088555 /nfs/dbraw/zinc/08/85/55/555088555.db2.gz QNGGJZCPXLKLLQ-KFLIVHAJSA-N 0 0 546.796 8.656 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102860500 555090539 /nfs/dbraw/zinc/09/05/39/555090539.db2.gz UHLJKHLCDYEBOF-HOGKFDNTSA-N 0 0 500.382 5.101 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102862645 555092597 /nfs/dbraw/zinc/09/25/97/555092597.db2.gz WHSZFBLXJDPQRR-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102862998 555092971 /nfs/dbraw/zinc/09/29/71/555092971.db2.gz JXSWATBLUHLBDL-HOGKFDNTSA-N 0 0 544.833 5.210 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102864224 555093883 /nfs/dbraw/zinc/09/38/83/555093883.db2.gz CHJWHIKBQHEMLN-KQAPWQHSSA-N 0 0 515.610 5.123 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864645 555094259 /nfs/dbraw/zinc/09/42/59/555094259.db2.gz INGHHEZUPMHRJC-HFEWCJDKSA-N 0 0 502.548 5.227 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102864726 555094484 /nfs/dbraw/zinc/09/44/84/555094484.db2.gz XREPYOSVWPJKDS-ONQGDUAMSA-N 0 0 546.620 5.217 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866847 555096027 /nfs/dbraw/zinc/09/60/27/555096027.db2.gz JFNDIMOFRWZJEN-CGKJMNDRSA-N 0 0 528.586 5.269 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102867321 555096614 /nfs/dbraw/zinc/09/66/14/555096614.db2.gz INOQUTBQBYJUQU-NPJIAGGLSA-N 0 0 528.586 5.401 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867163 555096630 /nfs/dbraw/zinc/09/66/30/555096630.db2.gz UELHJSVIOGKXAE-LLAWDOGUSA-N 0 0 556.640 6.043 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869143 555098485 /nfs/dbraw/zinc/09/84/85/555098485.db2.gz PWOVAFUHCJHMPF-HAQIDCBSSA-N 0 0 514.578 5.948 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102869213 555098625 /nfs/dbraw/zinc/09/86/25/555098625.db2.gz HWNZGBVQPKPOLO-MIOXIQPJSA-N 0 0 543.616 5.310 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869296 555098855 /nfs/dbraw/zinc/09/88/55/555098855.db2.gz XRVNUZRLASPJSR-HIAXOSCDSA-N 0 0 524.642 6.425 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870033 555099680 /nfs/dbraw/zinc/09/96/80/555099680.db2.gz DINGZXPGZDTWAZ-WBMUNJTESA-N 0 0 540.597 5.341 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869909 555099752 /nfs/dbraw/zinc/09/97/52/555099752.db2.gz FALOVJUBMUJRHH-LXIOPLLASA-N 0 0 546.576 5.402 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870059 555100119 /nfs/dbraw/zinc/10/01/19/555100119.db2.gz BGPDUHYKNOFSDC-BFLOGMOSSA-N 0 0 590.698 6.003 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870200 555100381 /nfs/dbraw/zinc/10/03/81/555100381.db2.gz KWCDCQNRJQBABT-NYFCFKJUSA-N 0 0 602.684 6.819 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102870841 555101210 /nfs/dbraw/zinc/10/12/10/555101210.db2.gz XVJHRXTXENMZIX-CJJGVWJISA-N 0 0 544.629 5.901 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102874569 555104558 /nfs/dbraw/zinc/10/45/58/555104558.db2.gz JIIMQUALVLAFEQ-ZZIWUOEGSA-N 0 0 530.602 5.565 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102876602 555106239 /nfs/dbraw/zinc/10/62/39/555106239.db2.gz MZKHIGQIOJDGRN-DFXXOVSGSA-N 0 0 559.449 6.898 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102876280 555106281 /nfs/dbraw/zinc/10/62/81/555106281.db2.gz DHNGWQFQJIFSJM-PGVNHDJNSA-N 0 0 504.589 5.388 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000102877216 555106989 /nfs/dbraw/zinc/10/69/89/555106989.db2.gz ZMZTVCMPYOKSEH-QSEAXJEQSA-N 0 0 564.638 5.545 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102878123 555107184 /nfs/dbraw/zinc/10/71/84/555107184.db2.gz PIEGKVGIQATTTD-CTOLJPTJSA-N 0 0 593.805 8.615 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102877993 555107194 /nfs/dbraw/zinc/10/71/94/555107194.db2.gz KSUDEAQMIUKZID-MNOIWJKESA-N 0 0 511.618 6.201 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102878127 555107549 /nfs/dbraw/zinc/10/75/49/555107549.db2.gz PIEGKVGIQATTTD-GNEQBOCWSA-N 0 0 593.805 8.615 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879161 555108485 /nfs/dbraw/zinc/10/84/85/555108485.db2.gz NGVWQUBAOVDDIY-SBXHHDGASA-N 0 0 546.601 5.265 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102879906 555108937 /nfs/dbraw/zinc/10/89/37/555108937.db2.gz BCIPCRVCFLIZSM-QJGFIUGVSA-N 0 0 527.617 5.472 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102880761 555109471 /nfs/dbraw/zinc/10/94/71/555109471.db2.gz XJVLEWUUKQLWHB-NXLSWJSLSA-N 0 0 500.595 6.668 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102881303 555109830 /nfs/dbraw/zinc/10/98/30/555109830.db2.gz CWMBCHQJCCEBNU-BUANBSPESA-N 0 0 535.021 6.210 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883491 555112072 /nfs/dbraw/zinc/11/20/72/555112072.db2.gz SHHLDHWGMTTXOK-UDAHOJRSSA-N 0 0 542.613 5.577 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884672 555114218 /nfs/dbraw/zinc/11/42/18/555114218.db2.gz VJRUVOHCRTVLLJ-ZZIWUOEGSA-N 0 0 543.557 5.219 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884815 555114403 /nfs/dbraw/zinc/11/44/03/555114403.db2.gz UQDIHFJFKMIMQQ-QBCYBHDASA-N 0 0 568.695 7.123 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102885199 555115091 /nfs/dbraw/zinc/11/50/91/555115091.db2.gz ZGMHIIHZQHWRAY-MIOXIQPJSA-N 0 0 527.617 5.691 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102885599 555115795 /nfs/dbraw/zinc/11/57/95/555115795.db2.gz VEVBPCRYYSRXRY-UUALVTFQSA-N 0 0 514.578 5.044 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102885865 555116144 /nfs/dbraw/zinc/11/61/44/555116144.db2.gz HLCJFOVBYPQAGZ-AHPONGEQSA-N 0 0 562.751 8.806 50 30 KKEARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000102885769 555116155 /nfs/dbraw/zinc/11/61/55/555116155.db2.gz XAAHMJFNHFNGNH-DICHSLLOSA-N 0 0 538.692 5.028 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887291 555118817 /nfs/dbraw/zinc/11/88/17/555118817.db2.gz UQRFWAPZBXUMTG-NYFCFKJUSA-N 0 0 600.693 6.442 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887331 555118839 /nfs/dbraw/zinc/11/88/39/555118839.db2.gz XFDOTNDIYJSVSS-OGHRCCBNSA-N 0 0 592.670 5.375 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102887451 555119262 /nfs/dbraw/zinc/11/92/62/555119262.db2.gz ZMONTDBKYYBJCT-DFXXOVSGSA-N 0 0 547.604 5.640 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887526 555119541 /nfs/dbraw/zinc/11/95/41/555119541.db2.gz IMBQIJCISUWLOK-YYXRCVDTSA-N 0 0 558.612 5.272 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887563 555119610 /nfs/dbraw/zinc/11/96/10/555119610.db2.gz BCISEXAPTLXODK-YSJQHINGSA-N 0 0 628.747 7.078 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102887540 555119641 /nfs/dbraw/zinc/11/96/41/555119641.db2.gz LNSVVXHWZIPLSQ-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102887825 555120231 /nfs/dbraw/zinc/12/02/31/555120231.db2.gz KMRDKHVYUPLKNA-YREDKMEYSA-N 0 0 537.653 5.436 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102888134 555120768 /nfs/dbraw/zinc/12/07/68/555120768.db2.gz UWQPFFXHYFDPDP-MIOXIQPJSA-N 0 0 520.585 5.600 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888078 555120809 /nfs/dbraw/zinc/12/08/09/555120809.db2.gz RULBUNOIEMKQIE-JFTLGNCFSA-N 0 0 528.586 5.263 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888826 555122432 /nfs/dbraw/zinc/12/24/32/555122432.db2.gz ZJTAPFRWBWCSOF-DFXXOVSGSA-N 0 0 586.666 6.271 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888952 555122893 /nfs/dbraw/zinc/12/28/93/555122893.db2.gz CHQCVWBAMOCWKO-QMDVFYPZSA-N 0 0 584.694 6.824 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102889681 555124303 /nfs/dbraw/zinc/12/43/03/555124303.db2.gz IJBNXKVFNQTNGO-ONQGDUAMSA-N 0 0 582.678 6.314 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889824 555124416 /nfs/dbraw/zinc/12/44/16/555124416.db2.gz PHRDDWPSSRJDNT-WGQAXHKASA-N 0 0 516.550 5.394 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890131 555124967 /nfs/dbraw/zinc/12/49/67/555124967.db2.gz WVUJLQSISKMJIO-XKNZNLGKSA-N 0 0 568.695 6.942 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000102890560 555125965 /nfs/dbraw/zinc/12/59/65/555125965.db2.gz NFAPDPFRHQOYFS-AYWGPLOBSA-N 0 0 534.634 5.742 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102890864 555126549 /nfs/dbraw/zinc/12/65/49/555126549.db2.gz FEWVCGGDLQKRFT-TXTDGAROSA-N 0 0 513.590 5.301 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891094 555126877 /nfs/dbraw/zinc/12/68/77/555126877.db2.gz AIVIMROTDBANQX-XKNZNLGKSA-N 0 0 554.668 6.768 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892396 555128707 /nfs/dbraw/zinc/12/87/07/555128707.db2.gz OEQHJPVULFMRLI-XTODBVILSA-N 0 0 621.509 6.340 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892995 555129628 /nfs/dbraw/zinc/12/96/28/555129628.db2.gz YXDGQACNXSIEDZ-WYNCGZBVSA-N 0 0 610.688 6.157 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893491 555131045 /nfs/dbraw/zinc/13/10/45/555131045.db2.gz XRBQOEPPYRKIIV-TVKWNQJWSA-N 0 0 573.690 5.686 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000102893772 555131680 /nfs/dbraw/zinc/13/16/80/555131680.db2.gz RGNGYNSXQNAWDN-UHFFFAOYSA-N 0 0 590.975 6.934 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102894168 555132027 /nfs/dbraw/zinc/13/20/27/555132027.db2.gz GYHBRMFWTZADKJ-AYWGPLOBSA-N 0 0 502.523 5.141 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894269 555132318 /nfs/dbraw/zinc/13/23/18/555132318.db2.gz ZAAPLIVPEWJEMQ-QBTYMPIYSA-N 0 0 540.641 6.378 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894867 555133213 /nfs/dbraw/zinc/13/32/13/555133213.db2.gz NNHQTLOKAKBSEC-UUALVTFQSA-N 0 0 572.639 5.881 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894813 555133247 /nfs/dbraw/zinc/13/32/47/555133247.db2.gz FUMLLSFZGQGDBO-CNVPOXKWSA-N 0 0 612.748 7.440 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102895208 555133741 /nfs/dbraw/zinc/13/37/41/555133741.db2.gz WUFNMBKRGDBSRU-YFVVEFNMSA-N 0 0 512.606 5.596 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102895109 555133748 /nfs/dbraw/zinc/13/37/48/555133748.db2.gz CPQMUEKBRGUSDX-AHPONGEQSA-N 0 0 532.640 6.714 50 30 KKEARN CCCCCCCCN1C(=O)N(c2cccc3ccccc32)[C@H](N(O)C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000102895185 555133797 /nfs/dbraw/zinc/13/37/97/555133797.db2.gz ULVFHSZJTVNNJB-WJOKGBTCSA-N 0 0 552.719 8.624 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895648 555134896 /nfs/dbraw/zinc/13/48/96/555134896.db2.gz LMQXEFVJGNISHN-HYVCFMKYSA-N 0 0 584.694 6.824 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895765 555135247 /nfs/dbraw/zinc/13/52/47/555135247.db2.gz XRHPHPNQKUAQRI-VEZPTTSMSA-N 0 0 630.719 6.526 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896157 555135764 /nfs/dbraw/zinc/13/57/64/555135764.db2.gz AWBHLLMJZTUOKZ-IZSGBISHSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896162 555135777 /nfs/dbraw/zinc/13/57/77/555135777.db2.gz AWBHLLMJZTUOKZ-VDGASQMCSA-N 0 0 614.720 6.832 50 30 KKEARN O=C(N(c1ccccc1)c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102897886 555138249 /nfs/dbraw/zinc/13/82/49/555138249.db2.gz BTYZGEVCWUHREK-UHFFFAOYSA-N 0 0 565.329 8.243 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102899308 555138892 /nfs/dbraw/zinc/13/88/92/555138892.db2.gz MFWFIHNKYWZJBQ-MNOIWJKESA-N 0 0 559.663 5.296 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102899666 555139365 /nfs/dbraw/zinc/13/93/65/555139365.db2.gz PPPNHNGLHRVRMV-WNQPQFFOSA-N 0 0 510.615 6.117 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899742 555139409 /nfs/dbraw/zinc/13/94/09/555139409.db2.gz BNINGGZXPYQADM-SMOAUKQDSA-N 0 0 628.747 7.078 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899731 555139462 /nfs/dbraw/zinc/13/94/62/555139462.db2.gz MONFEMFFBKCPMI-XXAHXYPMSA-N 0 0 628.747 7.222 50 30 KKEARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102909320 555142253 /nfs/dbraw/zinc/14/22/53/555142253.db2.gz VZOMCAJYMHOTIZ-SANMLTNESA-N 0 0 573.026 5.843 50 30 KKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)c1C#N ZINC000102910023 555142438 /nfs/dbraw/zinc/14/24/38/555142438.db2.gz FZEFJZQOMVUQGS-UHFFFAOYSA-N 0 0 588.546 5.680 50 30 KKEARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1C#N ZINC000102909599 555142486 /nfs/dbraw/zinc/14/24/86/555142486.db2.gz XOMPZVNSTPZUCD-QHCPKHFHSA-N 0 0 547.084 5.788 50 30 KKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)c1C#N ZINC000102910010 555142489 /nfs/dbraw/zinc/14/24/89/555142489.db2.gz VOSHTMNGXQQQCO-UHFFFAOYSA-N 0 0 557.079 6.558 50 30 KKEARN CCCCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000102922376 555147383 /nfs/dbraw/zinc/14/73/83/555147383.db2.gz VJBMBYVONLRDQK-UHFFFAOYSA-N 0 0 584.888 6.826 50 30 KKEARN COc1ccc(CN=C(Nc2ccc(SC(F)F)cc2)SCC(=O)Nc2cccc(C)c2)cc1OC ZINC000102925177 555149444 /nfs/dbraw/zinc/14/94/44/555149444.db2.gz UGVRFSIPFRWXDR-UHFFFAOYSA-N 0 0 531.650 6.476 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102926136 555150428 /nfs/dbraw/zinc/15/04/28/555150428.db2.gz BHRIFGDMDBYRHW-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102926417 555150876 /nfs/dbraw/zinc/15/08/76/555150876.db2.gz NJJRWEJWDNYZJP-NPJIAGGLSA-N 0 0 512.631 6.537 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102926575 555151128 /nfs/dbraw/zinc/15/11/28/555151128.db2.gz SWLUDBSUGORAAX-KXDYMIPJSA-N 0 0 523.626 5.046 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102926645 555151144 /nfs/dbraw/zinc/15/11/44/555151144.db2.gz HRKRZZSUBZGERU-WGGXKBPPSA-N 0 0 595.523 6.025 50 30 KKEARN N#Cc1c(N(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)c2cc(Cl)ccc2[N+](=O)[O-])oc(-c2ccco2)c1-c1ccco1 ZINC000102927910 555152858 /nfs/dbraw/zinc/15/28/58/555152858.db2.gz FNZMLEDXJGCTHD-UHFFFAOYSA-N 0 0 607.318 7.282 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102928272 555153533 /nfs/dbraw/zinc/15/35/33/555153533.db2.gz UCXHVGBFWUMFAY-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102929283 555154988 /nfs/dbraw/zinc/15/49/88/555154988.db2.gz FRPLFMHWVWRSEH-WBMUNJTESA-N 0 0 564.432 5.151 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929561 555155506 /nfs/dbraw/zinc/15/55/06/555155506.db2.gz RFGCWRKWZAGKMH-MRJHHRETSA-N 0 0 504.608 5.552 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl ZINC000102930074 555156442 /nfs/dbraw/zinc/15/64/42/555156442.db2.gz VXTLQVBUDLIZSN-QMMFTLRZSA-N 0 0 617.068 10.006 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102930810 555157582 /nfs/dbraw/zinc/15/75/82/555157582.db2.gz KOIDEAPNQPVZOU-AHPONGEQSA-N 0 0 548.639 6.983 50 30 KKEARN COc1ccc2[nH]c(/C=N/N=C3/c4ccccc4C(=O)[C@H]3C(=O)C(c3ccccc3)c3ccccc3)cc2c1 ZINC000102930800 555157641 /nfs/dbraw/zinc/15/76/41/555157641.db2.gz OGCRHWISODDLNY-OICNIALBSA-N 0 0 511.581 6.213 50 30 KKEARN Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102930911 555157976 /nfs/dbraw/zinc/15/79/76/555157976.db2.gz CTDDHRITAUXCGU-XMMPIXPASA-N 0 0 529.006 7.120 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102932513 555160043 /nfs/dbraw/zinc/16/00/43/555160043.db2.gz PIXXAZXRDKIKOQ-NGAXIMOQSA-N 0 0 523.626 5.046 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102936902 555164760 /nfs/dbraw/zinc/16/47/60/555164760.db2.gz XTCHJVALTQCPLO-RQZHXJHFSA-N 0 0 571.523 6.612 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccccc1C(F)(F)F)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940301 555168848 /nfs/dbraw/zinc/16/88/48/555168848.db2.gz TUXFUJGPUUZUGZ-KDXMTYKHSA-N 0 0 559.508 5.607 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940360 555168951 /nfs/dbraw/zinc/16/89/51/555168951.db2.gz GUYHUMNZFJZZKY-QNGWXLTQSA-N 0 0 560.401 5.895 50 30 KKEARN CCCCCCCC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000102991423 555192436 /nfs/dbraw/zinc/19/24/36/555192436.db2.gz IKCCAXDBLIIAOD-SANMLTNESA-N 0 0 509.543 7.128 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)ccc1Cl ZINC000102991893 555192727 /nfs/dbraw/zinc/19/27/27/555192727.db2.gz FSVKVUJHSDOKTE-UHFFFAOYSA-N 0 0 618.155 7.063 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccccc2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1 ZINC000102992001 555192944 /nfs/dbraw/zinc/19/29/44/555192944.db2.gz DSHXPGMQYIBFBW-UHFFFAOYSA-N 0 0 555.785 5.468 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102995740 555195187 /nfs/dbraw/zinc/19/51/87/555195187.db2.gz IERBDRWGHNNHAY-HHHXNRCGSA-N 0 0 551.131 7.223 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000102998130 555197447 /nfs/dbraw/zinc/19/74/47/555197447.db2.gz YJLDNFZDMZUNPL-QHCPKHFHSA-N 0 0 513.107 6.665 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000102998510 555197664 /nfs/dbraw/zinc/19/76/64/555197664.db2.gz XPBIXLKPYJVAOF-UHFFFAOYSA-N 0 0 506.647 6.777 50 30 KKEARN C=CCSc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1-c1cc(OC)ccc1OC ZINC000102998979 555198434 /nfs/dbraw/zinc/19/84/34/555198434.db2.gz XAVCGJHXUKCSRD-UHFFFAOYSA-N 0 0 532.647 5.421 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SCCCN32)cc1 ZINC000103000077 555199782 /nfs/dbraw/zinc/19/97/82/555199782.db2.gz LPSVGNSVTNXEBP-HKBQPEDESA-N 0 0 560.808 8.308 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C1CC1 ZINC000103000598 555200254 /nfs/dbraw/zinc/20/02/54/555200254.db2.gz IDZGTGZMRMHTKH-UHFFFAOYSA-N 0 0 575.813 8.570 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000103000638 555200498 /nfs/dbraw/zinc/20/04/98/555200498.db2.gz SQTSYKNUAYZRCI-UHFFFAOYSA-N 0 0 599.832 7.200 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2 ZINC000103000619 555200522 /nfs/dbraw/zinc/20/05/22/555200522.db2.gz OKZFXADBOPUPBE-UHFFFAOYSA-N 0 0 625.851 6.707 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCC)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000103000698 555200799 /nfs/dbraw/zinc/20/07/99/555200799.db2.gz LDLCBRFCJLIZSY-MGBGTMOVSA-N 0 0 575.838 9.175 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000103002879 555201941 /nfs/dbraw/zinc/20/19/41/555201941.db2.gz FNGIYQTXQXXRPM-VEZPTTSMSA-N 0 0 583.169 9.151 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1Cl ZINC000103004295 555202541 /nfs/dbraw/zinc/20/25/41/555202541.db2.gz BPWVPRXHSLTNNB-UHFFFAOYSA-N 0 0 522.940 7.926 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000103004538 555202774 /nfs/dbraw/zinc/20/27/74/555202774.db2.gz PGLZSGILEHLIPD-UHFFFAOYSA-N 0 0 582.984 5.544 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000103009573 555205405 /nfs/dbraw/zinc/20/54/05/555205405.db2.gz QURIHYQLUHGYCO-UHFFFAOYSA-N 0 0 560.503 5.346 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008731 555205424 /nfs/dbraw/zinc/20/54/24/555205424.db2.gz PZCUADRAEPAXCY-KJYTXNCISA-N 0 0 619.089 6.015 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010664 555205968 /nfs/dbraw/zinc/20/59/68/555205968.db2.gz SMIBKTSINAPKCD-QLBJFCOMSA-N 0 0 543.019 5.087 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011131 555206247 /nfs/dbraw/zinc/20/62/47/555206247.db2.gz SCAHLAWCZOTXAT-WUMKDDEVSA-N 0 0 539.719 5.964 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103011698 555206443 /nfs/dbraw/zinc/20/64/43/555206443.db2.gz KDQLWFKNMHCOCZ-BIYCFNCWSA-N 0 0 619.089 6.015 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103015025 555208713 /nfs/dbraw/zinc/20/87/13/555208713.db2.gz OFWZCJZZDVQQKV-NQHRYMMQSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103015603 555208928 /nfs/dbraw/zinc/20/89/28/555208928.db2.gz TYQCXWAIUXIFPV-FTBPSBKWSA-N 0 0 560.647 5.414 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1 ZINC000103015680 555209159 /nfs/dbraw/zinc/20/91/59/555209159.db2.gz ACAVPKBYBOWVBO-UHFFFAOYSA-N 0 0 562.113 5.004 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)CC2)cc1 ZINC000103016934 555209910 /nfs/dbraw/zinc/20/99/10/555209910.db2.gz RWSUZUVQOGCPOM-UHFFFAOYSA-N 0 0 576.703 9.077 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2F)c1 ZINC000103018986 555210809 /nfs/dbraw/zinc/21/08/09/555210809.db2.gz DBSLAMPHZCEAKU-UHFFFAOYSA-N 0 0 583.468 6.997 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103020058 555211499 /nfs/dbraw/zinc/21/14/99/555211499.db2.gz QAWYUOCVJHAAAT-MVYHEMRASA-N 0 0 534.565 5.506 50 30 KKEARN COc1ccc(CCN(Cc2sccc2C)C(=O)CN(CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000103020308 555211502 /nfs/dbraw/zinc/21/15/02/555211502.db2.gz ZRYANOIASLQVST-UHFFFAOYSA-N 0 0 548.709 5.707 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103021877 555213129 /nfs/dbraw/zinc/21/31/29/555213129.db2.gz YTTIWACZDOHBJN-YPCDYVTLSA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022035 555213327 /nfs/dbraw/zinc/21/33/27/555213327.db2.gz QGAAAXAWSQVQFT-JVAFGIKQSA-N 0 0 533.577 5.326 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022717 555213611 /nfs/dbraw/zinc/21/36/11/555213611.db2.gz KBVIOFPXHFHKMA-HIRWGAFWSA-N 0 0 564.059 6.149 50 30 KKEARN CCCCCCCCc1ccc(C(=O)N2CCCN(Cc3cc(=O)c(OCc4cccc(OC)c4)co3)CC2)cc1 ZINC000103025487 555215638 /nfs/dbraw/zinc/21/56/38/555215638.db2.gz VNNKYJMGSGGOLO-UHFFFAOYSA-N 0 0 560.735 6.479 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000103026558 555216309 /nfs/dbraw/zinc/21/63/09/555216309.db2.gz NZVSAHKKUMNPHM-YZMCFSJESA-N 0 0 627.685 7.554 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(CCCCCC)cc1 ZINC000103028985 555218097 /nfs/dbraw/zinc/21/80/97/555218097.db2.gz SMQBTENXPCMWFA-UHFFFAOYSA-N 0 0 568.689 6.912 50 30 KKEARN N#Cc1cccc(C(=O)N2CCN(C[C@@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000103030504 555218588 /nfs/dbraw/zinc/21/85/88/555218588.db2.gz SITRLGHTRFNHQE-AREMUKBSSA-N 0 0 527.974 5.946 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)cc1 ZINC000103060390 555241335 /nfs/dbraw/zinc/24/13/35/555241335.db2.gz IKEMPVIXWDMQFA-UHFFFAOYSA-N 0 0 500.679 8.823 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103064422 555244893 /nfs/dbraw/zinc/24/48/93/555244893.db2.gz HCKJGQRSXFKILW-UHFFFAOYSA-N 0 0 593.800 6.044 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1csc(-c2cccc(Br)c2)n1 ZINC000103064273 555244918 /nfs/dbraw/zinc/24/49/18/555244918.db2.gz AWFGMHRCUPWOQP-UHFFFAOYSA-N 0 0 555.567 7.519 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1S[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)CCCC3 ZINC000103069446 555250123 /nfs/dbraw/zinc/25/01/23/555250123.db2.gz UEDZEIYRESKWLU-HSZRJFAPSA-N 0 0 590.092 7.667 50 30 KKEARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)C/C2=C/c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000103078203 555256799 /nfs/dbraw/zinc/25/67/99/555256799.db2.gz YQKOIRKFCOKMIQ-HCFXHLRJSA-N 0 0 584.160 7.925 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1Cl ZINC000103078264 555256846 /nfs/dbraw/zinc/25/68/46/555256846.db2.gz YAVPLOCHSZBLFH-YZZKKUAISA-N 0 0 553.508 5.472 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)ccc1Cl ZINC000103078271 555257007 /nfs/dbraw/zinc/25/70/07/555257007.db2.gz RXKHYSJRXMMTEQ-UHFFFAOYSA-N 0 0 547.460 5.787 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)c(F)c(F)c(F)c1F)n2Cc1ccc(C(F)(F)F)cc1 ZINC000103079633 555258107 /nfs/dbraw/zinc/25/81/07/555258107.db2.gz ARMRUPNXOQRGIG-UHFFFAOYSA-N 0 0 560.466 7.268 50 30 KKEARN C[C@H](OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2)C(=O)Nc1ccccc1C#N ZINC000103081662 555260419 /nfs/dbraw/zinc/26/04/19/555260419.db2.gz YGCFLHVXMQRMNL-HJHGFDQJSA-N 0 0 517.541 5.506 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@@H]1C=C[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000103082381 555261466 /nfs/dbraw/zinc/26/14/66/555261466.db2.gz YXVZDQQXGHDFQF-LCCAYYTGSA-N 0 0 523.832 6.148 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000103093450 555272317 /nfs/dbraw/zinc/27/23/17/555272317.db2.gz MYXMTSYLWFCGLV-UHFFFAOYSA-N 0 0 523.517 5.552 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000103098701 555275930 /nfs/dbraw/zinc/27/59/30/555275930.db2.gz MZLZJGMHZRVASL-UHFFFAOYSA-N 0 0 591.237 5.938 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000103098707 555275956 /nfs/dbraw/zinc/27/59/56/555275956.db2.gz NACNVEHGUGWZKD-XMMPIXPASA-N 0 0 542.016 6.491 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103104161 555281628 /nfs/dbraw/zinc/28/16/28/555281628.db2.gz QPLCCAWYRDMBHC-GDLZYMKVSA-N 0 0 563.529 6.181 50 30 KKEARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(c2ccccc2)C1=O ZINC000103120251 555290080 /nfs/dbraw/zinc/29/00/80/555290080.db2.gz JYRMHZPKOMGANR-UHFFFAOYSA-O 0 0 534.423 5.375 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nnc1-c1ccc(Cl)cc1 ZINC000103124589 555292455 /nfs/dbraw/zinc/29/24/55/555292455.db2.gz QVOWTPGCXVVTBF-UHFFFAOYSA-N 0 0 536.123 5.337 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000103129507 555298251 /nfs/dbraw/zinc/29/82/51/555298251.db2.gz FKXFAIVAZFLUCC-TUMTZTIRSA-N 0 0 560.691 5.255 50 30 KKEARN COc1ccc(N2C(=O)C(c3c(C(C)C)[n-]n(-c4ccc(Cl)c(Cl)c4)c3=O)=C([n+]3ccccc3)C2=O)cc1 ZINC000103129959 555298684 /nfs/dbraw/zinc/29/86/84/555298684.db2.gz JRVXERJEPGYRLN-UHFFFAOYSA-O 0 0 550.422 5.246 50 30 KKEARN COc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000103136099 555306066 /nfs/dbraw/zinc/30/60/66/555306066.db2.gz NIGJBKTUVNYOGW-UHFFFAOYSA-N 0 0 581.374 6.703 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103136888 555307003 /nfs/dbraw/zinc/30/70/03/555307003.db2.gz UKERYAFCRIQAKC-MYYYXRDXSA-N 0 0 556.562 6.802 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000103142161 555311502 /nfs/dbraw/zinc/31/15/02/555311502.db2.gz QXQPGTCKYLRFRC-NDEPHWFRSA-N 0 0 602.506 8.401 50 30 KKEARN CCOC(=O)c1c(/N=C\c2cc(Br)ccc2OC(=O)c2cccc(Cl)c2)sc2c1CCC2 ZINC000103147070 555314071 /nfs/dbraw/zinc/31/40/71/555314071.db2.gz AFKLUXCYBSOMDI-WKIKZPBSSA-N 0 0 532.843 6.799 50 30 KKEARN Cc1nc(-c2cccc(C(F)(F)F)c2)nc(N2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C ZINC000103192433 555333896 /nfs/dbraw/zinc/33/38/96/555333896.db2.gz KMNBKOLHTXZPAC-UHFFFAOYSA-N 0 0 576.463 6.779 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCCn3ccnc3)C[C@@H](OCc3ccccc3C#N)[C@@H]2O1 ZINC000103360441 555364957 /nfs/dbraw/zinc/36/49/57/555364957.db2.gz XUIUVWSCQWBWBW-FATKCUQPSA-N 0 0 612.649 5.135 50 30 KKEARN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1 ZINC000103437002 555418614 /nfs/dbraw/zinc/41/86/14/555418614.db2.gz UOFQBNRXINKISE-UHFFFAOYSA-N 0 0 554.510 6.213 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103532282 555432524 /nfs/dbraw/zinc/43/25/24/555432524.db2.gz SBSWJWUNUHQIFJ-KCQQKVKYSA-N 0 0 620.492 6.877 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000103534323 555434431 /nfs/dbraw/zinc/43/44/31/555434431.db2.gz PWRQVBNNRKCPRK-PQHLKRTFSA-N 0 0 557.949 9.628 50 30 KKEARN COc1ccc(C2=CS[C@]3(C=C(c4ccccc4)OC(C(=O)c4ccccc4)=C3C(=O)c3ccccc3)S2)cc1 ZINC000103541696 555438738 /nfs/dbraw/zinc/43/87/38/555438738.db2.gz FSDDMIKUNXDOJI-UUWRZZSWSA-N 0 0 560.696 8.261 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103545835 555440413 /nfs/dbraw/zinc/44/04/13/555440413.db2.gz WLWQXDYCYJYDDP-IBHPWDLASA-N 0 0 559.021 5.871 50 30 KKEARN O=C1C(Nc2cccc(Cl)c2)=C(n2nnc3ccccc32)C(=O)C(Nc2cccc(Cl)c2)=C1n1nnc2ccccc21 ZINC000103558584 555447264 /nfs/dbraw/zinc/44/72/64/555447264.db2.gz AJCYXKHOFJZKAG-UHFFFAOYSA-N 0 0 593.434 5.896 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000103586012 555451892 /nfs/dbraw/zinc/45/18/92/555451892.db2.gz QXGOLVVPKUFPDK-PXLXIMEGSA-N 0 0 528.061 8.504 50 30 KKEARN Brc1ccccc1/C=N/[C@H](c1ccccc1)[C@H](/N=C\c1ccccc1Br)c1ccccc1 ZINC000103658868 555461733 /nfs/dbraw/zinc/46/17/33/555461733.db2.gz GKQASVQELPPBOH-BGJAOZTKSA-N 0 0 546.306 8.232 50 30 KKEARN COc1ccc(NC(=NCCc2ccc(OC)c(OC)c2)S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000103694538 555463545 /nfs/dbraw/zinc/46/35/45/555463545.db2.gz SBRXGUOOCMHBLB-VWLOTQADSA-N 0 0 554.068 5.251 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000103710540 555464616 /nfs/dbraw/zinc/46/46/16/555464616.db2.gz QEKNZNAEZOBAIM-FHNIQUFNSA-N 0 0 569.731 7.539 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/C(C)=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000103732617 555465868 /nfs/dbraw/zinc/46/58/68/555465868.db2.gz HVSOHNRNWPZFBW-FBCYGCLPSA-N 0 0 544.254 5.840 50 30 KKEARN C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771381 562678150 /nfs/dbraw/zinc/67/81/50/562678150.db2.gz HTSYJHTYNZATLA-HJTUWXLRSA-N 0 0 566.827 7.513 50 30 KKEARN C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049803745 562686207 /nfs/dbraw/zinc/68/62/07/562686207.db2.gz BCOHYHMWEWDVKW-WHONGPPWSA-N 0 0 580.854 7.821 50 30 KKEARN Fc1c(F)c(F)c(-c2c3ccc(n3)c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c3ccc2[nH]3)c(F)c1F ZINC000150339360 562843136 /nfs/dbraw/zinc/84/31/36/562843136.db2.gz FIBUNQYQSFXNRM-UHFFFAOYSA-N 0 0 796.493 11.891 50 30 KKEARN COc1ccccc1N=C1S/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000252624872 562881764 /nfs/dbraw/zinc/88/17/64/562881764.db2.gz PWXXTXNYMAJUPS-PGZZEBRESA-N 0 0 604.776 7.566 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100735442 571361154 /nfs/dbraw/zinc/36/11/54/571361154.db2.gz RSIJXDUPSVRKHF-HSZRJFAPSA-N 0 0 548.617 5.293 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000103846612 571363471 /nfs/dbraw/zinc/36/34/71/571363471.db2.gz VUUSQANSAQMDFJ-SVVBGHPLSA-N 0 0 529.662 5.586 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O ZINC000103848616 571363906 /nfs/dbraw/zinc/36/39/06/571363906.db2.gz ORDVUMGWGPOALP-YDZHTSKRSA-N 0 0 588.896 7.087 50 30 KKEARN Cc1ccc(N2C(=S)N=C(N[C@H](/C=C\c3ccc(Cl)cc3Cl)C(C)(C)C)C23CCCCC3)cc1Cl ZINC000103866923 571368148 /nfs/dbraw/zinc/36/81/48/571368148.db2.gz OTUZZEMOOCHUSR-MBHJOXKWSA-N 0 0 549.011 8.879 50 30 KKEARN CCCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3c4ccccc4Oc4ccccc43)C2=O)cc1 ZINC000103885526 571368614 /nfs/dbraw/zinc/36/86/14/571368614.db2.gz SMTGBWWSLHHJQC-IADYIPOJSA-N 0 0 543.754 8.913 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/CCCCCCCCCCCCCCCCCC ZINC000103884430 571368643 /nfs/dbraw/zinc/36/86/43/571368643.db2.gz JNWHNFSESPYHDL-ZQMSHFFZSA-N 0 0 555.898 9.777 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000103928955 571370139 /nfs/dbraw/zinc/37/01/39/571370139.db2.gz MMRBKJIBNCKXCD-AYWGPLOBSA-N 0 0 548.661 5.869 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000104011182 571371091 /nfs/dbraw/zinc/37/10/91/571371091.db2.gz FQUJSHACFUXOLJ-KEVKATSASA-N 0 0 577.851 6.025 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)cc1OC ZINC000105548456 571407553 /nfs/dbraw/zinc/40/75/53/571407553.db2.gz DSMJCBGWQRCKMW-UWJYYQICSA-N 0 0 531.560 5.625 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5csc6c5CCCC6)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877450 571409139 /nfs/dbraw/zinc/40/91/39/571409139.db2.gz UDBOTRYHRCSBNV-WIKKKCEJSA-N 0 0 588.942 10.080 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccc6ccccc56)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877457 571409223 /nfs/dbraw/zinc/40/92/23/571409223.db2.gz UNJNXOBPRSHCNU-SVHFOWBNSA-N 0 0 578.881 10.293 50 30 KKEARN CCCCCCC[C@H](CCCCCCCc1cccc(OC[C@H]2CO2)c1)c1ccc(OC[C@@H]2CO2)cc1 ZINC000106408464 571412486 /nfs/dbraw/zinc/41/24/86/571412486.db2.gz GAHSOUKDFQCWJX-LFVIRUEMSA-N 0 0 508.743 8.269 50 30 KKEARN CC(C)(C)c1cc(Br)c(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503993 571412703 /nfs/dbraw/zinc/41/27/03/571412703.db2.gz GKAZTXGRLZTVSO-LKAOFKDASA-N 0 0 592.416 8.067 50 30 KKEARN CC(C)(C)c1cc(Br)c(O)c(/C=N/[C@H]2CCCC[C@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503995 571412712 /nfs/dbraw/zinc/41/27/12/571412712.db2.gz GKAZTXGRLZTVSO-FPIGSHBCSA-N 0 0 592.416 8.067 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H](O)c1ccccc1 ZINC000109834776 571430040 /nfs/dbraw/zinc/43/00/40/571430040.db2.gz XUIXORWVXAHDKN-KKLWWLSJSA-N 0 0 619.824 7.523 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(Sc3ccc([N+](=O)[O-])cc3C=O)c2C#N)cc(OC)c1OC ZINC000113481651 571439092 /nfs/dbraw/zinc/43/90/92/571439092.db2.gz CTNLGOXZJPLJPN-UHFFFAOYSA-N 0 0 527.558 6.185 50 30 KKEARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)sc3n2)c1 ZINC000113482288 571439145 /nfs/dbraw/zinc/43/91/45/571439145.db2.gz RUDSYCFVCUZKRU-GIJQJNRQSA-N 0 0 547.680 7.826 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc(N)c(C#N)c(-c5cccs5)c4c3N)c2)cc1 ZINC000113482447 571439158 /nfs/dbraw/zinc/43/91/58/571439158.db2.gz HDAQUPFEMUVGOU-JLHYYAGUSA-N 0 0 563.708 7.333 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4C[C@H](C)C[C@H](C)C4)C3=O)cc2)cc1OC ZINC000113560889 571440103 /nfs/dbraw/zinc/44/01/03/571440103.db2.gz OUKFKXODRKIYMN-JMCMXXRQSA-N 0 0 552.718 5.228 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C1=O)C[C@H](c1ccccc1)CC2 ZINC000113561576 571440218 /nfs/dbraw/zinc/44/02/18/571440218.db2.gz FKQNAYNHSDBEKJ-LYZGTLIUSA-N 0 0 578.719 6.960 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](SC(=NC#N)Nc3ccccc3Cl)C1=O)C[C@H](C)CC2 ZINC000113561785 571440299 /nfs/dbraw/zinc/44/02/99/571440299.db2.gz DZPCSXCCUMCZFR-ACJLOTCBSA-N 0 0 531.059 5.017 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000113562964 571440462 /nfs/dbraw/zinc/44/04/62/571440462.db2.gz MPJUNUWTLHDPCM-WUKNDPDISA-N 0 0 575.690 8.562 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113563256 571440523 /nfs/dbraw/zinc/44/05/23/571440523.db2.gz PEMDZOXUHNYOKS-QYNZQUMISA-N 0 0 585.754 8.673 50 30 KKEARN COc1cccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)c1 ZINC000113563334 571440635 /nfs/dbraw/zinc/44/06/35/571440635.db2.gz UVEOANDNXIOWLA-BVEXFFHSSA-N 0 0 585.751 5.059 50 30 KKEARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1)CC[C@@H](c1ccccc1)C3 ZINC000113564570 571440836 /nfs/dbraw/zinc/44/08/36/571440836.db2.gz TYPADFIPUHZSGA-UACNQURRSA-N 0 0 535.694 7.361 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000113564584 571440881 /nfs/dbraw/zinc/44/08/81/571440881.db2.gz DJDGXJAZMDEWCN-ISLYRVAYSA-N 0 0 571.727 8.731 50 30 KKEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C[N+](=O)[O-])[C@H](C(C)N=Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000118913396 571443627 /nfs/dbraw/zinc/44/36/27/571443627.db2.gz UCEHKNHPQSKYBD-JZELCSSESA-N 0 0 597.669 6.304 50 30 KKEARN C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@H]7CC[C@@]56C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118915878 571443973 /nfs/dbraw/zinc/44/39/73/571443973.db2.gz SUDAZYBPONYEQT-VFRHYPCESA-N 0 0 596.900 9.339 50 30 KKEARN C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@H]7CC[C@]56C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118915876 571444023 /nfs/dbraw/zinc/44/40/23/571444023.db2.gz SUDAZYBPONYEQT-ZYYZWPCZSA-N 0 0 596.900 9.339 50 30 KKEARN CCCCC1CC2(C1)CC(COS(=O)(=O)c1ccc(C)cc1)(COS(=O)(=O)c1ccc(C)cc1)C2 ZINC000135647689 571448713 /nfs/dbraw/zinc/44/87/13/571448713.db2.gz BNFQAFBJZFYFQL-UHFFFAOYSA-N 0 0 520.713 5.781 50 30 KKEARN O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 ZINC000137034252 571450036 /nfs/dbraw/zinc/45/00/36/571450036.db2.gz MMACRYSIZAFFDZ-NXKIGICWSA-N 0 0 614.628 6.473 50 30 KKEARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000137931036 571450843 /nfs/dbraw/zinc/45/08/43/571450843.db2.gz RVQGPYWMGTXOPQ-RBZQAINGSA-N 0 0 504.011 5.512 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150340131 571457749 /nfs/dbraw/zinc/45/77/49/571457749.db2.gz XCSZRHBSQLYKOK-UISOVIGQSA-N 0 0 842.136 8.707 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150341450 571458171 /nfs/dbraw/zinc/45/81/71/571458171.db2.gz YUFOZPVITJRTPY-UHFFFAOYSA-N 0 0 928.161 10.887 50 30 KKEARN CC(=O)c1ccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4ccc(C(C)=O)cc4)C(=O)C(=O)C5C(C)C)c(O)c32)cc1 ZINC000150341869 571458347 /nfs/dbraw/zinc/45/83/47/571458347.db2.gz TXQYWGDKCCXXID-NBDJWBGESA-N 0 0 752.864 9.708 50 30 biogenic,in-vitro KKEARN C=C(CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150342563 571458698 /nfs/dbraw/zinc/45/86/98/571458698.db2.gz FJDNRGZXGFXROS-UHFFFAOYSA-N 0 0 966.191 10.953 50 30 KKEARN Clc1ccccc1COc1c(Br)cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1Br ZINC000150342755 571458754 /nfs/dbraw/zinc/45/87/54/571458754.db2.gz PMAFUEBTOAZBQJ-OKCVXOCRSA-N 0 0 665.818 5.902 50 30 KKEARN O=S(=O)(Nc1ccc(F)cc1)c1ccc(/N=C/c2ccc(/C=N/c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)cc2)cc1 ZINC000150343349 571458898 /nfs/dbraw/zinc/45/88/98/571458898.db2.gz YQQGXMIMZUXMIM-JTOYJDTJSA-N 0 0 630.698 7.068 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150343763 571459113 /nfs/dbraw/zinc/45/91/13/571459113.db2.gz XWMIXYNBVNTPFV-REXQBJLCSA-N 0 0 814.126 8.526 50 30 KKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(I)c3)S2)c1 ZINC000150344105 571459182 /nfs/dbraw/zinc/45/91/82/571459182.db2.gz XEPUGEAAEBXGQX-XKZIYDEJSA-N 0 0 666.322 6.983 50 30 KKEARN COc1ccc(C(O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[P@@](=O)(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344950 571459554 /nfs/dbraw/zinc/45/95/54/571459554.db2.gz BEMDXQXSHVUENL-LKZXIISRSA-N 0 0 760.825 6.701 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNCc1ccccn1)C(=O)C(=O)C3C(C)C)C(=CNCc1ccccn1)C(=O)C(=O)C2C(C)C ZINC000150345405 571459902 /nfs/dbraw/zinc/45/99/02/571459902.db2.gz LLBYFXJEGLPRRY-NAZWXXJZSA-N 0 0 698.820 7.449 50 30 biogenic KKEARN O=C(c1ccc(Br)cc1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150345601 571459943 /nfs/dbraw/zinc/45/99/43/571459943.db2.gz ZZUHWLUVQQXPAI-WCBMZHEXSA-N 0 0 635.064 7.504 50 30 KKEARN COc1cc(-c2ccc(N=NC(N=Nc3ccc([N+](=O)[O-])cc3)c3ccccc3)c(OC)c2)ccc1N=NC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000150348461 571461227 /nfs/dbraw/zinc/46/12/27/571461227.db2.gz NHKRPSVRVUKAJC-LTWSLYJCSA-N 0 0 748.760 10.302 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccc(C)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348873 571461340 /nfs/dbraw/zinc/46/13/40/571461340.db2.gz JOOWSEMDWPVDOP-MBJURZOESA-N 0 0 660.774 8.212 50 30 KKEARN COc1cc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OCC(=O)N5CCOCC5)c(OC)c4)cc3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000150349080 571461344 /nfs/dbraw/zinc/46/13/44/571461344.db2.gz PXESYPOUHSAGBH-RIVOPQIESA-N 0 0 706.796 5.347 50 30 KKEARN Cc1ccc(C(=O)Oc2c(Br)cc(/C=N/c3ccc(/N=C/c4cc(Br)c(OC(=O)c5ccc(C)cc5)c(Br)c4)cc3)cc2Br)cc1 ZINC000150349114 571461451 /nfs/dbraw/zinc/46/14/51/571461451.db2.gz YTKCTGNFXYDOBJ-UQEDWYDKSA-N 0 0 868.214 11.293 50 30 KKEARN Oc1ccc(Cc2ccc(O)c(/C=N/c3ccc(I)cc3)c2)cc1/C=N/c1ccc(I)cc1 ZINC000150349630 571461652 /nfs/dbraw/zinc/46/16/52/571461652.db2.gz ROMLVRALZAYONQ-RVSCTIAXSA-N 0 0 658.277 7.399 50 30 KKEARN COc1cc(-c2ccc(/N=C/c3cc(C)cc(I)c3O)c(OC)c2)ccc1/N=C/c1cc(C)cc(I)c1O ZINC000150350075 571461754 /nfs/dbraw/zinc/46/17/54/571461754.db2.gz JPSPXZFDAHWLNG-KXJQYHRCSA-N 0 0 732.356 8.109 50 30 KKEARN COc1ccc(C(O)(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC000150352311 571462412 /nfs/dbraw/zinc/46/24/12/571462412.db2.gz WKTBNLMPYCYJER-UHFFFAOYSA-N 0 0 766.488 9.930 50 30 KKEARN O=C1/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000150354227 571462973 /nfs/dbraw/zinc/46/29/73/571462973.db2.gz DMSYJOYMIWSSKW-WZMRIPMOSA-N 0 0 689.256 9.906 50 30 KKEARN O=C(/C=C\c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4ccc(/C=C\C(=O)c5ccccc5)cc4)c2)C3=O)cc1)c1ccccc1 ZINC000150355946 571463183 /nfs/dbraw/zinc/46/31/83/571463183.db2.gz VXEVPQYUEAJYRW-WCOOBMQKSA-N 0 0 721.769 8.784 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(I)cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000150356110 571463184 /nfs/dbraw/zinc/46/31/84/571463184.db2.gz YRQIOCYQUAJCCS-MNDYBZJGSA-N 0 0 619.509 8.282 50 30 KKEARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)cc3s2)cc1 ZINC000150361377 571463813 /nfs/dbraw/zinc/46/38/13/571463813.db2.gz IDTSQVXTHFBCNZ-KPGMTVGESA-N 0 0 671.807 8.233 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3ccc(Br)c([N+](=O)[O-])c3)nc(N3CCOCC3)n2)cc1Cl ZINC000150384685 571468309 /nfs/dbraw/zinc/46/83/09/571468309.db2.gz RCHZZCZJXWPCTI-GATIEOLUSA-N 0 0 626.697 5.293 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)SC1=S ZINC000150385023 571468517 /nfs/dbraw/zinc/46/85/17/571468517.db2.gz ZUAXGFCSWBLLHJ-LZYBPNLTSA-N 0 0 624.254 7.318 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150385474 571468840 /nfs/dbraw/zinc/46/88/40/571468840.db2.gz WCWSJFFITDLELK-BTZRARBUSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000150385554 571468911 /nfs/dbraw/zinc/46/89/11/571468911.db2.gz ZHPQLLDBXUYCLU-GVXSCFBNSA-N 0 0 655.651 6.202 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2C)cc1OC ZINC000150387128 571469852 /nfs/dbraw/zinc/46/98/52/571469852.db2.gz GWRQLDBKVTUVKE-UHFFFAOYSA-N 0 0 631.552 7.000 50 30 KKEARN C=CCN(C(=O)c1sc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)c2c1N)c1ccccc1 ZINC000150389512 571471794 /nfs/dbraw/zinc/47/17/94/571471794.db2.gz TWXDPIBMXXOSBD-UHFFFAOYSA-N 0 0 631.983 8.355 50 30 KKEARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000150398254 571477288 /nfs/dbraw/zinc/47/72/88/571477288.db2.gz LTMABYWROUVCEB-UHFFFAOYSA-N 0 0 662.468 8.169 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150398780 571477421 /nfs/dbraw/zinc/47/74/21/571477421.db2.gz OHTDDMXWVUOEIO-JOHYPREOSA-N 0 0 677.739 5.133 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000150400486 571478027 /nfs/dbraw/zinc/47/80/27/571478027.db2.gz NYGXGFMABGNCBA-SONOPUAISA-N 0 0 646.600 6.141 50 30 KKEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000150405773 571479438 /nfs/dbraw/zinc/47/94/38/571479438.db2.gz DCEGKKHWZPVJAI-BWAHOGKJSA-N 0 0 629.541 6.892 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1)c1ccccc1 ZINC000150407956 571480411 /nfs/dbraw/zinc/48/04/11/571480411.db2.gz XFBBERQZAXAAMZ-OVCLIPMQSA-N 0 0 707.611 6.253 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000150409759 571482140 /nfs/dbraw/zinc/48/21/40/571482140.db2.gz AOELLSRNDQRGSZ-URAOTHONSA-N 0 0 634.523 6.156 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1Cl ZINC000150410550 571482923 /nfs/dbraw/zinc/48/29/23/571482923.db2.gz LYJPFYZBYDHBOG-UHFFFAOYSA-N 0 0 630.092 6.977 50 30 KKEARN C=C(C)Cn1c(SCCCSc2nc3c(c(=O)n2-c2ccc(OC)cc2)C2(CCCCC2)Cc2ccccc2-3)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000150411586 571483880 /nfs/dbraw/zinc/48/38/80/571483880.db2.gz XRADPQRRQDHMCW-UHFFFAOYSA-N 0 0 797.103 10.498 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(=O)[C@H](C(=O)OC)C(C)(C)C4)cc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000150415242 571485309 /nfs/dbraw/zinc/48/53/09/571485309.db2.gz ZGAUELUAJGRJHL-KKLWWLSJSA-N 0 0 684.830 7.000 50 30 KKEARN O=C(Nc1nc2ccccc2s1)[C@@](F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F ZINC000150422058 571488011 /nfs/dbraw/zinc/48/80/11/571488011.db2.gz GRYMHPIWCVUSQW-SECBINFHSA-N 0 0 710.265 7.606 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000150425156 571489533 /nfs/dbraw/zinc/48/95/33/571489533.db2.gz FWZRDDQXKMGYIS-WAQHJAAWSA-N 0 0 645.752 7.267 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000150425235 571489688 /nfs/dbraw/zinc/48/96/88/571489688.db2.gz OUABRYXLKUQNKQ-UHFFFAOYSA-N 0 0 625.401 6.891 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000150425190 571489720 /nfs/dbraw/zinc/48/97/20/571489720.db2.gz CSAJFWSHABIKSP-UHFFFAOYSA-N 0 0 635.407 6.346 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C(C)C)cc3)c2C(=O)OCC)nc2scc(-c3cccs3)c2c1=O ZINC000150425545 571489907 /nfs/dbraw/zinc/48/99/07/571489907.db2.gz RDDBNVLQFGYELX-UHFFFAOYSA-N 0 0 635.858 8.132 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426833 571491175 /nfs/dbraw/zinc/49/11/75/571491175.db2.gz YLOAVMLQKROHKK-ACSYHNTCSA-N 0 0 644.559 5.813 50 30 KKEARN CNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2[C@@H](O[C@H]2c3ccccc3C(=O)C(c3ccc(Cl)c(Cl)c3)=C(NC)N2C)N1C ZINC000150431092 571493349 /nfs/dbraw/zinc/49/33/49/571493349.db2.gz YURDEIHQQKBOOP-KRTBVXIDSA-N 0 0 708.473 9.814 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435410 571495490 /nfs/dbraw/zinc/49/54/90/571495490.db2.gz KMDPUFFMEZVRFZ-ZQFJXRGVSA-N 0 0 646.765 7.841 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435653 571495705 /nfs/dbraw/zinc/49/57/05/571495705.db2.gz IZMFDJIOYIIQEF-QXCFGMLZSA-N 0 0 653.156 7.877 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435685 571495762 /nfs/dbraw/zinc/49/57/62/571495762.db2.gz HVHKVIAFIOCFPO-CBOKBIJUSA-N 0 0 648.737 7.232 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435817 571495820 /nfs/dbraw/zinc/49/58/20/571495820.db2.gz ABNUZXPLZCMGGZ-SZYGQJGOSA-N 0 0 634.710 6.980 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000150436463 571496250 /nfs/dbraw/zinc/49/62/50/571496250.db2.gz VRNOJHGSFGRXQW-UKZNZPTOSA-N 0 0 645.752 7.267 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000150436579 571496279 /nfs/dbraw/zinc/49/62/79/571496279.db2.gz ZTUKLNHJEHCEDX-SXSCYYOBSA-N 0 0 645.752 7.267 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450701 571502620 /nfs/dbraw/zinc/50/26/20/571502620.db2.gz UZLVCTGOFWGVQO-VWEWBFCZSA-N 0 0 642.462 5.052 50 30 KKEARN COc1ccc(O)c(/C=N/c2ccc(Nc3cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c3Nc3ccc(C)cc3)cc2)c1 ZINC000150452054 571503250 /nfs/dbraw/zinc/50/32/50/571503250.db2.gz MKDJIQUMPXGSBI-AIMOZCANSA-N 0 0 700.589 8.419 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)ccc2Br)c1)c1ccccc1 ZINC000150460301 571505929 /nfs/dbraw/zinc/50/59/29/571505929.db2.gz LMKDICFMWONIKN-NOZRDPDXSA-N 0 0 653.577 6.328 50 30 KKEARN COc1ccc(C(=O)Nc2ccc(-n3nc(OCc4ccc(F)cc4)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1C(F)(F)F ZINC000150462159 571506586 /nfs/dbraw/zinc/50/65/86/571506586.db2.gz DJAPKUAMRUWYHV-UHFFFAOYSA-N 0 0 630.520 7.951 50 30 KKEARN CCCCCCCCCC[C@H]1CSC2=C(SC(=C3c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4-c4c3cc([N+](=O)[O-])cc4[N+](=O)[O-])S2)S1 ZINC000150463891 571507567 /nfs/dbraw/zinc/50/75/67/571507567.db2.gz WTECGCDXBSZCAM-SFHVURJKSA-N 0 0 676.820 10.003 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466712 571508070 /nfs/dbraw/zinc/50/80/70/571508070.db2.gz NDVKOHRAFCYAJZ-LQVPMSSISA-N 0 0 632.738 7.450 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466716 571508079 /nfs/dbraw/zinc/50/80/79/571508079.db2.gz NDVKOHRAFCYAJZ-AGGHSELMSA-N 0 0 632.738 7.450 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000150467868 571508237 /nfs/dbraw/zinc/50/82/37/571508237.db2.gz XUEDUGYOMRAVLH-KCEHZKJRSA-N 0 0 648.550 6.459 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000150473188 571510334 /nfs/dbraw/zinc/51/03/34/571510334.db2.gz ZOGWNZFMTIWZLA-ACSYHNTCSA-N 0 0 644.559 5.815 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1COc1c(Br)cc(Br)cc1Br ZINC000150476335 571510878 /nfs/dbraw/zinc/51/08/78/571510878.db2.gz SNIILRHXCPWYGW-RPPGKUMJSA-N 0 0 628.184 6.882 50 30 KKEARN O=P(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000150477858 571511381 /nfs/dbraw/zinc/51/13/81/571511381.db2.gz RRJVVUUBMMGASO-UHFFFAOYSA-N 0 0 850.164 9.363 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000150483908 571514648 /nfs/dbraw/zinc/51/46/48/571514648.db2.gz KDUHVVXEZUTIAN-KXKTWFEWSA-N 0 0 631.779 8.381 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c(OC)c1 ZINC000150485062 571515638 /nfs/dbraw/zinc/51/56/38/571515638.db2.gz JTIHPUJQOZAYGO-ZOFLOHRWSA-N 0 0 681.839 9.535 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)c1 ZINC000150489796 571516801 /nfs/dbraw/zinc/51/68/01/571516801.db2.gz WBWHPBGYVCALFS-HXUWFJFHSA-N 0 0 645.199 6.268 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4-c4ccccc4)n3-c3ccccc3OC)sc2C1 ZINC000150490108 571516956 /nfs/dbraw/zinc/51/69/56/571516956.db2.gz RXFRZAMYEGXVFI-SANMLTNESA-N 0 0 677.896 8.727 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1 ZINC000150494795 571517545 /nfs/dbraw/zinc/51/75/45/571517545.db2.gz PRRDCCQVPOZVPS-UHFFFAOYSA-N 0 0 657.862 9.324 50 30 KKEARN COc1ccc(/C(=N\CS(=O)(=O)c2ccc(C)cc2)n2c(=S)nc(-c3ccc(OC)cc3)n(CS(=O)(=O)c3ccc(C)cc3)c2=S)cc1 ZINC000150508346 571519263 /nfs/dbraw/zinc/51/92/63/571519263.db2.gz SRDPEXJLOPVOQN-JSLDZMDGSA-N 0 0 720.920 6.602 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509656 571519628 /nfs/dbraw/zinc/51/96/28/571519628.db2.gz ORLUHVRMNFWKHC-PRAQEBQASA-N 0 0 640.571 6.808 50 30 KKEARN CCCCCCCCCCCC[C@@H](Oc1ccc(O)cc1C(C)(C)C)C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150541315 571520624 /nfs/dbraw/zinc/52/06/24/571520624.db2.gz YHJJWJVVAALDFC-UUWRZZSWSA-N 0 0 778.649 12.163 50 30 KKEARN Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000150567329 571521343 /nfs/dbraw/zinc/52/13/43/571521343.db2.gz RBRLCDNOUZSBEJ-ZONNCAFXSA-N 0 0 658.032 8.351 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000150574611 571521584 /nfs/dbraw/zinc/52/15/84/571521584.db2.gz UVFMDASLWCGWNE-FUAQWRKOSA-N 0 0 660.752 5.141 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150599267 571522535 /nfs/dbraw/zinc/52/25/35/571522535.db2.gz CENIVRJBHBGMJO-HBMWKUFKSA-N 0 0 646.769 5.615 50 30 KKEARN C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1I ZINC000150618785 571523275 /nfs/dbraw/zinc/52/32/75/571523275.db2.gz YBSTWPGSORMJLM-PDGQHHTCSA-N 0 0 646.313 5.380 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150626113 571523673 /nfs/dbraw/zinc/52/36/73/571523673.db2.gz SGWSWIKHSNXVJK-YUEMOGKHSA-N 0 0 658.780 5.699 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(C(F)(F)F)C(F)(F)N2C(F)(F)C(F)(F)N(C(F)(F)[C@@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)cc1 ZINC000150627850 571523843 /nfs/dbraw/zinc/52/38/43/571523843.db2.gz YWFHWZFZHNROLA-QZTJIDSGSA-N 0 0 828.398 7.997 50 30 KKEARN O=C(/C=C\c1ccccc1)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)/C=C\c4ccccc4)c3)cc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000150638620 571524468 /nfs/dbraw/zinc/52/44/68/571524468.db2.gz GAJUNDCBDPSNHK-SXAUZNKPSA-N 0 0 721.769 8.784 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000150640842 571524562 /nfs/dbraw/zinc/52/45/62/571524562.db2.gz ZXSKOESEMXHJKX-CTQPMARESA-N 0 0 636.773 9.179 50 30 KKEARN CCOP1(OCC)(OC(C(=O)C(C)C)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1 ZINC000150654250 571526363 /nfs/dbraw/zinc/52/63/63/571526363.db2.gz QESBYSGFYPNHFC-UHFFFAOYSA-N 0 0 690.255 8.066 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000150662961 571528018 /nfs/dbraw/zinc/52/80/18/571528018.db2.gz RUDYKJUPJSBFLF-BIYCFNCWSA-N 0 0 652.641 6.380 50 30 KKEARN CCCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCCCC)c(Br)s2)sc1Br ZINC000164756281 571550992 /nfs/dbraw/zinc/55/09/92/571550992.db2.gz YWKJVWGQFAPEDZ-UHFFFAOYSA-N 0 0 716.818 15.489 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000169617767 571553923 /nfs/dbraw/zinc/55/39/23/571553923.db2.gz YEBULHLZEGWWME-LGNVEDGCSA-N 0 0 584.507 6.178 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(Br)c1 ZINC000169618321 571554004 /nfs/dbraw/zinc/55/40/04/571554004.db2.gz XMFAQRSXXIRBJX-BITVEADBSA-N 0 0 538.489 6.636 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3N2)cc1OC ZINC000169683198 571558063 /nfs/dbraw/zinc/55/80/63/571558063.db2.gz PWNONGKAAGCGHV-LEXZLQQCSA-N 0 0 545.587 5.871 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000169692383 571558555 /nfs/dbraw/zinc/55/85/55/571558555.db2.gz OCTNFYJLKUMLSR-GJECAEJISA-N 0 0 535.662 5.388 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1Cl ZINC000195530157 571563685 /nfs/dbraw/zinc/56/36/85/571563685.db2.gz YAVPLOCHSZBLFH-IEGUWTFLSA-N 0 0 553.508 5.472 50 30 KKEARN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000198685628 571568064 /nfs/dbraw/zinc/56/80/64/571568064.db2.gz NVEDMRLUKBEWQD-ZEQRLZLVSA-N 0 0 740.736 9.902 50 30 KKEARN Cc1c(CCC#N)c(Cc2[nH]c(C(=O)OCc3ccccc3)c(C)c2CCC#N)[nH]c1C(=O)OCc1ccccc1 ZINC000198750956 571568875 /nfs/dbraw/zinc/56/88/75/571568875.db2.gz WHWPELMSAQJXEW-UHFFFAOYSA-N 0 0 548.643 6.177 50 30 KKEARN FC(F)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)[C@]1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C1(F)F ZINC000212554110 571577022 /nfs/dbraw/zinc/57/70/22/571577022.db2.gz DFGLLDMCDAKADU-LAMMAJBHSA-N 0 0 774.127 9.119 50 30 KKEARN CCCCCOc1ccc(N2C(=O)C[C@H](Sc3nc(C4CC4)cc(-c4ccc(Cl)cc4)c3C#N)C2=O)cc1 ZINC000215675476 571584688 /nfs/dbraw/zinc/58/46/88/571584688.db2.gz LBSNKHXRSJGJMZ-MHZLTWQESA-N 0 0 546.092 7.144 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000215680929 571584713 /nfs/dbraw/zinc/58/47/13/571584713.db2.gz FEWOPGQUQDPKSI-JOCHJYFZSA-N 0 0 527.955 6.594 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nc(C4CC4)cc(-c4ccc(Cl)cc4)c3C#N)C2=O)cc1 ZINC000215675649 571584718 /nfs/dbraw/zinc/58/47/18/571584718.db2.gz RLVCCSWWZBWXNL-HSZRJFAPSA-N 0 0 517.994 5.362 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000215706515 571585034 /nfs/dbraw/zinc/58/50/34/571585034.db2.gz RREPRPIQPBTGCP-UHFFFAOYSA-N 0 0 512.435 5.792 50 30 KKEARN C[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000215718186 571585179 /nfs/dbraw/zinc/58/51/79/571585179.db2.gz BMBCEDNNBUUPAE-CPBCUTPGSA-N 0 0 547.920 8.035 50 30 KKEARN C[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000215719801 571585343 /nfs/dbraw/zinc/58/53/43/571585343.db2.gz CVRCOCNLFIOFHW-QVUMDZJSSA-N 0 0 547.920 8.035 50 30 KKEARN Cc1ccc(-c2nc(SCC(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)c(C#N)cc2C)cc1 ZINC000215747364 571585807 /nfs/dbraw/zinc/58/58/07/571585807.db2.gz BCWZRYFWKYRUDJ-UHFFFAOYSA-N 0 0 500.624 5.569 50 30 KKEARN C=C(C)COc1ccc([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2oc(COC)cc(=O)c2O)cc1 ZINC000217640667 571601985 /nfs/dbraw/zinc/60/19/85/571601985.db2.gz HSTVELZGOZATRS-VWLOTQADSA-N 0 0 528.605 5.035 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc(C(C)C)cc2)CC(=O)O3)C1=O ZINC000217955986 571602748 /nfs/dbraw/zinc/60/27/48/571602748.db2.gz BNCSSELONJJLDH-QMPKWXHSSA-N 0 0 500.547 5.893 50 30 KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(OCCc5ccc6c(c5)CCO6)c(OC)c3)CC(=O)O4)C2=O)c1OC ZINC000218118904 571603552 /nfs/dbraw/zinc/60/35/52/571603552.db2.gz VEZMXOBNDOHHSL-OCHQUJFWSA-N 0 0 620.654 6.326 50 30 biogenic KKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000032839004 571744807 /nfs/dbraw/zinc/74/48/07/571744807.db2.gz IQGPMZRCLCCXAG-RUZDIDTESA-O 0 0 524.700 5.992 50 30 endogenous,in-man KKEARN COc1ccc(/N=C2\S/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)C(=O)N2C)cc1 ZINC000225385604 571754346 /nfs/dbraw/zinc/75/43/46/571754346.db2.gz BFYQDPAWHMCGGO-SZWOAXKJSA-N 0 0 520.010 6.042 50 30 KKEARN CCCCn1c2cc(Br)c(OC)cc2c(C(=O)OCC)c1COc1ccc(/C=N/N)cc1 ZINC000261490859 572109565 /nfs/dbraw/zinc/10/95/65/572109565.db2.gz KSPKQTXYTTZIBA-MZJWZYIUSA-N 0 0 502.409 5.261 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000261490474 572109814 /nfs/dbraw/zinc/10/98/14/572109814.db2.gz ARBKTKAUJNRJQD-WTLIPCOBSA-N 0 0 572.878 8.431 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000261492440 572110406 /nfs/dbraw/zinc/11/04/06/572110406.db2.gz XQEGNJRCYISSOX-VKTUQBQISA-N 0 0 528.774 6.721 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263584801 572115329 /nfs/dbraw/zinc/11/53/29/572115329.db2.gz AUNVAGMULMMSAE-XMMPIXPASA-N 0 0 572.654 7.363 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(C(=O)OC)cc2)C4=O)cc1 ZINC000263585755 572119680 /nfs/dbraw/zinc/11/96/80/572119680.db2.gz MCADMAFOOQYAMO-UTDXIZSJSA-N 0 0 554.639 7.270 50 30 KKEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585823 572120465 /nfs/dbraw/zinc/12/04/65/572120465.db2.gz MYNZXBBWUWLTFL-FQEVSTJZSA-N 0 0 514.530 5.579 50 30 KKEARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3cn(C)c4ccccc34)C5=O)cc2c1 ZINC000263585983 572120944 /nfs/dbraw/zinc/12/09/44/572120944.db2.gz OOFQMQUPOCAYQB-TZUJKKSJSA-N 0 0 518.525 5.498 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)cc1 ZINC000263586399 572123146 /nfs/dbraw/zinc/12/31/46/572123146.db2.gz UBEDWCOUGYIKIS-UAWDSHSBSA-N 0 0 548.591 6.383 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)C4CCCCC4)c1)N(C)CC3)OCO2 ZINC000263586319 572123169 /nfs/dbraw/zinc/12/31/69/572123169.db2.gz SOVPETIVKNLLHF-UHFFFAOYSA-N 0 0 541.442 5.417 50 30 KKEARN COc1cc(C=C2Oc3c(ccc4c3[C@@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263586527 572123724 /nfs/dbraw/zinc/12/37/24/572123724.db2.gz VHCPBCQLAPOQGY-CIQOZVAXSA-N 0 0 525.513 5.023 50 30 KKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586860 572125312 /nfs/dbraw/zinc/12/53/12/572125312.db2.gz YYSHCLKBLVQSLA-JTHBVZDNSA-N 0 0 600.756 5.962 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4ccc(Cl)nc4)c1)N(C)CC3)OCO2 ZINC000263586997 572125756 /nfs/dbraw/zinc/12/57/56/572125756.db2.gz AVJGKRZFDWVVHV-UHFFFAOYSA-N 0 0 570.827 5.199 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4ccsc4)c1)N(C)CC3)OCO2 ZINC000263587536 572125897 /nfs/dbraw/zinc/12/58/97/572125897.db2.gz HZUUASKSDDVKPG-UHFFFAOYSA-N 0 0 541.423 5.212 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000227067411 572149110 /nfs/dbraw/zinc/14/91/10/572149110.db2.gz QBWPQTOAJSBQSC-LZMSYLRASA-N 0 0 566.617 5.053 50 30 KKEARN CCCCCCCCN=C1N=C2C(C)=CC=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158436 572153494 /nfs/dbraw/zinc/15/34/94/572153494.db2.gz NYZVFFUYCRZXLJ-AGAABGOZSA-N 0 0 548.756 5.201 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229603766 572155735 /nfs/dbraw/zinc/15/57/35/572155735.db2.gz AQZJVQCZOOMNBR-RPWYQEBTSA-N 0 0 596.639 5.962 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(Cl)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000229615847 572156944 /nfs/dbraw/zinc/15/69/44/572156944.db2.gz OWTNSYHQBBCHRP-NWDGNEFISA-N 0 0 554.046 5.228 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229680358 572159667 /nfs/dbraw/zinc/15/96/67/572159667.db2.gz QWNWUENDWKKSML-RSYZFUPGSA-N 0 0 543.406 5.371 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4cccc5ccccc54)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000229871660 572163667 /nfs/dbraw/zinc/16/36/67/572163667.db2.gz ZTOQXMIUUIYQKD-QGAYDTHSSA-N 0 0 633.498 5.989 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000229906243 572167958 /nfs/dbraw/zinc/16/79/58/572167958.db2.gz QEYSIYPZLGDOJI-DQEIUOGQSA-N 0 0 570.645 6.204 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)c(OC)cc1Br ZINC000229948926 572172936 /nfs/dbraw/zinc/17/29/36/572172936.db2.gz YCBDKRQXCXWNPC-COLOXBMXSA-N 0 0 572.452 5.143 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000230034103 572180625 /nfs/dbraw/zinc/18/06/25/572180625.db2.gz CIFFIGAFEKNHJI-JMJMSVOMSA-N 0 0 581.665 6.201 50 30 KKEARN Cc1cccc(N2CCN(CN3C(=O)/C(=N\NC(=S)Nc4cccc(Cl)c4C)c4ccccc43)C[C@H]2C)c1 ZINC000230082359 572182937 /nfs/dbraw/zinc/18/29/37/572182937.db2.gz DUJSVMPFOGZJDU-JPRQMZDISA-N 0 0 547.128 5.162 50 30 KKEARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000230144215 572184610 /nfs/dbraw/zinc/18/46/10/572184610.db2.gz FISZGMLXLXEGJB-ICACTRECSA-N 0 0 530.716 7.987 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)cc3)c(=O)n21 ZINC000239025321 572190034 /nfs/dbraw/zinc/19/00/34/572190034.db2.gz BKDWOIGKOFLPTE-MGBGTMOVSA-N 0 0 585.685 5.437 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000239433748 572195962 /nfs/dbraw/zinc/19/59/62/572195962.db2.gz YKCYCQSFKWWXPA-USXBAFPISA-N 0 0 507.715 6.842 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000239433745 572195974 /nfs/dbraw/zinc/19/59/74/572195974.db2.gz YKCYCQSFKWWXPA-GTTLOXGBSA-N 0 0 507.715 6.842 50 30 KKEARN FC(F)(F)C(F)(F)[C@@]1(F)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)[C@](F)(C(F)(F)F)C1(F)F ZINC000242592261 572198637 /nfs/dbraw/zinc/19/86/37/572198637.db2.gz OPBDICCMIAULLE-FFEAPLRNSA-N 0 0 500.070 6.353 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000245224482 572202448 /nfs/dbraw/zinc/20/24/48/572202448.db2.gz XCSZRHBSQLYKOK-HTPUFBNKSA-N 0 0 842.136 8.707 50 30 KKEARN COc1ccc(Br)cc1/C=C1\C[C@H](C(C)(C)C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000245226490 572203961 /nfs/dbraw/zinc/20/39/61/572203961.db2.gz ZJFUERLOQULAKO-MZZMTWHPSA-N 0 0 548.315 7.721 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000245229067 572206337 /nfs/dbraw/zinc/20/63/37/572206337.db2.gz MJIDTFLOMGOJSN-FNKBUZRESA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc(Br)c1 ZINC000245229169 572206359 /nfs/dbraw/zinc/20/63/59/572206359.db2.gz PLGZMGHIWPEILR-IRPXJGOYSA-N 0 0 687.428 7.943 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245229362 572207142 /nfs/dbraw/zinc/20/71/42/572207142.db2.gz VQUJTJJNPHDQSI-OIPVWHMQSA-N 0 0 515.609 6.028 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245229360 572207156 /nfs/dbraw/zinc/20/71/56/572207156.db2.gz VQUJTJJNPHDQSI-ABHJAZTJSA-N 0 0 515.609 6.028 50 30 KKEARN O=C(/C=C/c1ccc(OC[C@H](O)COc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)c1ccccc1 ZINC000245239348 572213147 /nfs/dbraw/zinc/21/31/47/572213147.db2.gz IBKMCILNGFJQRC-UZPQLGCJSA-N 0 0 504.582 6.298 50 30 KKEARN FC(F)(F)c1nn(CN2CCN(Cn3nc(C(F)(F)F)n(N=Cc4ccccc4)c3=S)CC2)c(=S)n1N=Cc1ccccc1 ZINC000245240642 572214157 /nfs/dbraw/zinc/21/41/57/572214157.db2.gz QYHCQJOUSQJSQX-UHFFFAOYSA-N 0 0 654.670 5.176 50 30 KKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)C[C@@H](c5ccc(F)cc5)CC4=Nc4nc5ccccc5n43)cc21 ZINC000245240480 572214203 /nfs/dbraw/zinc/21/42/03/572214203.db2.gz WDLBUGQLPJCGDD-CSGSPXDWSA-N 0 0 520.652 7.313 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000245240651 572214230 /nfs/dbraw/zinc/21/42/30/572214230.db2.gz RBVUIWVCLSYSBF-FUWRKTSBSA-N 0 0 544.642 7.589 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000245247140 572220307 /nfs/dbraw/zinc/22/03/07/572220307.db2.gz QEYSIYPZLGDOJI-NNAJYLLUSA-N 0 0 570.645 6.204 50 30 KKEARN COc1ccc(C2=C(C=Nc3ccc(NC(C)=O)cc3)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000245264612 572223063 /nfs/dbraw/zinc/22/30/63/572223063.db2.gz DNBNSBSMCXYWFO-JGCGQSQUSA-N 0 0 518.613 7.309 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cc4c(cc3OC)OCO4)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000245312908 572230301 /nfs/dbraw/zinc/23/03/01/572230301.db2.gz YQHMERPFMFOAMB-QVPKUCOYSA-N 0 0 527.602 5.761 50 30 KKEARN O=c1c2c(nc(NN=Cc3ccc4c(c3)OCO4)n1Cc1ccccc1)-c1ccccc1CC21CCCC1 ZINC000245324847 572231025 /nfs/dbraw/zinc/23/10/25/572231025.db2.gz AJUHZEZLGJDGKS-UHFFFAOYSA-N 0 0 504.590 5.501 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1 ZINC000245324899 572231280 /nfs/dbraw/zinc/23/12/80/572231280.db2.gz BZCLUFYEIQJFLT-UMSFTDKQSA-N 0 0 604.728 5.964 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000245328206 572234888 /nfs/dbraw/zinc/23/48/88/572234888.db2.gz UEKQUEYZVKCVPM-DHUJRADRSA-N 0 0 629.738 5.835 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCC2[C@H]3C=C[C@H]4C(CCOS(=O)(=O)c5ccc(C)cc5)[C@@H]5C=C[C@H]2[C@H]5[C@@H]34)cc1 ZINC000248019346 572252189 /nfs/dbraw/zinc/25/21/89/572252189.db2.gz LVQGKIBIYWIVRS-PQBXNJQKSA-N 0 0 554.730 5.291 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H](OC(=O)Cc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000248241433 572256872 /nfs/dbraw/zinc/25/68/72/572256872.db2.gz FFEGNNNGNHNNQF-IVOYHWKFSA-N 0 0 647.806 5.500 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(=O)Cc1ccccc1 ZINC000248241435 572256906 /nfs/dbraw/zinc/25/69/06/572256906.db2.gz FFEGNNNGNHNNQF-PPVUWPOVSA-N 0 0 647.806 5.500 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2cccc3ccccc32)[C@H](C(=O)c2cccc3ccccc32)[C@H]1c1cccc(Br)c1 ZINC000248320443 572257977 /nfs/dbraw/zinc/25/79/77/572257977.db2.gz SIGNMOLMUMXFTJ-ATHHFPRDSA-N 0 0 787.548 10.249 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2Cl)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl ZINC000248322046 572258057 /nfs/dbraw/zinc/25/80/57/572258057.db2.gz VQDUNEOOWQBSRV-JOFBTGDGSA-N 0 0 667.416 9.031 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4cc(C)cc(Cl)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000248336754 572258297 /nfs/dbraw/zinc/25/82/97/572258297.db2.gz OWTNSYHQBBCHRP-RTXLYREFSA-N 0 0 554.046 5.228 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000250825308 572259211 /nfs/dbraw/zinc/25/92/11/572259211.db2.gz NDTYMEWMFVIMBE-UPNJXQDPSA-N 0 0 613.789 5.447 50 30 KKEARN COc1cc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000252337702 572260119 /nfs/dbraw/zinc/26/01/19/572260119.db2.gz MVFZFKNUNYNNOG-MFSTVLQKSA-N 0 0 510.627 6.230 50 30 KKEARN C(=Nc1cccc2c(N=Cc3ccccc3OCc3ccccc3)cccc12)c1ccccc1OCc1ccccc1 ZINC000252463182 572261363 /nfs/dbraw/zinc/26/13/63/572261363.db2.gz ZMNDHGYBFZQHOW-UHFFFAOYSA-N 0 0 546.670 9.499 50 30 KKEARN O=C1c2ccc3c(c2O/C1=C\c1cc(F)c(F)c(F)c1)[C@@H](c1cccc(Oc2ncccn2)c1)CC(=O)O3 ZINC000252495765 572261723 /nfs/dbraw/zinc/26/17/23/572261723.db2.gz OZKMTWIATKGDHG-DSDJNCIMSA-N 0 0 516.431 5.743 50 30 KKEARN C=CCOc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)[C@]2(O)C(F)(F)F)cc1 ZINC000252515900 572262019 /nfs/dbraw/zinc/26/20/19/572262019.db2.gz OJSSTAMJXQUXKD-MDNUFGMLSA-N 0 0 543.325 5.311 50 30 KKEARN CCCC[C@@H]1SC(C)=NN1C(=Nc1nnc(C)s1)N1CCN(C(=Nc2nnc(C)s2)N2N=C(C)S[C@H]2CCCC)CC1 ZINC000252588543 572266360 /nfs/dbraw/zinc/26/63/60/572266360.db2.gz ACNPSQNUHHEKEK-VXKWHMMOSA-N 0 0 648.958 6.096 50 30 KKEARN CCCC[C@H]1SC(C)=NN1C(=Nc1nnc(C)s1)N1CCN(C(=Nc2nnc(C)s2)N2N=C(C)S[C@H]2CCCC)CC1 ZINC000252588540 572266413 /nfs/dbraw/zinc/26/64/13/572266413.db2.gz ACNPSQNUHHEKEK-SZPZYZBQSA-N 0 0 648.958 6.096 50 30 KKEARN CC(C)(C)c1ccc(CSc2nc3ccc(N=Cc4c5ccccc5cc5ccccc54)cc3s2)cc1 ZINC000252588884 572266488 /nfs/dbraw/zinc/26/64/88/572266488.db2.gz AFNOIAIEUXMCJF-UHFFFAOYSA-N 0 0 516.735 9.943 50 30 KKEARN CCN(CC)c1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(N(CC)CC)cc4)c(C)c3)cc2C)cc1 ZINC000252588644 572266525 /nfs/dbraw/zinc/26/65/25/572266525.db2.gz ADCFIDZLHSOQKQ-UHFFFAOYSA-N 0 0 530.760 9.164 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3\C(=O)Nc4ccc(CC)cc43)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252590385 572266595 /nfs/dbraw/zinc/26/65/95/572266595.db2.gz ASHQDPDMYFOODQ-ZCNCKGOUSA-N 0 0 569.639 5.733 50 30 KKEARN S=C(NCc1ccccc1)NN=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12 ZINC000252590147 572266602 /nfs/dbraw/zinc/26/66/02/572266602.db2.gz APTCHWWQRROYAR-UHFFFAOYSA-N 0 0 507.457 5.481 50 30 KKEARN O=C1Nc2ccc(I)cc2/C1=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252591861 572266646 /nfs/dbraw/zinc/26/66/46/572266646.db2.gz BCGKLOJFOTYIOX-RVXGYWATSA-N 0 0 523.355 5.422 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252591156 572266670 /nfs/dbraw/zinc/26/66/70/572266670.db2.gz AYBWPKYDULKECL-NZICMRGFSA-N 0 0 580.622 7.867 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252591318 572266689 /nfs/dbraw/zinc/26/66/89/572266689.db2.gz AZKZEKJRQNZUOB-IAEQWOFTSA-N 0 0 501.564 6.366 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2cc(Br)cc(OC)c2O)C(=O)N1c1ccccc1CC ZINC000252593836 572266750 /nfs/dbraw/zinc/26/67/50/572266750.db2.gz BMUOOXDZDAROSW-OLZWGXQXSA-N 0 0 537.479 7.097 50 30 KKEARN CCOC(=O)c1c(N=Cc2cc(Br)ccc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000252592805 572266773 /nfs/dbraw/zinc/26/67/73/572266773.db2.gz BHQZZQFDTMLCIX-UHFFFAOYSA-N 0 0 566.473 7.500 50 30 KKEARN CSc1nc2ccc(NC(=O)CSc3nc4ccc(N=Cc5c6ccccc6cc6ccccc65)cc4s3)cc2s1 ZINC000252594849 572266928 /nfs/dbraw/zinc/26/69/28/572266928.db2.gz BVPAWUKIBQJBNP-UHFFFAOYSA-N 0 0 606.823 9.416 50 30 KKEARN COc1ccc(OCCn2cc(/C=C3\SC(=Nc4ccccc4)N(C4CC4)C3=O)c3ccccc32)cc1 ZINC000252596080 572267000 /nfs/dbraw/zinc/26/70/00/572267000.db2.gz CGWATQUIIIYAST-VJLXJNPLSA-N 0 0 509.631 6.495 50 30 KKEARN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=Nc1ccc(Br)cc1 ZINC000252596745 572267022 /nfs/dbraw/zinc/26/70/22/572267022.db2.gz CMHOAWPOSSWDKR-HOOGSHDOSA-N 0 0 502.437 6.686 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3ccc(Br)cc3)N(c3ccccc3)C1=O)S2 ZINC000252596545 572267039 /nfs/dbraw/zinc/26/70/39/572267039.db2.gz CKFVXMAJEWIHRQ-GAUWVFOVSA-N 0 0 524.465 6.636 50 30 KKEARN CCCCCCCCOc1ccc(C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000252595797 572267040 /nfs/dbraw/zinc/26/70/40/572267040.db2.gz CDRLFAJGGKCXFD-UHFFFAOYSA-N 0 0 508.684 6.474 50 30 KKEARN Clc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000252598967 572267308 /nfs/dbraw/zinc/26/73/08/572267308.db2.gz DFVJROJGECUPAQ-UHFFFAOYSA-N 0 0 522.012 7.037 50 30 KKEARN CCCCOc1ccc(NC(=O)CSc2nc3ccc(N=Cc4c5ccccc5cc5ccccc54)cc3s2)cc1 ZINC000252599993 572267310 /nfs/dbraw/zinc/26/73/10/572267310.db2.gz DNZWHJIOIDQGDG-UHFFFAOYSA-N 0 0 575.759 9.263 50 30 KKEARN CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(CC)cc2)N(c2ccc(CC)cc2)C1=O ZINC000252602724 572267503 /nfs/dbraw/zinc/26/75/03/572267503.db2.gz FJXNUASCRWYJPU-LHUIWCMESA-N 0 0 512.719 8.579 50 30 KKEARN Cn1ccnc1Sc1ccc(C=Nc2ccc3nc(SCC(=O)NC4CCCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000252602750 572267505 /nfs/dbraw/zinc/26/75/05/572267505.db2.gz FKUUALRUFNRKIU-UHFFFAOYSA-N 0 0 566.734 6.381 50 30 KKEARN COc1ccc(C(=O)C(=CNCCCCCCNC=C(N=Nc2ccccc2)C(=O)c2ccc(OC)cc2)N=Nc2ccccc2)cc1 ZINC000252604631 572267620 /nfs/dbraw/zinc/26/76/20/572267620.db2.gz GBOABFGMWMIORS-PJGNUKMBSA-N 0 0 644.776 7.408 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1O ZINC000252606999 572267862 /nfs/dbraw/zinc/26/78/62/572267862.db2.gz GXHRZGPZEQZYCF-WZHFLWTNSA-N 0 0 566.315 6.863 50 30 KKEARN CCOc1ccc(N=C2S/C(=C/c3cc(OCC)c(OC)cc3Br)C(=O)N2CC)cc1 ZINC000252608094 572267912 /nfs/dbraw/zinc/26/79/12/572267912.db2.gz HGDZBPNWDODBRR-ZKPZWDPRSA-N 0 0 505.434 5.879 50 30 KKEARN CCOc1cc(CN=Nc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252607376 572267955 /nfs/dbraw/zinc/26/79/55/572267955.db2.gz HBRIUSQBLIHKFX-UHFFFAOYSA-N 0 0 634.524 7.559 50 30 KKEARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252608310 572268055 /nfs/dbraw/zinc/26/80/55/572268055.db2.gz HINWPVMXKGQCJD-ORCMSOPNSA-N 0 0 546.490 7.122 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)Nc1ccc(Br)cc1 ZINC000252609884 572268142 /nfs/dbraw/zinc/26/81/42/572268142.db2.gz HWZVSJSKSYHWJX-UHFFFAOYSA-N 0 0 593.484 7.708 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4C#N)c(I)c3)SC2=Nc2ccccc2)cc1 ZINC000252610877 572268152 /nfs/dbraw/zinc/26/81/52/572268152.db2.gz IFHIAQRIZRTQBM-XHOAGTOSSA-N 0 0 783.429 8.159 50 30 KKEARN Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000252610348 572268155 /nfs/dbraw/zinc/26/81/55/572268155.db2.gz IAULRVFXORTOGS-SNUSUYNMSA-N 0 0 502.039 7.453 50 30 KKEARN CCOc1ccc(C2=C(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000252609882 572268187 /nfs/dbraw/zinc/26/81/87/572268187.db2.gz HWYZKLULJQDWHD-XIFFEERXSA-N 0 0 555.678 7.530 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(N(C)C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000252610070 572268202 /nfs/dbraw/zinc/26/82/02/572268202.db2.gz HYVYZNNZGZNGKH-VJLXJNPLSA-N 0 0 509.631 6.508 50 30 KKEARN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000252610347 572268217 /nfs/dbraw/zinc/26/82/17/572268217.db2.gz IAULRVFXORTOGS-CSMSQXLJSA-N 0 0 502.039 7.453 50 30 KKEARN COc1ccc(N=C2SC(=NN=c3sc4ccccc4n3C)N(c3ccccc3)C2=Nc2ccc(OC)cc2)cc1 ZINC000252613283 572268402 /nfs/dbraw/zinc/26/84/02/572268402.db2.gz JAMLGSMXQZVMAF-UHFFFAOYSA-N 0 0 578.723 7.143 50 30 KKEARN O=C1NC(=NN=Cc2cc(I)cc(I)c2[O-])S/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000252613726 572268470 /nfs/dbraw/zinc/26/84/70/572268470.db2.gz JDJPBPJIWYJHBR-FEHSFYSRSA-N 0 0 748.960 5.426 50 30 KKEARN COc1cc(-c2nc3ccccn3c2N=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)ccc1O ZINC000252614969 572268541 /nfs/dbraw/zinc/26/85/41/572268541.db2.gz JOIKYZOYTBJLAT-UHFFFAOYSA-N 0 0 548.426 7.361 50 30 KKEARN Oc1ccc(Br)cc1CN=Nc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000252615305 572268595 /nfs/dbraw/zinc/26/85/95/572268595.db2.gz JQZLFUAAVBUBAB-UHFFFAOYSA-N 0 0 559.346 6.197 50 30 KKEARN COc1c(Br)cc(Cl)cc1/C=C1/SC(=Nc2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000252615628 572268733 /nfs/dbraw/zinc/26/87/33/572268733.db2.gz JTTTVTMNMFNFAF-PNVFXWMWSA-N 0 0 555.925 8.153 50 30 KKEARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000252616662 572268751 /nfs/dbraw/zinc/26/87/51/572268751.db2.gz KCZNMSPPSVPATF-VSOGUBEESA-N 0 0 500.064 5.978 50 30 KKEARN O=C(Oc1ccc(Br)cc1C=Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000252616936 572268787 /nfs/dbraw/zinc/26/87/87/572268787.db2.gz KJBOJDFFPZPVOZ-UHFFFAOYSA-N 0 0 501.336 6.994 50 30 KKEARN Cc1c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000252616959 572268802 /nfs/dbraw/zinc/26/88/02/572268802.db2.gz KJMTWMBMXXIHRX-CIAJQKJXSA-N 0 0 509.650 7.684 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000252617954 572269024 /nfs/dbraw/zinc/26/90/24/572269024.db2.gz LCHAJVVVGHCTCX-UHFFFAOYSA-N 0 0 516.189 6.875 50 30 KKEARN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1OC ZINC000252618817 572269112 /nfs/dbraw/zinc/26/91/12/572269112.db2.gz LJYBEPQALDWCQP-KZEROKGQSA-N 0 0 634.552 6.728 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=Nc1ccc(OC)cc1 ZINC000252618393 572269147 /nfs/dbraw/zinc/26/91/47/572269147.db2.gz LFSXNZHFSJNBKX-DKOZXRCPSA-N 0 0 500.451 7.033 50 30 KKEARN COc1ccc(C2=C(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000252619094 572269279 /nfs/dbraw/zinc/26/92/79/572269279.db2.gz LMGJCXHICAQOTG-XIFFEERXSA-N 0 0 571.677 7.148 50 30 KKEARN CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252620182 572269394 /nfs/dbraw/zinc/26/93/94/572269394.db2.gz LYZJXEBPFWBFLY-BFROBPCYSA-N 0 0 527.715 7.640 50 30 KKEARN COc1ccc(N2C(=S)N(C(=O)Oc3ccccc3)C(=Nc3c(C)cccc3C)C23CCCCC3)cc1 ZINC000252620297 572269430 /nfs/dbraw/zinc/26/94/30/572269430.db2.gz MBJWIUDFPMQDRN-UHFFFAOYSA-N 0 0 513.663 7.351 50 30 KKEARN CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccc(Br)c(Cl)c1 ZINC000252621051 572269460 /nfs/dbraw/zinc/26/94/60/572269460.db2.gz MRXDFRUWCNCZIZ-WOZVDNMVSA-N 0 0 531.859 6.897 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Br ZINC000252620911 572269540 /nfs/dbraw/zinc/26/95/40/572269540.db2.gz MPADQZKJXJEYGX-NLEVOZIKSA-N 0 0 550.272 5.474 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC ZINC000252622444 572269700 /nfs/dbraw/zinc/26/97/00/572269700.db2.gz NVKMMELNJKPXDD-XYSSONSLSA-N 0 0 579.560 8.289 50 30 KKEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000252622293 572269732 /nfs/dbraw/zinc/26/97/32/572269732.db2.gz NRXOQAISXVZEMB-UHFFFAOYSA-N 0 0 520.681 6.635 50 30 KKEARN CN1C(=O)/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2cc(Br)cc(Br)c21 ZINC000252622415 572269805 /nfs/dbraw/zinc/26/98/05/572269805.db2.gz NUVSMENRORVGDJ-ZQTUBQERSA-N 0 0 569.278 6.367 50 30 KKEARN COc1ccc(C=NNS(=O)(=O)c2ccc(Br)cc2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000252622821 572269861 /nfs/dbraw/zinc/26/98/61/572269861.db2.gz ODOBSHRFJXXBQB-UHFFFAOYSA-N 0 0 557.442 5.098 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000252622996 572269881 /nfs/dbraw/zinc/26/98/81/572269881.db2.gz OHMQBQOXNLSAGH-XPZANSQGSA-N 0 0 559.518 8.998 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3\c4cc(C)ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252623166 572269917 /nfs/dbraw/zinc/26/99/17/572269917.db2.gz OLLPEKCCZCDMGL-LKDRHFIDSA-N 0 0 569.639 5.504 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)cc3s2)c(C)c1 ZINC000252624695 572270256 /nfs/dbraw/zinc/27/02/56/572270256.db2.gz PSXZKXBRZGGABO-HXUWFJFHSA-N 0 0 560.144 9.005 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1C ZINC000252624485 572270262 /nfs/dbraw/zinc/27/02/62/572270262.db2.gz POTIXKPOTCAOFF-BILWRWLNSA-N 0 0 527.580 6.165 50 30 KKEARN O=[N+]([O-])c1cc(C=NN=c2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(N3CCOCC3)n2)c(Cl)cc1Cl ZINC000252624830 572270280 /nfs/dbraw/zinc/27/02/80/572270280.db2.gz PWDMVGJKHVRGIA-UHFFFAOYSA-N 0 0 557.320 5.132 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3c(O)ccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000252625538 572270443 /nfs/dbraw/zinc/27/04/43/572270443.db2.gz QMFSYEDDKISPON-GTFRVPHDSA-N 0 0 517.676 6.861 50 30 KKEARN CN(C)c1nc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc(NCc2ccccc2)n1 ZINC000252627889 572270771 /nfs/dbraw/zinc/27/07/71/572270771.db2.gz SDMIPGUWXOAUNG-UHFFFAOYSA-N 0 0 545.478 6.306 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000252627750 572270815 /nfs/dbraw/zinc/27/08/15/572270815.db2.gz SAVJXCPFZOXSSM-UHFFFAOYSA-N 0 0 548.022 6.042 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000252628499 572270940 /nfs/dbraw/zinc/27/09/40/572270940.db2.gz SRQKMJDNOIQPSZ-UHFFFAOYSA-N 0 0 530.216 7.183 50 30 KKEARN FC(F)(F)c1cccc(C=NN2c3nonc3N(N=Cc3cccc(C(F)(F)F)c3)c3nonc32)c1 ZINC000252629068 572271007 /nfs/dbraw/zinc/27/10/07/572271007.db2.gz TXVQKSBIOROZQW-UHFFFAOYSA-N 0 0 508.342 5.148 50 30 KKEARN CCCCCn1c2ccccc2nc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000252629117 572271056 /nfs/dbraw/zinc/27/10/56/572271056.db2.gz TYVHPCBMCFTJQX-MGBGTMOVSA-N 0 0 511.673 8.333 50 30 KKEARN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N=Cc3c(Cl)cccc3Cl)cc2s1 ZINC000252629425 572271131 /nfs/dbraw/zinc/27/11/31/572271131.db2.gz UFOHVZXGUNUAKM-UHFFFAOYSA-N 0 0 500.476 7.701 50 30 KKEARN C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)c1ccccc1 ZINC000252631114 572271480 /nfs/dbraw/zinc/27/14/80/572271480.db2.gz VIEYZFXQTPXFTM-GSYMIQAYSA-N 0 0 549.708 5.019 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O ZINC000252633534 572271611 /nfs/dbraw/zinc/27/16/11/572271611.db2.gz WEBXXJQKIYWZRI-UHFFFAOYSA-N 0 0 595.085 7.637 50 30 KKEARN CC(=NOCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1)c1ccc(Br)cc1 ZINC000252632275 572271613 /nfs/dbraw/zinc/27/16/13/572271613.db2.gz VSHVJLCNHKMVBV-UHFFFAOYSA-N 0 0 538.405 6.908 50 30 KKEARN COc1cc(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252634818 572271734 /nfs/dbraw/zinc/27/17/34/572271734.db2.gz WRIXVQMXOMNXSC-UHFFFAOYSA-N 0 0 558.934 7.825 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252635074 572271735 /nfs/dbraw/zinc/27/17/35/572271735.db2.gz WUOUWTSCUSXIRE-AIMMPNMZSA-N 0 0 501.405 7.518 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(CC)C2=O)ccc1OCc1cccc(C)c1 ZINC000252636313 572271856 /nfs/dbraw/zinc/27/18/56/572271856.db2.gz XGTUYKQLYYJGNO-SOCIUCRNSA-N 0 0 500.664 7.213 50 30 KKEARN COc1cc(OC(=O)c2cccc(Br)c2)ccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252635499 572271897 /nfs/dbraw/zinc/27/18/97/572271897.db2.gz WXFQPERVNVPUNB-UHFFFAOYSA-N 0 0 594.514 5.289 50 30 KKEARN Brc1ccc2[nH]cc(CN=Nc3nc(N=NCc4c[nH]c5ccc(Br)cc45)nc(N(c4ccccc4)c4ccccc4)n3)c2c1 ZINC000252636565 572271974 /nfs/dbraw/zinc/27/19/74/572271974.db2.gz XKFSFIULGWPBDB-UHFFFAOYSA-N 0 0 720.433 8.721 50 30 KKEARN Cc1ccccc1OCCOc1ccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1 ZINC000252636945 572271985 /nfs/dbraw/zinc/27/19/85/572271985.db2.gz XODHAIIBOAAXKK-UHFFFAOYSA-N 0 0 514.674 5.669 50 30 KKEARN CCOC(=O)c1c(N=Cc2ccc(C)cc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000252639335 572272112 /nfs/dbraw/zinc/27/21/12/572272112.db2.gz YJPCBKNINLUPAE-UHFFFAOYSA-N 0 0 501.604 7.046 50 30 KKEARN CCn1c2ccccc2c2cc(N=C3S[C@H](CC(=O)Nc4ccc(I)cc4)C(=O)N3CC)ccc21 ZINC000252640417 572272246 /nfs/dbraw/zinc/27/22/46/572272246.db2.gz YTJGAEUXBJVUAX-XMMPIXPASA-N 0 0 596.494 6.399 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)o1 ZINC000252639808 572272252 /nfs/dbraw/zinc/27/22/52/572272252.db2.gz YNXSWFNWLGZCRK-IEXRNCSJSA-N 0 0 525.586 7.289 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1cccc(I)c1 ZINC000252640047 572272269 /nfs/dbraw/zinc/27/22/69/572272269.db2.gz YPZDXINFQWICDK-UHFFFAOYSA-N 0 0 611.488 5.122 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NN=C2NC(=O)[C@@H](C(C)C)S2)cc1Cl ZINC000252639699 572272278 /nfs/dbraw/zinc/27/22/78/572272278.db2.gz YMWNIHGZLVVQFU-JOCHJYFZSA-N 0 0 516.044 5.147 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3ccccc3OCC(=O)N3CCOCC3)C(=O)N2Cc2ccccc2)cc1 ZINC000252641850 572272354 /nfs/dbraw/zinc/27/23/54/572272354.db2.gz ZGUXMERUQCTZGT-BOJSJVFISA-N 0 0 527.646 5.037 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3OCc3ccccc3C#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252667369 572273655 /nfs/dbraw/zinc/27/36/55/572273655.db2.gz CWTVXTCNKMQQQO-HHHXNRCGSA-N 0 0 805.407 5.597 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252667418 572273683 /nfs/dbraw/zinc/27/36/83/572273683.db2.gz DBTRHCZLBQNKOC-KDXMTYKHSA-N 0 0 786.704 7.319 50 30 KKEARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252669072 572274469 /nfs/dbraw/zinc/27/44/69/572274469.db2.gz GKLKWQAQBYCWCJ-MHZLTWQESA-N 0 0 632.714 5.222 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n21 ZINC000252670520 572276110 /nfs/dbraw/zinc/27/61/10/572276110.db2.gz KWJDXLFAMNRXIQ-MGBGTMOVSA-N 0 0 608.691 5.713 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252671105 572276618 /nfs/dbraw/zinc/27/66/18/572276618.db2.gz MRXJYITXCURKHD-MUUNZHRXSA-N 0 0 646.741 5.612 50 30 KKEARN C#CCOc1cc(Br)c(C=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(C)=O)=C(c2ccccc2)N=3)cc1OCC ZINC000252677185 572280631 /nfs/dbraw/zinc/28/06/31/572280631.db2.gz YEVPGNCIZARDBR-SSEXGKCCSA-N 0 0 613.533 5.135 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1NC(C)=O ZINC000252693099 572281595 /nfs/dbraw/zinc/28/15/95/572281595.db2.gz 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PRZAVOWQMAAVJS-QHCPKHFHSA-N 0 0 673.493 7.432 50 30 KKEARN CCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)NC1=O ZINC000245284252 1072831134 /nfs/dbraw/zinc/83/11/34/1072831134.db2.gz QXMHNIJKLPFSGG-XMMPIXPASA-N 0 0 550.146 6.560 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000095100483 1072832953 /nfs/dbraw/zinc/83/29/53/1072832953.db2.gz FOHBKEGDBOPXFE-YPMHNXCESA-N 0 0 643.246 6.674 50 30 KKEARN CCOc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000097658467 1072835495 /nfs/dbraw/zinc/83/54/95/1072835495.db2.gz BYGYJIRJJIYJHF-ZCVQUTFNSA-N 0 0 518.541 5.137 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)CCC/C1=C/c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000097976792 1072836791 /nfs/dbraw/zinc/83/67/91/1072836791.db2.gz KOKOVKGMNZMUAH-SHMBRFTLSA-N 0 0 676.909 9.004 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C1 ZINC000097981387 1072838686 /nfs/dbraw/zinc/83/86/86/1072838686.db2.gz ZJNOTHDAFXTGTR-ZZDPWUPLSA-N 0 0 594.340 7.522 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)cc1 ZINC000254288605 1072843344 /nfs/dbraw/zinc/84/33/44/1072843344.db2.gz FDKYCMGPAVHKCA-UHFFFAOYSA-N 0 0 554.738 5.249 50 30 KKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)N=C3N=CC(=NNc4cccc(C(F)(F)F)c4)S3)cc12 ZINC000254293625 1072844151 /nfs/dbraw/zinc/84/41/51/1072844151.db2.gz XTZZNUMRWHPACH-UHFFFAOYSA-N 0 0 512.542 6.154 50 30 KKEARN O=[N+]([O-])c1ccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254301286 1072845428 /nfs/dbraw/zinc/84/54/28/1072845428.db2.gz CAXNUAHVFOHLJR-QTZCODBCSA-N 0 0 579.701 5.879 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254305362 1072846285 /nfs/dbraw/zinc/84/62/85/1072846285.db2.gz OHXRLNYYOMKKLZ-UHFFFAOYSA-N 0 0 581.417 6.187 50 30 KKEARN Cc1c(N=c2scc(-c3ccc(F)cc3)n2N=Cc2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C ZINC000254341369 1072847793 /nfs/dbraw/zinc/84/77/93/1072847793.db2.gz LCUZWZVIQLPQJK-UHFFFAOYSA-N 0 0 508.582 5.140 50 30 KKEARN Cc1ccc(C=Nn2c(-c3ccc(-c4ccccc4)cc3)csc2=Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 ZINC000254347209 1072848410 /nfs/dbraw/zinc/84/84/10/1072848410.db2.gz AWLZGTLMICVIDT-UHFFFAOYSA-N 0 0 566.752 6.865 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(NN=C3c4ccccc4N(CCC(C)C)C3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000254383341 1072850309 /nfs/dbraw/zinc/85/03/09/1072850309.db2.gz FWTDHBMJPVSLEN-UHFFFAOYSA-N 0 0 535.626 5.221 50 30 KKEARN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000254386789 1072850844 /nfs/dbraw/zinc/85/08/44/1072850844.db2.gz MQZVPFILRVNRKF-HZPDHXFCSA-N 0 0 508.497 5.237 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000254398604 1072853011 /nfs/dbraw/zinc/85/30/11/1072853011.db2.gz MCBHRKBMEPQQDI-UHFFFAOYSA-N 0 0 540.520 7.304 50 30 KKEARN Fc1ccc(N=c2scc(-c3ccc(OC(F)F)cc3)n2N=Cc2ccc3c(c2)OCO3)c(F)c1 ZINC000254411428 1072854599 /nfs/dbraw/zinc/85/45/99/1072854599.db2.gz MXNXGROMQPYEIP-UHFFFAOYSA-N 0 0 501.461 5.940 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c3)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000254499144 1072859795 /nfs/dbraw/zinc/85/97/95/1072859795.db2.gz JHJMNGATKURBEL-DAUDUFECSA-N 0 0 689.756 8.149 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1cccc(Oc2ccccc2)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000254573303 1072864703 /nfs/dbraw/zinc/86/47/03/1072864703.db2.gz PFYWQNXUNFTYPP-UHFFFAOYSA-N 0 0 531.615 8.301 50 30 KKEARN CC(C)c1ccc(NC(=S)NN=Cc2cccc(C=NNC(=S)Nc3ccc(C(C)C)cc3)c2)cc1 ZINC000254583949 1072865234 /nfs/dbraw/zinc/86/52/34/1072865234.db2.gz VOIXTPBTHJXREG-UHFFFAOYSA-N 0 0 516.740 6.574 50 30 KKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)N=C3N=C4C=CC(Br)=CN4Cc4ccccc43)cc12 ZINC000254592969 1072865694 /nfs/dbraw/zinc/86/56/94/1072865694.db2.gz JAHJOAWUXQQWAM-UHFFFAOYSA-N 0 0 528.435 6.003 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2I)[C@H]1c1ccccc1 ZINC000254629519 1072868742 /nfs/dbraw/zinc/86/87/42/1072868742.db2.gz GFCJSGDWIPHTAE-GVAUOCQISA-N 0 0 527.365 5.575 50 30 KKEARN CCOc1ccc(N=c2scc(-c3ccc(OC)cc3OC)n2N=Cc2ccc(N(CC)Cc3ccccc3)cc2)cc1 ZINC000254758093 1072876849 /nfs/dbraw/zinc/87/68/49/1072876849.db2.gz LHSRQYVVTUWSJZ-UHFFFAOYSA-N 0 0 592.765 7.774 50 30 KKEARN COc1ccc(N=C2S[C@@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1 ZINC000254826660 1072882190 /nfs/dbraw/zinc/88/21/90/1072882190.db2.gz HGJYKBCAJGVDPQ-DEOSSOPVSA-N 0 0 517.529 6.078 50 30 KKEARN CC(C)N=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000254832820 1072882621 /nfs/dbraw/zinc/88/26/21/1072882621.db2.gz OXRPMKMCNPFGTH-UHFFFAOYSA-N 0 0 566.643 5.940 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(C(=O)c2ccccc2)cc1 ZINC000254828629 1072882741 /nfs/dbraw/zinc/88/27/41/1072882741.db2.gz RGISNCNCEFMXMZ-UHFFFAOYSA-N 0 0 543.364 5.565 50 30 KKEARN Cc1c(N=c2scc(-c3cc4ccccc4o3)n2N=Cc2ccsc2)c(=O)n(-c2ccccc2)n1C ZINC000254860951 1072886056 /nfs/dbraw/zinc/88/60/56/1072886056.db2.gz WXXNPFNJDNWWSF-UHFFFAOYSA-N 0 0 511.632 5.937 50 30 KKEARN COC(=O)c1ccc(C=Nc2ccc(CCc3ccc(N=Cc4ccc(C(=O)OC)cc4)cc3)cc2)cc1 ZINC000254866056 1072886078 /nfs/dbraw/zinc/88/60/78/1072886078.db2.gz XFJWHDQEAXHQES-UHFFFAOYSA-N 0 0 504.586 6.546 50 30 KKEARN C(=NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000254868437 1072886908 /nfs/dbraw/zinc/88/69/08/1072886908.db2.gz UQUNROSUHFSNOY-UOWWKBCQSA-N 0 0 534.704 5.970 50 30 KKEARN CC(C)(C)CC(C)(C)c1ccc(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576174 1072900984 /nfs/dbraw/zinc/90/09/84/1072900984.db2.gz UVYLSTINGVQHHQ-INIZCTEOSA-N 0 0 518.363 7.341 50 30 KKEARN O=C(N1CCCCC1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576207 1072901110 /nfs/dbraw/zinc/90/11/10/1072901110.db2.gz NAAVGJAQOMZPSW-APPZFPTMSA-N 0 0 563.204 5.872 50 30 KKEARN C=C[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@]1(OCOCC[Si](C)(C)C)[C@H]1CC=C2CC[C@@H]([C@@H](OCOC)C(=O)C1)C2(C)C ZINC001501064167 1072922781 /nfs/dbraw/zinc/92/27/81/1072922781.db2.gz WMLHSPMGSAOJIP-BVMQYTHTSA-N 0 0 616.868 6.694 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000000647392 193863798 /nfs/dbraw/zinc/86/37/98/193863798.db2.gz QRMXUSYMBVBOCK-YUDQIZAISA-N 0 0 529.633 5.858 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000648378 193865300 /nfs/dbraw/zinc/86/53/00/193865300.db2.gz LIHMQVYGQWLRBT-RBTNQOKQSA-N 0 0 521.679 5.987 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650014 193867961 /nfs/dbraw/zinc/86/79/61/193867961.db2.gz BEWKAZPXRCNMTA-CBZJRKILSA-N 0 0 586.479 5.408 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000000648997 193866385 /nfs/dbraw/zinc/86/63/85/193866385.db2.gz DEEIWLSWMNPQEN-WGDIFIGCSA-N 0 0 556.453 5.400 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650231 193868302 /nfs/dbraw/zinc/86/83/02/193868302.db2.gz LBQQRZPBKRFDNZ-XYFQYJLHSA-N 0 0 581.665 5.638 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000006197646 193870552 /nfs/dbraw/zinc/87/05/52/193870552.db2.gz VKWWBOPOKPOMRS-AFPDSDBBSA-N 0 0 503.639 5.970 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000019770167 193884003 /nfs/dbraw/zinc/88/40/03/193884003.db2.gz ZEVHMAXLBCHXNY-SKCUWOTOSA-N 0 0 515.009 5.719 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770460 193884370 /nfs/dbraw/zinc/88/43/70/193884370.db2.gz LNVGPQZWGATCEC-GIGWZHCTSA-N 0 0 508.574 5.742 50 30 KKEARN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccc(I)cc1 ZINC000100384527 193911220 /nfs/dbraw/zinc/91/12/20/193911220.db2.gz DOAXUNIDTPMRHZ-MUFRIFMGSA-N 0 0 569.244 7.014 50 30 KKEARN C[C@@H]1CCC[C@H](N2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)[C@@H]1C ZINC000102757280 193917005 /nfs/dbraw/zinc/91/70/05/193917005.db2.gz VCISHJJEVWFBJA-GFOBUWDQSA-N 0 0 544.536 6.046 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000647911 551508873 /nfs/dbraw/zinc/50/88/73/551508873.db2.gz OQUUNYCTZDPFOB-NFQMXDRXSA-N 0 0 507.652 5.739 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccccc2Br)cc1OC ZINC000000648030 551509100 /nfs/dbraw/zinc/50/91/00/551509100.db2.gz PEAINFBOUYIZPL-DWXRJYCRSA-N 0 0 540.454 5.780 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000000648371 551509557 /nfs/dbraw/zinc/50/95/57/551509557.db2.gz ORBZVUZXLMPVFM-ZOGCEEFFSA-N 0 0 535.637 5.424 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649199 551510664 /nfs/dbraw/zinc/51/06/64/551510664.db2.gz DBRALEWLKSXVJD-CPJLOUKISA-N 0 0 572.452 5.018 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000000649213 551510676 /nfs/dbraw/zinc/51/06/76/551510676.db2.gz PDDNTAHRDPMZNX-CPJLOUKISA-N 0 0 542.426 5.010 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649206 551510693 /nfs/dbraw/zinc/51/06/93/551510693.db2.gz DBRALEWLKSXVJD-LMKMVOKYSA-N 0 0 572.452 5.018 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000000649680 551511335 /nfs/dbraw/zinc/51/13/35/551511335.db2.gz JFSQIPRICPAPOJ-QUGAMOGWSA-N 0 0 586.479 5.494 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650263 551512122 /nfs/dbraw/zinc/51/21/22/551512122.db2.gz XUIZGBAPIGJSPZ-ZTOMLWHTSA-N 0 0 545.632 5.338 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650253 551512123 /nfs/dbraw/zinc/51/21/23/551512123.db2.gz XUIZGBAPIGJSPZ-KPURRNSFSA-N 0 0 545.632 5.338 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650278 551512131 /nfs/dbraw/zinc/51/21/31/551512131.db2.gz DWFWIFZLYUYJHW-UGDMGKLASA-N 0 0 575.658 5.485 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000000654802 551513613 /nfs/dbraw/zinc/51/36/13/551513613.db2.gz RWMYOLWXMUBMTQ-DEOSSOPVSA-N 0 0 530.499 5.724 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000000659217 551514861 /nfs/dbraw/zinc/51/48/61/551514861.db2.gz ZJHCYXHTUPLJTJ-OWJWWREXSA-N 0 0 544.829 5.756 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000000665653 551517003 /nfs/dbraw/zinc/51/70/03/551517003.db2.gz AADRERZOJIKBCF-UHFFFAOYSA-N 0 0 556.703 6.384 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665758 551517225 /nfs/dbraw/zinc/51/72/25/551517225.db2.gz UKZKDPJPBRNHMY-UHFFFAOYSA-N 0 0 549.067 6.108 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C2=C1CCCC2=O ZINC000000665826 551517454 /nfs/dbraw/zinc/51/74/54/551517454.db2.gz GJWXCZMSYGBDBD-UHFFFAOYSA-N 0 0 549.465 5.900 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 ZINC000000665795 551517477 /nfs/dbraw/zinc/51/74/77/551517477.db2.gz HPEBMBAJAFSBGY-UHFFFAOYSA-N 0 0 579.491 5.875 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000672231 551519484 /nfs/dbraw/zinc/51/94/84/551519484.db2.gz IJBJLRXIGQWDIZ-SFRLIIPVSA-N 0 0 514.625 7.186 50 30 KKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000673098 551519793 /nfs/dbraw/zinc/51/97/93/551519793.db2.gz VUVZZLDNMPHKOR-DFBJGRDBSA-N 0 0 518.444 6.697 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000000673665 551520112 /nfs/dbraw/zinc/52/01/12/551520112.db2.gz FBUPLOZFORTREZ-AREMUKBSSA-N 0 0 510.030 6.095 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000674199 551520875 /nfs/dbraw/zinc/52/08/75/551520875.db2.gz FJUMWPFHGOCJKP-AFJIDDCJSA-N 0 0 513.550 5.533 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000674201 551520951 /nfs/dbraw/zinc/52/09/51/551520951.db2.gz FJUMWPFHGOCJKP-WRONEBCDSA-N 0 0 513.550 5.533 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678786 551522683 /nfs/dbraw/zinc/52/26/83/551522683.db2.gz YORZBMDTOACWSG-KEEVHDRGSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(Br)c2)cc1OC ZINC000000678854 551522695 /nfs/dbraw/zinc/52/26/95/551522695.db2.gz JUORSNZWLMWSCP-NIYFSFCBSA-N 0 0 540.454 5.780 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000000679046 551523081 /nfs/dbraw/zinc/52/30/81/551523081.db2.gz TVLKHBHGDUHJNK-SMSORMJASA-N 0 0 525.601 6.031 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OC)cc1OC ZINC000000679056 551523099 /nfs/dbraw/zinc/52/30/99/551523099.db2.gz RSPNSLQPABQWON-ACSYHNTCSA-N 0 0 517.622 5.560 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OC1CCCC1 ZINC000000679307 551523425 /nfs/dbraw/zinc/52/34/25/551523425.db2.gz PWGSWMZFYWXCAQ-UHFFFAOYSA-N 0 0 501.417 6.297 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000679270 551523433 /nfs/dbraw/zinc/52/34/33/551523433.db2.gz RGHDKRJFVZXCPO-BXKMTCNYSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1C(N)=O ZINC000000680028 551523720 /nfs/dbraw/zinc/52/37/20/551523720.db2.gz FTWDDMKRXIITOH-LJAQVGFWSA-N 0 0 580.685 5.319 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000681739 551524576 /nfs/dbraw/zinc/52/45/76/551524576.db2.gz QSGYSFROCRAIND-YHAMSUFESA-N 0 0 521.411 6.151 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000000682862 551524977 /nfs/dbraw/zinc/52/49/77/551524977.db2.gz NGSBXDCXCIRIMC-MHZLTWQESA-N 0 0 545.433 6.635 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000000688440 551526439 /nfs/dbraw/zinc/52/64/39/551526439.db2.gz FKIJNTSYNQKBLL-HXUWFJFHSA-N 0 0 517.767 5.012 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000689597 551527066 /nfs/dbraw/zinc/52/70/66/551527066.db2.gz SGELMRWIGVQZGN-HMILPKGGSA-N 0 0 530.571 5.982 50 30 KKEARN N#Cc1ccc(NC(=O)N(CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)C[C@H]2CCCO2)cc1 ZINC000000699588 551528954 /nfs/dbraw/zinc/52/89/54/551528954.db2.gz GBMPTRNZZWNEDV-XMMPIXPASA-N 0 0 506.603 5.001 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000702743 551529716 /nfs/dbraw/zinc/52/97/16/551529716.db2.gz LSHVXYGVMNPRSV-AHWVRZQESA-N 0 0 503.982 5.676 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000000703082 551530261 /nfs/dbraw/zinc/53/02/61/551530261.db2.gz MIBIHBPXAFUHKK-MUUNZHRXSA-N 0 0 523.541 5.408 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000000703174 551530672 /nfs/dbraw/zinc/53/06/72/551530672.db2.gz BCLDSGAKQICUID-URAOTHONSA-N 0 0 532.596 5.763 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000000710607 551533076 /nfs/dbraw/zinc/53/30/76/551533076.db2.gz BRUZQMHBHJZKLJ-DNOBIOAJSA-N 0 0 505.412 6.446 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(Br)ccc4O)cc3s2)cc1 ZINC000000714030 551533850 /nfs/dbraw/zinc/53/38/50/551533850.db2.gz HSXUCNLFZWKFLE-RPPGKUMJSA-N 0 0 540.464 6.448 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000715995 551534284 /nfs/dbraw/zinc/53/42/84/551534284.db2.gz DROPSORQYIJUKU-DEOSSOPVSA-N 0 0 501.501 5.434 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1OC ZINC000000717207 551534629 /nfs/dbraw/zinc/53/46/29/551534629.db2.gz FXFVVTXYOXEOBY-DEXQXJORSA-N 0 0 549.421 6.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000716694 551534688 /nfs/dbraw/zinc/53/46/88/551534688.db2.gz KWQOLQPLGWSUDU-WRGVRERRSA-N 0 0 514.578 5.617 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000000717706 551534748 /nfs/dbraw/zinc/53/47/48/551534748.db2.gz KRRRUTIPWDHYTP-GKVSMKOHSA-N 0 0 511.640 5.335 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000000717705 551534752 /nfs/dbraw/zinc/53/47/52/551534752.db2.gz KRRRUTIPWDHYTP-SSOJOUAXSA-N 0 0 511.640 5.335 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000000719943 551536571 /nfs/dbraw/zinc/53/65/71/551536571.db2.gz JDFUREILPWEIOS-PKHCJMHPSA-N 0 0 558.631 6.016 50 30 KKEARN CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000720029 551536596 /nfs/dbraw/zinc/53/65/96/551536596.db2.gz JZOXXKYQJHQKSF-XBBWARJSSA-N 0 0 500.595 6.091 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000781362 551541989 /nfs/dbraw/zinc/54/19/89/551541989.db2.gz WERTVQKMNOZOJA-FWUCURJTSA-N 0 0 539.628 5.817 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000000797894 551543193 /nfs/dbraw/zinc/54/31/93/551543193.db2.gz UWNSODAXIAXQBH-XMMPIXPASA-N 0 0 546.963 5.577 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(OC)c2OC)cc1 ZINC000000801110 551543385 /nfs/dbraw/zinc/54/33/85/551543385.db2.gz SADVFWXDYIBPGF-WBBHLRKXSA-N 0 0 553.655 5.860 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000000801123 551543449 /nfs/dbraw/zinc/54/34/49/551543449.db2.gz QCLBTILWSZSRMP-XJFCNFDWSA-N 0 0 523.629 5.851 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000801120 551543479 /nfs/dbraw/zinc/54/34/79/551543479.db2.gz DYNPIJUEKBZQGX-SMSORMJASA-N 0 0 552.583 5.471 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000000843755 551547656 /nfs/dbraw/zinc/54/76/56/551547656.db2.gz SRDXIOVTARPBAS-MUUNZHRXSA-N 0 0 591.668 5.234 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000848099 551549389 /nfs/dbraw/zinc/54/93/89/551549389.db2.gz HXALGTPNFRXQHM-DLLPINGYSA-N 0 0 539.628 5.905 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000000848060 551549397 /nfs/dbraw/zinc/54/93/97/551549397.db2.gz FIQHTMZZRQPVHW-CCLHPLFOSA-N 0 0 510.030 6.005 50 30 biogenic,in-vitro KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000861037 551551048 /nfs/dbraw/zinc/55/10/48/551551048.db2.gz XONPCGYGGUGLMB-PIIWDFAUSA-N 0 0 501.579 5.271 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000000861381 551551278 /nfs/dbraw/zinc/55/12/78/551551278.db2.gz YUNIIDWXEBEALJ-LGGPFLRQSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000861488 551551524 /nfs/dbraw/zinc/55/15/24/551551524.db2.gz PCNVRXKFYOQXIS-URAOTHONSA-N 0 0 561.675 5.959 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000000861394 551551562 /nfs/dbraw/zinc/55/15/62/551551562.db2.gz FKTHINREAMZRNK-CCLHPLFOSA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000861489 551551578 /nfs/dbraw/zinc/55/15/78/551551578.db2.gz PCNVRXKFYOQXIS-JRPXNJEYSA-N 0 0 561.675 5.959 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863442 551551885 /nfs/dbraw/zinc/55/18/85/551551885.db2.gz JHSGQGPAPKWLBQ-GYCJOSAFSA-N 0 0 502.394 5.545 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000863503 551552005 /nfs/dbraw/zinc/55/20/05/551552005.db2.gz XEQSKYFSQLGDNA-IQMFZBJNSA-N 0 0 502.394 5.545 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863529 551552011 /nfs/dbraw/zinc/55/20/11/551552011.db2.gz ZLMROMGHSUDRPB-NGOKVRLYSA-N 0 0 532.593 5.459 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000863504 551552030 /nfs/dbraw/zinc/55/20/30/551552030.db2.gz XEQSKYFSQLGDNA-CMJOXMDJSA-N 0 0 502.394 5.545 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000000863486 551552033 /nfs/dbraw/zinc/55/20/33/551552033.db2.gz NNCIYBVLMPEWSO-OYLFLEFRSA-N 0 0 502.394 5.545 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863530 551552324 /nfs/dbraw/zinc/55/23/24/551552324.db2.gz ZLMROMGHSUDRPB-WTYVLRPYSA-N 0 0 532.593 5.459 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccncc1 ZINC000000949872 551588894 /nfs/dbraw/zinc/58/88/94/551588894.db2.gz REIUBZGRZJDDKY-UHFFFAOYSA-N 0 0 516.574 5.323 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000949876 551588912 /nfs/dbraw/zinc/58/89/12/551588912.db2.gz LBNHYXVMVCLHEG-UHFFFAOYSA-N 0 0 570.538 5.892 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)c1 ZINC000000959829 551589963 /nfs/dbraw/zinc/58/99/63/551589963.db2.gz GAUUCAOCMOUXDF-OAQYLSRUSA-N 0 0 510.015 5.297 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959781 551590132 /nfs/dbraw/zinc/59/01/32/551590132.db2.gz NSZNXWZEHSQGLR-JOCHJYFZSA-N 0 0 521.614 5.419 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000970722 551590641 /nfs/dbraw/zinc/59/06/41/551590641.db2.gz UOTNZHGSFWZXOM-ODIGAKIWSA-N 0 0 505.611 5.416 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000000976847 551591036 /nfs/dbraw/zinc/59/10/36/551591036.db2.gz AVGGARYPVPEIMQ-MNUVWUGUSA-N 0 0 505.611 5.416 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000000985919 551592487 /nfs/dbraw/zinc/59/24/87/551592487.db2.gz UCEDUESVBAWLLV-HMILPKGGSA-N 0 0 566.576 6.484 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000000997760 551595128 /nfs/dbraw/zinc/59/51/28/551595128.db2.gz KZEZSTFNORGPBD-PMERELPUSA-N 0 0 531.052 6.743 50 30 KKEARN C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1I ZINC000000997741 551595157 /nfs/dbraw/zinc/59/51/57/551595157.db2.gz ACUGHVWGLYQBAW-UHFFFAOYSA-N 0 0 539.830 5.065 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000001025621 551597612 /nfs/dbraw/zinc/59/76/12/551597612.db2.gz CKTVGHSEPCZJQC-IBGZPJMESA-N 0 0 532.341 5.826 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000001031829 551598108 /nfs/dbraw/zinc/59/81/08/551598108.db2.gz IOYBXQBHUKEZLA-FKHVSLRWSA-N 0 0 512.609 6.347 50 30 KKEARN Cc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(-c2ccncc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000001049975 551599738 /nfs/dbraw/zinc/59/97/38/551599738.db2.gz KPXHTMZYUHRSPL-UHFFFAOYSA-N 0 0 529.021 6.065 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000001058488 551600509 /nfs/dbraw/zinc/60/05/09/551600509.db2.gz XDSTXLZTKAXKQP-WKULSOCRSA-N 0 0 548.093 6.229 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C)c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001062381 551601177 /nfs/dbraw/zinc/60/11/77/551601177.db2.gz GZRKZYVZINFXQY-DEOSSOPVSA-N 0 0 520.626 5.001 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001074821 551603857 /nfs/dbraw/zinc/60/38/57/551603857.db2.gz NOHXMHOSCKNPCA-CCLHPLFOSA-N 0 0 520.050 6.515 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000001074824 551603872 /nfs/dbraw/zinc/60/38/72/551603872.db2.gz OQDOLAFSMFNPNF-UHFFFAOYSA-N 0 0 517.449 5.244 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001074819 551603879 /nfs/dbraw/zinc/60/38/79/551603879.db2.gz NOHXMHOSCKNPCA-HRFSGMKKSA-N 0 0 520.050 6.515 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1coc2ccccc2c1=O ZINC000001074843 551603901 /nfs/dbraw/zinc/60/39/01/551603901.db2.gz UIGMDBNXBLASND-SLQAJWMNSA-N 0 0 525.601 5.649 50 30 KKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000001077403 551604900 /nfs/dbraw/zinc/60/49/00/551604900.db2.gz AEZHJBDXAWWMLI-XBBWARJSSA-N 0 0 500.595 6.091 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000001082083 551605891 /nfs/dbraw/zinc/60/58/91/551605891.db2.gz ZXNCQEVWDZYXPJ-QXNWPYRLSA-N 0 0 523.629 6.199 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001082746 551606250 /nfs/dbraw/zinc/60/62/50/551606250.db2.gz AYQMENXVDLFJKG-CHAGWJKLSA-N 0 0 551.437 6.160 50 30 biogenic,in-vitro KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000001085027 551606279 /nfs/dbraw/zinc/60/62/79/551606279.db2.gz SDTZXIWSFHGHMC-AREMUKBSSA-N 0 0 504.583 5.649 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000001087524 551606647 /nfs/dbraw/zinc/60/66/47/551606647.db2.gz TVRHUWSWNHNJLE-QTEAWJPNSA-N 0 0 508.574 6.098 50 30 biogenic KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccs1 ZINC000001111161 551611398 /nfs/dbraw/zinc/61/13/98/551611398.db2.gz QXNFUQRIHFCZPE-SONOPUAISA-N 0 0 530.646 5.774 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1cc(Br)ccc1O ZINC000001117409 551612277 /nfs/dbraw/zinc/61/22/77/551612277.db2.gz INJIUSJEPGAKLL-UHFFFAOYSA-N 0 0 542.484 5.762 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000001118966 551612480 /nfs/dbraw/zinc/61/24/80/551612480.db2.gz GMADZTYVWKIUNM-AWEZNQCLSA-N 0 0 523.968 5.358 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001132138 551615965 /nfs/dbraw/zinc/61/59/65/551615965.db2.gz ZNOJXNMKRIELNN-WTYVLRPYSA-N 0 0 513.546 5.122 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)cc1Br ZINC000001140821 551616860 /nfs/dbraw/zinc/61/68/60/551616860.db2.gz BEXWGMIAOUADRX-OYLFLEFRSA-N 0 0 546.483 5.841 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000001141095 551617046 /nfs/dbraw/zinc/61/70/46/551617046.db2.gz DCLDAEUWWJDOOY-XMHCIUCPSA-N 0 0 518.429 5.062 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000001141092 551617130 /nfs/dbraw/zinc/61/71/30/551617130.db2.gz DCLDAEUWWJDOOY-MCMMXHMISA-N 0 0 518.429 5.062 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000001178700 551620675 /nfs/dbraw/zinc/62/06/75/551620675.db2.gz HDPIVSMPIGAEOR-DFXYEROKSA-N 0 0 500.042 6.717 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1OC ZINC000001194367 551622374 /nfs/dbraw/zinc/62/23/74/551622374.db2.gz YOCGHQJKMDMKMA-UHFFFAOYSA-N 0 0 535.422 5.282 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000001202531 551623880 /nfs/dbraw/zinc/62/38/80/551623880.db2.gz LIHYXEHTTMJYSB-DJUQAAIZSA-N 0 0 544.047 6.202 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001243362 551631217 /nfs/dbraw/zinc/63/12/17/551631217.db2.gz HZRWOUGQXZJOQN-UHFFFAOYSA-N 0 0 543.048 6.574 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001244302 551631253 /nfs/dbraw/zinc/63/12/53/551631253.db2.gz ONKVTZZPWUNRNQ-UHFFFAOYSA-N 0 0 542.705 5.934 50 30 KKEARN COc1cc(C2C3=C(C[C@@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000001249462 551632208 /nfs/dbraw/zinc/63/22/08/551632208.db2.gz XMPWDVACIJMLCT-GOTSBHOMSA-N 0 0 536.624 6.628 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000001251407 551632573 /nfs/dbraw/zinc/63/25/73/551632573.db2.gz ZMMCEEQHVPVEIL-KCEHZKJRSA-N 0 0 554.687 6.930 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccc(OC)cc2)cc1 ZINC000001260920 551633546 /nfs/dbraw/zinc/63/35/46/551633546.db2.gz BBVJBOLNYTZNON-VUVCMLNUSA-N 0 0 553.619 5.250 50 30 KKEARN CCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000001261121 551633613 /nfs/dbraw/zinc/63/36/13/551633613.db2.gz JWHPNEHFOAMISW-GDJIYFAZSA-N 0 0 536.550 6.557 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CSc5nc6ccccc6s5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001271904 551634982 /nfs/dbraw/zinc/63/49/82/551634982.db2.gz CMHMWCNZZBUXSO-QHCPKHFHSA-N 0 0 555.685 6.202 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CSc5nc6ccccc6o5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001277551 551636051 /nfs/dbraw/zinc/63/60/51/551636051.db2.gz SAQBUHDNGZXZCG-XMMPIXPASA-N 0 0 569.643 5.743 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001278776 551636052 /nfs/dbraw/zinc/63/60/52/551636052.db2.gz VAIQPVOFJXFCAX-QFIPXVFZSA-N 0 0 551.430 6.283 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000001301428 551638195 /nfs/dbraw/zinc/63/81/95/551638195.db2.gz ZYWGIEIWAWOAQJ-XJFCNFDWSA-N 0 0 548.664 7.058 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000001409570 551663929 /nfs/dbraw/zinc/66/39/29/551663929.db2.gz FOCITIUZAJEGEH-NFQMXDRXSA-N 0 0 506.524 6.467 50 30 KKEARN O=C(COc1ccccc1)OC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000001410070 551664475 /nfs/dbraw/zinc/66/44/75/551664475.db2.gz CEHNWBYWHRQZKE-UHFFFAOYSA-N 0 0 525.582 5.065 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001411040 551664742 /nfs/dbraw/zinc/66/47/42/551664742.db2.gz OHFFRYBPKRXGDP-AREMUKBSSA-N 0 0 545.433 6.150 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2Cl)cc1 ZINC000001411031 551664794 /nfs/dbraw/zinc/66/47/94/551664794.db2.gz VOLMEDNLRCGSAA-SANMLTNESA-N 0 0 500.982 6.041 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cccs3)C2)cc1OC ZINC000001413005 551665103 /nfs/dbraw/zinc/66/51/03/551665103.db2.gz VWOKZVKSFMFPDN-SONOPUAISA-N 0 0 542.682 7.041 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000001413287 551665177 /nfs/dbraw/zinc/66/51/77/551665177.db2.gz ZMBJFHAQKDKPMV-DEOSSOPVSA-N 0 0 540.385 5.426 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)C(F)(F)F)[C@@H]3c3cccs3)C2)cc1 ZINC000001413002 551665203 /nfs/dbraw/zinc/66/52/03/551665203.db2.gz PURXEQFBZQESMW-SSOJOUAXSA-N 0 0 512.553 6.528 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000001413421 551665480 /nfs/dbraw/zinc/66/54/80/551665480.db2.gz CVPUINFFDBTLKT-XMMPIXPASA-N 0 0 519.370 5.891 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413475 551665871 /nfs/dbraw/zinc/66/58/71/551665871.db2.gz WDTHGDMPQDLKRI-AREMUKBSSA-N 0 0 516.981 5.660 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1 ZINC000001413534 551665965 /nfs/dbraw/zinc/66/59/65/551665965.db2.gz DRHSNNFCJKLNPB-VWLOTQADSA-N 0 0 531.406 5.760 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1cccs1 ZINC000001421896 551668502 /nfs/dbraw/zinc/66/85/02/551668502.db2.gz BOOPHPZJMPSMOB-OAHLLOKOSA-N 0 0 516.113 6.709 50 30 KKEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000001422455 551668529 /nfs/dbraw/zinc/66/85/29/551668529.db2.gz SCGSALZPDAJXGN-XMMPIXPASA-N 0 0 550.677 5.370 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccc(O)cc4)c4ccccc4C3c3ccccc32)cc1 ZINC000001425101 551669266 /nfs/dbraw/zinc/66/92/66/551669266.db2.gz SECIRJFRTAQPAU-WYHRAMJMSA-N 0 0 514.581 5.744 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427574 551669714 /nfs/dbraw/zinc/66/97/14/551669714.db2.gz HGSDHTVTJUAUPR-ODCWNRFASA-N 0 0 527.448 7.194 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001431211 551669934 /nfs/dbraw/zinc/66/99/34/551669934.db2.gz ZFCZCTGBUSFSJC-FNZWTVRRSA-N 0 0 500.576 5.761 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001431254 551670252 /nfs/dbraw/zinc/67/02/52/551670252.db2.gz MQSGDRDGWCIVAE-WRONEBCDSA-N 0 0 545.657 5.879 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc(Br)c3)c3ccccc3C2c2ccccc21 ZINC000001433963 551670472 /nfs/dbraw/zinc/67/04/72/551670472.db2.gz ROCBZBJWHGJNNW-DLJXZJEYSA-N 0 0 533.425 6.402 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000001434656 551670635 /nfs/dbraw/zinc/67/06/35/551670635.db2.gz AYZKKFSZMACBTB-DWACAAAGSA-N 0 0 528.630 6.112 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001434629 551670643 /nfs/dbraw/zinc/67/06/43/551670643.db2.gz KREKJOJEBLKKAI-WNSKOXEYSA-N 0 0 518.448 6.211 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2Br)c1 ZINC000001434704 551670672 /nfs/dbraw/zinc/67/06/72/551670672.db2.gz UNXOEMOVDOZAFR-HPGBDJQBSA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000001437533 551671475 /nfs/dbraw/zinc/67/14/75/551671475.db2.gz WFFHMRMQMAYZPD-LBEKAKSKSA-N 0 0 500.595 6.091 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001438137 551671694 /nfs/dbraw/zinc/67/16/94/551671694.db2.gz NLZXAWLPYNMGOV-JYRCXFKTSA-N 0 0 565.464 6.463 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438341 551671713 /nfs/dbraw/zinc/67/17/13/551671713.db2.gz PMXDFEFXEUTZCB-PEBXRYMYSA-N 0 0 504.421 5.963 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001438567 551671940 /nfs/dbraw/zinc/67/19/40/551671940.db2.gz ICLJWKPGDITEHV-LYZGTLIUSA-N 0 0 515.631 5.870 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438543 551671958 /nfs/dbraw/zinc/67/19/58/551671958.db2.gz IJORHJXTXLNJAK-RBTNQOKQSA-N 0 0 513.615 5.624 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438573 551671976 /nfs/dbraw/zinc/67/19/76/551671976.db2.gz DQLVSROYLVBNAO-NGOKVRLYSA-N 0 0 523.610 5.960 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000001438585 551672315 /nfs/dbraw/zinc/67/23/15/551672315.db2.gz LULFRYIMJSQNHU-DWXRJYCRSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001438878 551672411 /nfs/dbraw/zinc/67/24/11/551672411.db2.gz IVCDTBWXYJVTEU-CPJLOUKISA-N 0 0 556.453 5.485 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001439883 551672816 /nfs/dbraw/zinc/67/28/16/551672816.db2.gz BKQSMAZOQTXVLE-CQGGRAHPSA-N 0 0 518.997 6.456 50 30 KKEARN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001446345 551673993 /nfs/dbraw/zinc/67/39/93/551673993.db2.gz MDUZWPDEVUOBAB-DEOSSOPVSA-N 0 0 544.405 5.030 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(Br)cc2OC)cc1 ZINC000001448310 551674606 /nfs/dbraw/zinc/67/46/06/551674606.db2.gz LSMDKTCGZNSBQS-YMGMXPECSA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000001449446 551674941 /nfs/dbraw/zinc/67/49/41/551674941.db2.gz ODSXENMGYSKLGG-QFIPXVFZSA-N 0 0 544.833 5.366 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001450352 551675238 /nfs/dbraw/zinc/67/52/38/551675238.db2.gz QWXSRWHHAJMJSY-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001453806 551676333 /nfs/dbraw/zinc/67/63/33/551676333.db2.gz KTRGCDSVAHFQKF-WOPWWUTRSA-N 0 0 590.676 6.935 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457399 551676715 /nfs/dbraw/zinc/67/67/15/551676715.db2.gz OPINPSQMYUQEFB-PIIWDFAUSA-N 0 0 536.550 6.475 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001456581 551676747 /nfs/dbraw/zinc/67/67/47/551676747.db2.gz RXWZHFFUSVLTJV-QLXKLKPCSA-N 0 0 501.604 5.702 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000001458916 551677277 /nfs/dbraw/zinc/67/72/77/551677277.db2.gz CWXZNCVZZWQDDG-INJOXJOKSA-N 0 0 530.624 6.918 50 30 KKEARN COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000001459519 551677648 /nfs/dbraw/zinc/67/76/48/551677648.db2.gz IRWVIFDMBZINST-LJAQVGFWSA-N 0 0 514.666 5.891 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001458997 551677660 /nfs/dbraw/zinc/67/76/60/551677660.db2.gz MFXGBKBDLNCGPF-WKRVVKTRSA-N 0 0 520.585 6.511 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)cc1 ZINC000001460744 551678075 /nfs/dbraw/zinc/67/80/75/551678075.db2.gz DFUXZGWAKWMXHH-JRPXNJEYSA-N 0 0 540.616 5.418 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460824 551678755 /nfs/dbraw/zinc/67/87/55/551678755.db2.gz QMBCAFAHGQDKKI-GPNASLBKSA-N 0 0 552.671 6.275 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2F)cc1 ZINC000001460828 551678758 /nfs/dbraw/zinc/67/87/58/551678758.db2.gz UBKOFWFITLNTNA-PRAQEBQASA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cc(C)ccc2C)cc1 ZINC000001461011 551679070 /nfs/dbraw/zinc/67/90/70/551679070.db2.gz RANKIPPDYTVKSB-HEIROHQZSA-N 0 0 552.671 6.330 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001461041 551679161 /nfs/dbraw/zinc/67/91/61/551679161.db2.gz IYIWESNIDAWOCX-UDNBHOFDSA-N 0 0 552.671 6.411 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461082 551679536 /nfs/dbraw/zinc/67/95/36/551679536.db2.gz VLFWGPCPJUMCRI-UDNBHOFDSA-N 0 0 568.670 6.117 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000001467607 551680182 /nfs/dbraw/zinc/68/01/82/551680182.db2.gz IHCUQZRWYQBIEZ-HSZRJFAPSA-N 0 0 507.384 5.330 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480130 551681451 /nfs/dbraw/zinc/68/14/51/551681451.db2.gz XVUMZUWTPORCHH-DEOSSOPVSA-N 0 0 532.574 5.114 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480833 551681843 /nfs/dbraw/zinc/68/18/43/551681843.db2.gz RQQPDKNANDTKGS-RUZDIDTESA-N 0 0 560.628 5.812 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480880 551682287 /nfs/dbraw/zinc/68/22/87/551682287.db2.gz DCPGPPQUYHMSAO-VWLOTQADSA-N 0 0 546.601 5.504 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480885 551682372 /nfs/dbraw/zinc/68/23/72/551682372.db2.gz FBXPOLRTSBGXLH-RUZDIDTESA-N 0 0 530.602 5.885 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001482270 551682715 /nfs/dbraw/zinc/68/27/15/551682715.db2.gz MKOOTMCTRVMNFY-RUZDIDTESA-N 0 0 530.602 5.804 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c(C#N)c1C ZINC000001739285 551691229 /nfs/dbraw/zinc/69/12/29/551691229.db2.gz UDOSOFUBPGWONI-UHFFFAOYSA-N 0 0 562.673 6.637 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000001773165 551696944 /nfs/dbraw/zinc/69/69/44/551696944.db2.gz OQDXHXHTRSTLSH-URAOTHONSA-N 0 0 532.596 5.763 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000001776731 551697533 /nfs/dbraw/zinc/69/75/33/551697533.db2.gz YMZKYKYDGNRSLC-UKAZCEGMSA-N 0 0 508.441 6.080 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1 ZINC000001780913 551698368 /nfs/dbraw/zinc/69/83/68/551698368.db2.gz MSAPPDKIFJHKIN-ITYLOYPMSA-N 0 0 517.614 5.092 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1C ZINC000001808572 551705042 /nfs/dbraw/zinc/70/50/42/551705042.db2.gz XGOZJISPTGTGLX-IMRQLAEWSA-N 0 0 531.641 5.400 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000001810714 551705495 /nfs/dbraw/zinc/70/54/95/551705495.db2.gz YZUWSYBFILTRPI-UHFFFAOYSA-N 0 0 555.103 7.436 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccccc1Cl ZINC000001811299 551706546 /nfs/dbraw/zinc/70/65/46/551706546.db2.gz QWTNKUYBQVLJHY-UHFFFAOYSA-N 0 0 550.924 6.869 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccccc1Cl ZINC000001811305 551706552 /nfs/dbraw/zinc/70/65/52/551706552.db2.gz MWDHHCXZHCEGMZ-UHFFFAOYSA-N 0 0 584.476 7.235 50 30 KKEARN CCOc1ccc(C2=C(/C=N/CCc3c[nH]c4ccccc34)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000001822313 551708922 /nfs/dbraw/zinc/70/89/22/551708922.db2.gz GPYAWOAEVUANDS-LSVGHWCNSA-N 0 0 512.653 8.124 50 30 KKEARN CCCN(CCC)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccccc2)S(=O)(=O)c2ccccc21 ZINC000001823021 551709079 /nfs/dbraw/zinc/70/90/79/551709079.db2.gz AZZWCZNRUAAINU-UHFFFAOYSA-N 0 0 502.636 5.247 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C#N)cc1 ZINC000001825178 551709709 /nfs/dbraw/zinc/70/97/09/551709709.db2.gz GXPCVFYXXDRAFC-UHFFFAOYSA-N 0 0 566.683 6.491 50 30 KKEARN COc1ccc(-n2c(=O)c3c(nc2N/N=C/c2ccc(Br)cc2)-c2ccccc2CC32CCCCC2)cc1 ZINC000001824925 551709724 /nfs/dbraw/zinc/70/97/24/551709724.db2.gz ZSKYMTVBXZJVED-FMFFXOCNSA-N 0 0 569.503 6.875 50 30 KKEARN CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000001835928 551712425 /nfs/dbraw/zinc/71/24/25/551712425.db2.gz DXBBTXNOFPNCFR-RIHQVDFKSA-N 0 0 560.123 7.654 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(CCCOc3ccc(Cl)cc3Cl)n1-c1ccccc1)CCCC2 ZINC000001848573 551715179 /nfs/dbraw/zinc/71/51/79/551715179.db2.gz AOQODENTVRBLLQ-UHFFFAOYSA-N 0 0 598.581 7.128 50 30 KKEARN COc1cccc(CN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000001858301 551716729 /nfs/dbraw/zinc/71/67/29/551716729.db2.gz WOBOOXHQBBQOON-WJOKGBTCSA-N 0 0 596.602 5.721 50 30 KKEARN CCCCOP(=O)(OCCCC)[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000001875743 551722313 /nfs/dbraw/zinc/72/23/13/551722313.db2.gz CCPFIQQHENBNPE-DEOSSOPVSA-N 0 0 560.436 6.617 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000001876401 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C=CCOc1cccc([C@@H]2Nc3ccc(I)cc3C(=O)N2c2ccc(OCC)cc2)c1 ZINC000002086349 551756076 /nfs/dbraw/zinc/75/60/76/551756076.db2.gz XPHSJTYNMPRPOC-XMMPIXPASA-N 0 0 526.374 6.026 50 30 KKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4cccc(Br)c4)nc4ccccc43)sc2C1 ZINC000002086421 551756101 /nfs/dbraw/zinc/75/61/01/551756101.db2.gz YSWVXWJNAZOSLW-INIZCTEOSA-N 0 0 516.464 7.365 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4cccc(Br)c4)nc4ccccc43)sc2C1 ZINC000002086422 551756137 /nfs/dbraw/zinc/75/61/37/551756137.db2.gz YSWVXWJNAZOSLW-MRXNPFEDSA-N 0 0 516.464 7.365 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O ZINC000002087095 551756841 /nfs/dbraw/zinc/75/68/41/551756841.db2.gz ZOXPBLMXTCSICB-QKSAGWNYSA-N 0 0 507.055 7.487 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000002092668 551759352 /nfs/dbraw/zinc/75/93/52/551759352.db2.gz VSUZZBGSHCJOGT-GFCCVEGCSA-N 0 0 560.399 6.488 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\C(=O)Nc4c3cc(C)cc4C)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000002094491 551760436 /nfs/dbraw/zinc/76/04/36/551760436.db2.gz UXAZQYLGHSHSDT-KHCAEQQXSA-N 0 0 569.639 5.788 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\C(=O)Nc4ccc(C)cc43)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000002094373 551760439 /nfs/dbraw/zinc/76/04/39/551760439.db2.gz QBNMZTPIIARGND-CDNMSKMOSA-N 0 0 555.612 5.479 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)C(F)(F)C(F)(F)C(=O)Nc3sc4c(c3C#N)CC[C@@H](CC)C4)sc2C1 ZINC000002098630 551762003 /nfs/dbraw/zinc/76/20/03/551762003.db2.gz BOJYDAFZRKDAJX-ZIAGYGMSSA-N 0 0 566.646 6.431 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000002100613 551762224 /nfs/dbraw/zinc/76/22/24/551762224.db2.gz NEGXNCGHTQPBSP-VWLOTQADSA-N 0 0 558.553 6.360 50 30 KKEARN O=C1CN(/N=C/c2c(Cl)cccc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002103078 551762561 /nfs/dbraw/zinc/76/25/61/551762561.db2.gz HPMXFJFLTDDSFA-ASODYVGDSA-N 0 0 503.389 5.194 50 30 biogenic KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000002105919 551763531 /nfs/dbraw/zinc/76/35/31/551763531.db2.gz GLRGSIKCQPPOFR-AREMUKBSSA-N 0 0 528.020 6.234 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002106532 551764038 /nfs/dbraw/zinc/76/40/38/551764038.db2.gz JQMDBXFDBUZKCW-OAHLLOKOSA-N 0 0 557.763 5.617 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2scc(-c3ccco3)c2c1=O ZINC000002106462 551764082 /nfs/dbraw/zinc/76/40/82/551764082.db2.gz GDTFFMORRNCSFO-UHFFFAOYSA-N 0 0 522.677 5.837 50 30 KKEARN COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002106892 551764530 /nfs/dbraw/zinc/76/45/30/551764530.db2.gz BTYBXWLJRKKZKW-UHFFFAOYSA-N 0 0 562.742 5.877 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002106716 551764540 /nfs/dbraw/zinc/76/45/40/551764540.db2.gz LPAQFSOXTNRGTO-INIZCTEOSA-N 0 0 571.790 6.007 50 30 KKEARN CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(CC(C)C)cc4)nc4ccccc43)c2C#N)cc1 ZINC000002108083 551765150 /nfs/dbraw/zinc/76/51/50/551765150.db2.gz HQRXKYGAMRLQIK-HSZRJFAPSA-N 0 0 557.763 9.775 50 30 KKEARN CC(C)Oc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c3ccccc3n2)cc1 ZINC000002108144 551765328 /nfs/dbraw/zinc/76/53/28/551765328.db2.gz YWMILERAGGOXQG-NRFANRHFSA-N 0 0 523.702 8.025 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000002108178 551765331 /nfs/dbraw/zinc/76/53/31/551765331.db2.gz GACGTUBMGWZATM-UHFFFAOYSA-N 0 0 542.491 8.986 50 30 KKEARN Cc1ccc(-c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4Cl)c3C#N)c3ccccc3n2)cc1C ZINC000002108175 551765333 /nfs/dbraw/zinc/76/53/33/551765333.db2.gz DLSCYJJQBUDSAV-UHFFFAOYSA-N 0 0 528.464 8.678 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(CCC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108325 551765712 /nfs/dbraw/zinc/76/57/12/551765712.db2.gz YSWHDLARYGJRQD-UHFFFAOYSA-N 0 0 559.735 9.194 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccccc2Br)c(C)s1 ZINC000002111365 551767540 /nfs/dbraw/zinc/76/75/40/551767540.db2.gz IRKIOULGQWEYAL-VWLOTQADSA-N 0 0 544.511 6.565 50 30 KKEARN Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(CC(C)C)cc4)c3C#N)c3ccccc3n2)o1 ZINC000002111843 551767667 /nfs/dbraw/zinc/76/76/67/551767667.db2.gz OHLUQUZPMHCVBZ-UHFFFAOYSA-N 0 0 505.643 8.163 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCc1ccccc1)N(C(=O)CC)c1ccccc1-2 ZINC000002114386 551769026 /nfs/dbraw/zinc/76/90/26/551769026.db2.gz OVTYKFDDESUFOV-NDEPHWFRSA-N 0 0 510.619 6.230 50 30 KKEARN C=CCOc1cccc([C@@H]2Oc3nc(SCc4ccccc4Cl)nnc3-c3ccccc3N2C(C)=O)c1 ZINC000002122495 551771027 /nfs/dbraw/zinc/77/10/27/551771027.db2.gz HTFJRAWHZNDROG-MHZLTWQESA-N 0 0 531.037 6.493 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Cl)c1OC)N(C(=O)CC)c1ccccc1-2 ZINC000002122481 551771049 /nfs/dbraw/zinc/77/10/49/551771049.db2.gz MVJQUPMZAJXZHM-QFIPXVFZSA-N 0 0 503.411 5.966 50 30 KKEARN S=C1N(c2ccccc2)C(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1cc(Cl)cc(Cl)c1 ZINC000002122920 551771272 /nfs/dbraw/zinc/77/12/72/551771272.db2.gz CVDYRBAGMUSNNK-BENVAKDZSA-N 0 0 501.442 8.065 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2Br)c1 ZINC000002123951 551771453 /nfs/dbraw/zinc/77/14/53/551771453.db2.gz FCIXAKQROXIPPS-UHFFFAOYSA-N 0 0 592.530 7.175 50 30 KKEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O ZINC000002131113 551772883 /nfs/dbraw/zinc/77/28/83/551772883.db2.gz QXYULVYWWWASHY-QYJXRTEHSA-N 0 0 501.538 7.347 50 30 biogenic KKEARN COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)c5ccccc45)c(C)c3)cc2C)c2ccccc12 ZINC000002133081 551773104 /nfs/dbraw/zinc/77/31/04/551773104.db2.gz IMCNWGXLSSISFK-DBMXBCQFSA-N 0 0 548.686 9.795 50 30 KKEARN CCOC(=O)c1cc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(Cl)c(C(=O)OCC)c4)o3)o2)ccc1Cl ZINC000002144701 551775744 /nfs/dbraw/zinc/77/57/44/551775744.db2.gz VMFYZTWIKAIEPP-IHXWQEJPSA-N 0 0 553.398 7.320 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151419 551778398 /nfs/dbraw/zinc/77/83/98/551778398.db2.gz IEPQTHMLDBUDKU-AREMUKBSSA-N 0 0 543.461 6.430 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151449 551778411 /nfs/dbraw/zinc/77/84/11/551778411.db2.gz IAEYLPZUGORRJB-MHZLTWQESA-N 0 0 587.514 6.767 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1c1ccc(Br)cc1 ZINC000002151291 551778415 /nfs/dbraw/zinc/77/84/15/551778415.db2.gz GVCCYIDCBINSHC-XMMPIXPASA-N 0 0 533.853 6.767 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1c1ccc(Br)cc1 ZINC000002151542 551778557 /nfs/dbraw/zinc/77/85/57/551778557.db2.gz OFHQLLMJGFOTAI-DEOSSOPVSA-N 0 0 533.853 6.767 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151943 551778777 /nfs/dbraw/zinc/77/87/77/551778777.db2.gz VRDKMITVBNTEFA-MUUNZHRXSA-N 0 0 583.641 5.902 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3Cl)C3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152061 551778980 /nfs/dbraw/zinc/77/89/80/551778980.db2.gz ARYKSKULCMMYSR-SANMLTNESA-N 0 0 512.993 6.041 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002152808 551779202 /nfs/dbraw/zinc/77/92/02/551779202.db2.gz ANXCEWXGZGILPA-CRYYWNKWSA-N 0 0 539.409 7.272 50 30 KKEARN COc1cccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4cccc(OC)c4O)cc3)cc2)c1O ZINC000002167397 551781846 /nfs/dbraw/zinc/78/18/46/551781846.db2.gz HOFWHFFFGOJEIS-YAGSLNJISA-N 0 0 516.575 5.449 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002168811 551781931 /nfs/dbraw/zinc/78/19/31/551781931.db2.gz VNQZRLXVNVLLBT-UHFFFAOYSA-N 0 0 533.690 6.078 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000002175856 551783190 /nfs/dbraw/zinc/78/31/90/551783190.db2.gz XWZGSTCLSBUBLV-MAKYVFJGSA-N 0 0 570.670 5.101 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000002178078 551784298 /nfs/dbraw/zinc/78/42/98/551784298.db2.gz PGFJKJZDJGNGFF-UHFFFAOYSA-N 0 0 598.965 8.010 50 30 KKEARN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1 ZINC000002181415 551785055 /nfs/dbraw/zinc/78/50/55/551785055.db2.gz RKXWYUBEDYWVFF-RPPGKUMJSA-N 0 0 526.481 6.863 50 30 KKEARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC1=NC(=S)N(c2ccc(Cl)cc2)C12CCCC2 ZINC000002181993 551785415 /nfs/dbraw/zinc/78/54/15/551785415.db2.gz NTPDCPNXHVOJTM-ZCQBWMKESA-N 0 0 520.957 8.181 50 30 KKEARN CCOc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2C(=O)[C@H](C)CC ZINC000002183602 551785815 /nfs/dbraw/zinc/78/58/15/551785815.db2.gz XIXXJJJZPMUSBS-NSBXDVEOSA-N 0 0 537.772 7.733 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002185577 551786568 /nfs/dbraw/zinc/78/65/68/551786568.db2.gz BGODFGGVJXHANU-VVFBEHOQSA-N 0 0 507.630 6.579 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000002185570 551786607 /nfs/dbraw/zinc/78/66/07/551786607.db2.gz IQBDCZVYOUGHRP-ONOMSOESSA-N 0 0 519.638 5.807 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000002185703 551786948 /nfs/dbraw/zinc/78/69/48/551786948.db2.gz RWNUFVKNXWQDJH-CLOONOSVSA-N 0 0 500.035 6.137 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000002186236 551787455 /nfs/dbraw/zinc/78/74/55/551787455.db2.gz FWEOJRZVVLEPFD-JGCGQSQUSA-N 0 0 507.605 7.876 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cc(F)c(F)cc1Cl ZINC000002188092 551788398 /nfs/dbraw/zinc/78/83/98/551788398.db2.gz ARHOEZJNQQKBDZ-WJOKGBTCSA-N 0 0 574.023 8.309 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000002188617 551788537 /nfs/dbraw/zinc/78/85/37/551788537.db2.gz RRHOMAHIFNGXNE-OAQYLSRUSA-N 0 0 511.416 5.048 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 ZINC000002188666 551788753 /nfs/dbraw/zinc/78/87/53/551788753.db2.gz RALMUFXPLRHUQZ-FQEVSTJZSA-N 0 0 501.808 5.365 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000002190012 551789469 /nfs/dbraw/zinc/78/94/69/551789469.db2.gz GWDOXUIVANHIQV-UHFFFAOYSA-N 0 0 575.536 8.305 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002190949 551789906 /nfs/dbraw/zinc/78/99/06/551789906.db2.gz QUWGOVYSMZXZNC-HXOBKFHXSA-N 0 0 521.626 6.425 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000002190952 551789909 /nfs/dbraw/zinc/78/99/09/551789909.db2.gz FTRQOONAHHINIM-NPMXOYFQSA-N 0 0 550.515 6.308 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191759 551790128 /nfs/dbraw/zinc/79/01/28/551790128.db2.gz FJSHLESKBCATAY-QKFKETGDSA-N 0 0 527.996 5.698 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191755 551790144 /nfs/dbraw/zinc/79/01/44/551790144.db2.gz YCQSUDSCCJQALK-OYLFLEFRSA-N 0 0 542.023 6.088 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191803 551790336 /nfs/dbraw/zinc/79/03/36/551790336.db2.gz LMGFFYYMPQXCSU-FYSMJZIKSA-N 0 0 507.578 5.434 50 30 KKEARN COc1ccc(/C=N/OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000002194564 551791737 /nfs/dbraw/zinc/79/17/37/551791737.db2.gz CNWROVAEMPKDJM-HPNXWYHWSA-N 0 0 540.623 6.740 50 30 KKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000002196884 551792088 /nfs/dbraw/zinc/79/20/88/551792088.db2.gz AWSOIQLOCOBJRK-RUZDIDTESA-N 0 0 510.571 6.116 50 30 KKEARN CCCCCCCSc1nc2ccc(I)cc2c(=O)n1-c1ccc(OC)cc1 ZINC000002226036 551796789 /nfs/dbraw/zinc/79/67/89/551796789.db2.gz IILWPRBMNLGESQ-UHFFFAOYSA-N 0 0 508.425 6.061 50 30 KKEARN Cc1ccc(N2C(=O)[C@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002234171 551798098 /nfs/dbraw/zinc/79/80/98/551798098.db2.gz MNVJUCSUWQTOSM-VWLOTQADSA-N 0 0 504.936 5.678 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(NC(C)=O)cc1 ZINC000002235601 551798360 /nfs/dbraw/zinc/79/83/60/551798360.db2.gz KKRLSHQDBDBCCI-UHFFFAOYSA-N 0 0 543.660 6.633 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002239834 551799025 /nfs/dbraw/zinc/79/90/25/551799025.db2.gz LJJBSHVWZDNPTP-UHFFFAOYSA-N 0 0 505.571 5.248 50 30 KKEARN COc1ccc(CNC(=O)c2c(N)n(/N=C/c3ccc(C(C)(C)C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002247193 551800250 /nfs/dbraw/zinc/80/02/50/551800250.db2.gz NBYFSAAOPVJBRC-DPNNOFEESA-N 0 0 506.610 5.285 50 30 KKEARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000002249789 551801281 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O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000002719210 552163650 /nfs/dbraw/zinc/16/36/50/552163650.db2.gz SCCUVRBCIOARHC-LJQANCHMSA-N 0 0 539.411 5.710 50 30 KKEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000002719236 552163753 /nfs/dbraw/zinc/16/37/53/552163753.db2.gz URABBKMTLPXYCO-HSZRJFAPSA-N 0 0 531.638 5.793 50 30 KKEARN CCOc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719428 552163771 /nfs/dbraw/zinc/16/37/71/552163771.db2.gz UGSHBRKKSWDAGB-JOCHJYFZSA-N 0 0 532.622 5.982 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)s1 ZINC000002726857 552167109 /nfs/dbraw/zinc/16/71/09/552167109.db2.gz LGHRMZFSYZPVAT-VWLOTQADSA-N 0 0 544.511 6.565 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2)c(C)s1 ZINC000002726954 552167131 /nfs/dbraw/zinc/16/71/31/552167131.db2.gz NBKLPUNFRDIQMJ-RUZDIDTESA-N 0 0 500.060 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5.451 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002779922 552188293 /nfs/dbraw/zinc/18/82/93/552188293.db2.gz WTGKVODIAWBCMT-ZTOMLWHTSA-N 0 0 514.021 6.324 50 30 KKEARN O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002781987 552188702 /nfs/dbraw/zinc/18/87/02/552188702.db2.gz UCRIUEBBPCGFSP-UHFFFAOYSA-N 0 0 542.346 5.201 50 30 KKEARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3scc(-c4ccc(C(C)C)cc4)c3C#N)c3ccccc3n2)cc1 ZINC000002783001 552189031 /nfs/dbraw/zinc/18/90/31/552189031.db2.gz UUOMHRXZTSIYQS-UHFFFAOYSA-N 0 0 529.709 9.076 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000002784280 552189475 /nfs/dbraw/zinc/18/94/75/552189475.db2.gz MFDPSUATWPIBIO-DWXRJYCRSA-N 0 0 526.029 5.768 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000002784196 552189514 /nfs/dbraw/zinc/18/95/14/552189514.db2.gz LOZMCCCAIVYRCU-IADCTJSHSA-N 0 0 531.649 5.600 50 30 biogenic KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002788539 552190933 /nfs/dbraw/zinc/19/09/33/552190933.db2.gz GKLORYQKVICYHS-KBMIEXCESA-N 0 0 500.422 5.935 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000002788611 552191162 /nfs/dbraw/zinc/19/11/62/552191162.db2.gz REZQLCLGEUMUHB-DWXRJYCRSA-N 0 0 521.610 5.036 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002788622 552191175 /nfs/dbraw/zinc/19/11/75/552191175.db2.gz QWBFAAGXYQRXOV-FNZWTVRRSA-N 0 0 522.623 5.261 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c(C#N)c1-c1ccc(C)cc1 ZINC000002789336 552191661 /nfs/dbraw/zinc/19/16/61/552191661.db2.gz HWYRQXSBYQXXAA-UHFFFAOYSA-N 0 0 515.682 8.570 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(OC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002789311 552191665 /nfs/dbraw/zinc/19/16/65/552191665.db2.gz HQKKWHIBSRWMDP-UHFFFAOYSA-N 0 0 547.680 8.250 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002796811 552192416 /nfs/dbraw/zinc/19/24/16/552192416.db2.gz YGNJHUSRTRODHH-NFQMXDRXSA-N 0 0 501.604 5.438 50 30 KKEARN COc1ccc(Cn2c(NC(=O)c3cccc([N+](=O)[O-])c3)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002796843 552192470 /nfs/dbraw/zinc/19/24/70/552192470.db2.gz YYUMDXOVTSSVSR-UHFFFAOYSA-N 0 0 528.568 6.911 50 30 KKEARN COc1ccc(Cn2c(NC(=O)c3ccccc3OC)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000002797549 552192947 /nfs/dbraw/zinc/19/29/47/552192947.db2.gz DZTOIJJLKKLTNF-UHFFFAOYSA-N 0 0 513.597 7.012 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000002801368 552194690 /nfs/dbraw/zinc/19/46/90/552194690.db2.gz TYHOVSBNNAEAEO-HSZRJFAPSA-N 0 0 516.432 5.658 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C(F)(F)F)cc(-c3ccco3)c1C#N)C[C@H](C)CC2 ZINC000002806859 552196473 /nfs/dbraw/zinc/19/64/73/552196473.db2.gz KUKGFDRWVLECJW-CYBMUJFWSA-N 0 0 549.596 6.326 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000002840337 552198452 /nfs/dbraw/zinc/19/84/52/552198452.db2.gz VNYCYAJPUNUMNG-UHFFFAOYSA-N 0 0 591.148 7.072 50 30 KKEARN C=C(C)COc1c(Br)cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000002850103 552200959 /nfs/dbraw/zinc/20/09/59/552200959.db2.gz RSZQCWWKXRYLTP-APSNUPSMSA-N 0 0 507.724 5.319 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000002851490 552201101 /nfs/dbraw/zinc/20/11/01/552201101.db2.gz KNCAZDBSKRXPGX-GOSISDBHSA-N 0 0 532.695 5.426 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccccc1O ZINC000002857719 552202717 /nfs/dbraw/zinc/20/27/17/552202717.db2.gz OVTWRQOJDCEIJM-INIZCTEOSA-N 0 0 507.685 5.652 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000002858753 552202965 /nfs/dbraw/zinc/20/29/65/552202965.db2.gz VJENFOURUFQDKT-QGZVFWFLSA-N 0 0 525.487 5.085 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000002858752 552203005 /nfs/dbraw/zinc/20/30/05/552203005.db2.gz VJENFOURUFQDKT-KRWDZBQOSA-N 0 0 525.487 5.085 50 30 KKEARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002859375 552203409 /nfs/dbraw/zinc/20/34/09/552203409.db2.gz PBMGWGQUYRRUFF-KRWDZBQOSA-N 0 0 536.727 5.294 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](CC(C)C)NC(=O)c1cccs1 ZINC000002859535 552203711 /nfs/dbraw/zinc/20/37/11/552203711.db2.gz DURPVPUQLOUAGC-GOSISDBHSA-N 0 0 533.517 5.780 50 30 KKEARN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002871153 552206610 /nfs/dbraw/zinc/20/66/10/552206610.db2.gz WHDRNJFALDRNHA-UHFFFAOYSA-N 0 0 531.638 5.455 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000002881858 552208822 /nfs/dbraw/zinc/20/88/22/552208822.db2.gz AGAJPFUKOJGMFB-OAQYLSRUSA-N 0 0 528.476 5.085 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002886681 552209552 /nfs/dbraw/zinc/20/95/52/552209552.db2.gz JOWYJPXKSSEEOL-UHFFFAOYSA-N 0 0 517.698 5.109 50 30 KKEARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nc2c(c(CC)c1C#N)C(=O)CC(C)(C)C2 ZINC000002889148 552210582 /nfs/dbraw/zinc/21/05/82/552210582.db2.gz ZSOXUNITFNWGQI-UHFFFAOYSA-N 0 0 565.692 6.446 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1nc(-c2ccccc2)ns1)CCCCC3 ZINC000002889165 552210616 /nfs/dbraw/zinc/21/06/16/552210616.db2.gz PLUZOHIYVNOZAD-UHFFFAOYSA-N 0 0 509.682 5.162 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002889168 552210640 /nfs/dbraw/zinc/21/06/40/552210640.db2.gz WGVMFPFQNRPXCF-AWEZNQCLSA-N 0 0 509.682 5.018 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002889286 552211076 /nfs/dbraw/zinc/21/10/76/552211076.db2.gz WRCCFOWXXAAHNQ-MRXNPFEDSA-N 0 0 521.683 6.290 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3)n2)nc2scc(-c3ccc(OC)cc3)c2c1=O ZINC000002890690 552211217 /nfs/dbraw/zinc/21/12/17/552211217.db2.gz ZMJHEYRBGMPKED-UHFFFAOYSA-N 0 0 547.687 5.569 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(I)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002896417 552211957 /nfs/dbraw/zinc/21/19/57/552211957.db2.gz RLLDZBHDMKLBIY-OAQYLSRUSA-N 0 0 505.396 5.381 50 30 KKEARN O=C(Nc1ccccc1C#Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002898194 552212278 /nfs/dbraw/zinc/21/22/78/552212278.db2.gz GEVPEOBGAVIHTG-UHFFFAOYSA-N 0 0 596.730 8.628 50 30 KKEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)N2C)cc1 ZINC000002903990 552212748 /nfs/dbraw/zinc/21/27/48/552212748.db2.gz RBHMQAUDERMXII-LXIZZWGISA-N 0 0 504.568 5.413 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\c3ccccc3N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c(C)c1 ZINC000002911971 552214901 /nfs/dbraw/zinc/21/49/01/552214901.db2.gz GZBSMFDKTMEINN-JJNGWGCYSA-N 0 0 566.653 5.139 50 30 KKEARN Cc1c(Cl)cccc1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000002923040 552221854 /nfs/dbraw/zinc/22/18/54/552221854.db2.gz HBVWBMQWWLIPLL-GDWJVWIDSA-N 0 0 553.519 5.119 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000002923378 552222105 /nfs/dbraw/zinc/22/21/05/552222105.db2.gz LPRMRXRCKUPTRY-MNNSJKJDSA-N 0 0 533.621 5.334 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002925210 552222780 /nfs/dbraw/zinc/22/27/80/552222780.db2.gz LFXSNJLWQWCDRC-PUAOIOHZSA-N 0 0 524.957 5.292 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925457 552223257 /nfs/dbraw/zinc/22/32/57/552223257.db2.gz OHCIXQKIBLKSTK-MNNSJKJDSA-N 0 0 543.019 6.396 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002925798 552223667 /nfs/dbraw/zinc/22/36/67/552223667.db2.gz UWDIUZFHZKBKAN-ARPOTICCSA-N 0 0 569.701 7.413 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002926245 552224119 /nfs/dbraw/zinc/22/41/19/552224119.db2.gz SBYVQXNUDSSCTL-DFBJGRDBSA-N 0 0 527.042 5.906 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002926286 552224144 /nfs/dbraw/zinc/22/41/44/552224144.db2.gz LMLCYIRKTSXPKP-MHZLTWQESA-N 0 0 507.652 5.538 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl ZINC000002927077 552224700 /nfs/dbraw/zinc/22/47/00/552224700.db2.gz JMTIVDWDQSEGIT-BVZFJXPGSA-N 0 0 500.422 5.935 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002926916 552224748 /nfs/dbraw/zinc/22/47/48/552224748.db2.gz ZDUJMHKFJKVDCT-NBGIEHNGSA-N 0 0 510.428 5.390 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5)c(OC)c4)ccc3o2)cc1Br ZINC000002942325 552227903 /nfs/dbraw/zinc/22/79/03/552227903.db2.gz NHDCQEOSOIINFZ-KPGMTVGESA-N 0 0 591.845 7.898 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000002955238 552230410 /nfs/dbraw/zinc/23/04/10/552230410.db2.gz TZFCROAPNSESAL-VWLOTQADSA-N 0 0 542.426 5.056 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000003027095 552267412 /nfs/dbraw/zinc/26/74/12/552267412.db2.gz JLMLLXYRQMQVBW-YSURURNPSA-N 0 0 553.581 6.972 50 30 KKEARN O=C(NOC(=O)c1ccc(Cl)cc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000003029420 552267878 /nfs/dbraw/zinc/26/78/78/552267878.db2.gz SJDROVIZFOTICG-UHFFFAOYSA-N 0 0 506.182 5.377 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1O ZINC000003042664 552273618 /nfs/dbraw/zinc/27/36/18/552273618.db2.gz BYZIDGYQUDTMCK-KIBLKLHPSA-N 0 0 536.607 7.138 50 30 KKEARN COc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003043964 552274578 /nfs/dbraw/zinc/27/45/78/552274578.db2.gz AERIHKQCLRPUNB-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccc(Br)cc32)cc1Cl ZINC000003044050 552274899 /nfs/dbraw/zinc/27/48/99/552274899.db2.gz OPMWLLSDTSYQPD-HFTWOUSFSA-N 0 0 547.837 5.488 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)cc1 ZINC000003044102 552275094 /nfs/dbraw/zinc/27/50/94/552275094.db2.gz RVVOZWFARGYQGP-HFTWOUSFSA-N 0 0 547.837 5.488 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cccc(C)c3)c3ccc(Br)cc32)cc1Cl ZINC000003044251 552275098 /nfs/dbraw/zinc/27/50/98/552275098.db2.gz FSMOVVLLMYXJJO-SLMZUGIISA-N 0 0 543.874 5.657 50 30 KKEARN CCc1cccc(C)c1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2cc(C)ccc2C)C1=O ZINC000003044224 552275162 /nfs/dbraw/zinc/27/51/62/552275162.db2.gz AZXPSBOQHLPHRU-JVCXMKTPSA-N 0 0 535.511 6.174 50 30 KKEARN Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)cc(C)c3)c3cc(Br)ccc32)c1 ZINC000003044286 552275412 /nfs/dbraw/zinc/27/54/12/552275412.db2.gz CSWIDAUITWAHJX-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000003044300 552275419 /nfs/dbraw/zinc/27/54/19/552275419.db2.gz MBJNWMGPPOEJNZ-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)c(Cl)c3)cc2Cl)cc1 ZINC000003083824 552285869 /nfs/dbraw/zinc/28/58/69/552285869.db2.gz AYWCRFAEXYRMGW-CBLSGYJOSA-N 0 0 512.267 9.392 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1O ZINC000003089564 552286358 /nfs/dbraw/zinc/28/63/58/552286358.db2.gz VPXCLQCCNOQZKI-OPEKNORGSA-N 0 0 516.189 6.793 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000003094419 552286972 /nfs/dbraw/zinc/28/69/72/552286972.db2.gz WNXUZHVSQZLKEZ-GDLZYMKVSA-N 0 0 517.666 6.612 50 30 KKEARN C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)c1ccccc1 ZINC000003094811 552287142 /nfs/dbraw/zinc/28/71/42/552287142.db2.gz KGJRNRZQERWJTI-PBEVGHANSA-N 0 0 526.481 6.485 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C/c4ccc(Br)cc4)cc3s2)c(C)c1 ZINC000003095139 552287204 /nfs/dbraw/zinc/28/72/04/552287204.db2.gz RWDZDIVXLFFCSA-UETRGQPKSA-N 0 0 538.536 7.854 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1 ZINC000003097177 552287391 /nfs/dbraw/zinc/28/73/91/552287391.db2.gz JNRIWWRQYOJLGY-RWPZCVJISA-N 0 0 585.536 7.507 50 30 KKEARN N#C[C@](c1ccccc1)(c1cc(C(F)(F)F)cnc1C(=O)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000003105982 552288648 /nfs/dbraw/zinc/28/86/48/552288648.db2.gz HXJORCUDKJMAAZ-DEOSSOPVSA-N 0 0 519.445 5.450 50 30 KKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003112685 552289506 /nfs/dbraw/zinc/28/95/06/552289506.db2.gz WVTJURYPWKBOJG-ROPCREHHSA-N 0 0 573.259 8.798 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000003113589 552289819 /nfs/dbraw/zinc/28/98/19/552289819.db2.gz NREBSJCSEQCNBY-OPEKNORGSA-N 0 0 516.189 6.793 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5Cl)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000003113176 552289883 /nfs/dbraw/zinc/28/98/83/552289883.db2.gz KWZLAJNGWCCXQQ-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc(Cl)c(Cl)c5)nc4c3)o2)cc1Cl ZINC000003113786 552290026 /nfs/dbraw/zinc/29/00/26/552290026.db2.gz NGHNWFSQVOPKPY-XKJRVUDJSA-N 0 0 502.184 9.119 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5ccc(F)cc5Cl)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000003113937 552290128 /nfs/dbraw/zinc/29/01/28/552290128.db2.gz SYFMOZBDJSOSQW-IPPBACCNSA-N 0 0 532.871 7.647 50 30 KKEARN Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)cc2)cc1Cl ZINC000003113896 552290164 /nfs/dbraw/zinc/29/01/64/552290164.db2.gz WNANZEXHBYMWIQ-IHXWQEJPSA-N 0 0 514.239 9.594 50 30 KKEARN O=C(ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F ZINC000003137813 552293793 /nfs/dbraw/zinc/29/37/93/552293793.db2.gz NYVCEUSCARKPKQ-UHFFFAOYSA-N 0 0 537.243 7.542 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000003142832 552295278 /nfs/dbraw/zinc/29/52/78/552295278.db2.gz GORKMWVIPAFUHR-UHFFFAOYSA-N 0 0 509.631 5.755 50 30 KKEARN Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc(Br)cc5)nc4c3)o2)c(Cl)c1 ZINC000003144737 552297018 /nfs/dbraw/zinc/29/70/18/552297018.db2.gz XBWNVDSYYLDVKL-XODNFHPESA-N 0 0 512.190 8.575 50 30 KKEARN O=C(Oc1ccc2ccccc2c1/C=N/c1ccc(I)cc1)c1ccc(Cl)cc1 ZINC000003168141 552298570 /nfs/dbraw/zinc/29/85/70/552298570.db2.gz FVHJOOSBXWTNLI-JFLMPSFJSA-N 0 0 511.746 7.068 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003169261 552298884 /nfs/dbraw/zinc/29/88/84/552298884.db2.gz LEEWSKKRFJNSTH-UHFFFAOYSA-N 0 0 509.584 5.300 50 30 KKEARN Cc1cc(I)c(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 ZINC000003170301 552298990 /nfs/dbraw/zinc/29/89/90/552298990.db2.gz BOFXJIJYLIDKDM-MZJWZYIUSA-N 0 0 510.375 7.162 50 30 KKEARN O=C(/C=C/c1ccccc1)Nc1ccc(C(OC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003182647 552300922 /nfs/dbraw/zinc/30/09/22/552300922.db2.gz 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535.094 6.018 50 30 KKEARN C=CCn1c(C)cc(C(=O)CSc2nc3sc(C)c(CC)c3c(=O)n2-c2ccc(OC)cc2C)c1C ZINC000003278984 552335102 /nfs/dbraw/zinc/33/51/02/552335102.db2.gz UWTXHYMIBNHGJJ-UHFFFAOYSA-N 0 0 521.708 6.214 50 30 KKEARN CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N ZINC000003288894 552339115 /nfs/dbraw/zinc/33/91/15/552339115.db2.gz UESNOKJQIFMASY-UHFFFAOYSA-N 0 0 501.062 5.456 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1 ZINC000003292243 552341290 /nfs/dbraw/zinc/34/12/90/552341290.db2.gz HIYOGCUKQJIVSC-UHFFFAOYSA-N 0 0 560.119 7.520 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3ccccc3C(=O)c3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003305646 552349034 /nfs/dbraw/zinc/34/90/34/552349034.db2.gz FWNISBUPOZELED-UHFFFAOYSA-N 0 0 586.600 6.529 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000003308079 552349991 /nfs/dbraw/zinc/34/99/91/552349991.db2.gz YKWJJPFQTSPOOW-HSZRJFAPSA-N 0 0 538.094 6.267 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2c(C)noc2C)c1 ZINC000003309661 552350952 /nfs/dbraw/zinc/35/09/52/552350952.db2.gz QTHAJTLDRYFJGM-UHFFFAOYSA-N 0 0 528.936 5.702 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl ZINC000003311572 552352234 /nfs/dbraw/zinc/35/22/34/552352234.db2.gz VDEAPAQTPOGPRX-UHFFFAOYSA-N 0 0 522.381 5.554 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1 ZINC000003314565 552353225 /nfs/dbraw/zinc/35/32/25/552353225.db2.gz WRRMTQZBDFYGSA-UHFFFAOYSA-N 0 0 554.871 5.585 50 30 KKEARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000003324712 552356582 /nfs/dbraw/zinc/35/65/82/552356582.db2.gz LFGXVCMJWMFVOM-CMDGGOBGSA-N 0 0 517.800 5.575 50 30 KKEARN COc1ccccc1N(CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003335856 552361119 /nfs/dbraw/zinc/36/11/19/552361119.db2.gz VAWXNNRKLVWHTG-YZSQISJMSA-N 0 0 544.595 5.790 50 30 KKEARN Cc1ccc(NC2=N[C@@](c3ccc(C)cc3)(C(F)(F)F)c3c(C(F)(F)F)nn(-c4ccccc4)c3O2)cc1 ZINC000003345085 552364477 /nfs/dbraw/zinc/36/44/77/552364477.db2.gz PZLLVIHMUNXKOI-RUZDIDTESA-N 0 0 530.472 6.984 50 30 KKEARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)C3=C4SC=C(c5ccccc5)N4CCCC3)c2)C[C@@H](C)O1 ZINC000003351272 552367091 /nfs/dbraw/zinc/36/70/91/552367091.db2.gz KAMCOHMCVGOYSF-WOJBJXKFSA-N 0 0 510.681 5.110 50 30 KKEARN C=CCn1c(SCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003357381 552369496 /nfs/dbraw/zinc/36/94/96/552369496.db2.gz CETRGVXPQUXMNC-HNNXBMFYSA-N 0 0 537.663 5.736 50 30 KKEARN C=C1C(C(=O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=S)N1c1cc(C)ccc1OC ZINC000003359015 552370342 /nfs/dbraw/zinc/37/03/42/552370342.db2.gz AKUNISDWSDZCED-SSEXGKCCSA-N 0 0 504.655 7.263 50 30 KKEARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(OCC#N)c(OC)c1)oc1ccccc12 ZINC000003360085 552370630 /nfs/dbraw/zinc/37/06/30/552370630.db2.gz NQGYWEBHOZQEAP-KAMXEHQASA-N 0 0 500.507 5.089 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl ZINC000003406687 552381319 /nfs/dbraw/zinc/38/13/19/552381319.db2.gz PRVNTCIPRRUXGZ-UHFFFAOYSA-N 0 0 500.970 5.756 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000003413994 552382558 /nfs/dbraw/zinc/38/25/58/552382558.db2.gz MHCVCGLANPYIMX-UHFFFAOYSA-N 0 0 500.989 5.098 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000003639949 552399648 /nfs/dbraw/zinc/39/96/48/552399648.db2.gz NVAYIMNXZLAEQS-FJZVYHFZSA-N 0 0 598.490 5.256 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000003640000 552399668 /nfs/dbraw/zinc/39/96/68/552399668.db2.gz CAPWOQQLWJDGPG-MYUZEXMDSA-N 0 0 572.123 6.024 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2sc(C)c(C)c2c1=O ZINC000003655271 552404233 /nfs/dbraw/zinc/40/42/33/552404233.db2.gz AUVJGLWUYZMNDW-UHFFFAOYSA-N 0 0 525.725 5.808 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cccc(OC)c3O)cc2s1 ZINC000003663807 552408046 /nfs/dbraw/zinc/40/80/46/552408046.db2.gz XZAZHXFYPBTKSF-RWPZCVJISA-N 0 0 505.665 6.617 50 30 KKEARN COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OCc1c(C)c(C)c(Br)c(C)c1C ZINC000003663919 552408063 /nfs/dbraw/zinc/40/80/63/552408063.db2.gz WKSJXOLVUICSMY-IPPBACCNSA-N 0 0 509.444 6.979 50 30 KKEARN COc1cc(/C=N/N2C(=O)c3ccccc3N[C@]2(C)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000003663874 552408075 /nfs/dbraw/zinc/40/80/75/552408075.db2.gz CKEIYTZSENXNFD-RPFADYPDSA-N 0 0 522.561 5.957 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccccc1 ZINC000003663705 552408085 /nfs/dbraw/zinc/40/80/85/552408085.db2.gz PYVOOSBXAFHRBI-UHFFFAOYSA-N 0 0 535.478 7.428 50 30 KKEARN COc1cc(/C=N/N2C(=O)c3ccccc3N[C@@]2(C)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000003663872 552408096 /nfs/dbraw/zinc/40/80/96/552408096.db2.gz CKEIYTZSENXNFD-RELXFMCYSA-N 0 0 522.561 5.957 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cs1 ZINC000003664822 552408585 /nfs/dbraw/zinc/40/85/85/552408585.db2.gz CHIPZQNVZDWZNZ-FQEVSTJZSA-N 0 0 580.342 6.254 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 ZINC000003664622 552408598 /nfs/dbraw/zinc/40/85/98/552408598.db2.gz PEXFPIUAAKIQJV-LJQANCHMSA-N 0 0 521.333 5.422 50 30 KKEARN Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c(C)c1 ZINC000003665941 552408777 /nfs/dbraw/zinc/40/87/77/552408777.db2.gz YMHDZLHKUQVALH-QNKGDIEWSA-N 0 0 505.459 8.941 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)NCCOc1ccccc1 ZINC000003668649 552410166 /nfs/dbraw/zinc/41/01/66/552410166.db2.gz MVQONDYWKTYFEI-MZJWZYIUSA-N 0 0 542.480 5.802 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000003669044 552410476 /nfs/dbraw/zinc/41/04/76/552410476.db2.gz CZYGRGSVGPWTIL-VPUKRXIYSA-N 0 0 540.419 8.103 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1c(F)c(F)c(F)c(F)c1F ZINC000003670856 552411967 /nfs/dbraw/zinc/41/19/67/552411967.db2.gz ZMTLNCODGAKUHY-PMERELPUSA-N 0 0 565.538 8.646 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n1)CCCC2 ZINC000003670960 552412117 /nfs/dbraw/zinc/41/21/17/552412117.db2.gz PFZQILRSEOHRGJ-UHFFFAOYSA-N 0 0 501.921 6.133 50 30 KKEARN COc1ccc(Br)cc1/C=C1\CC(C(C)(C)C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000003671036 552412212 /nfs/dbraw/zinc/41/22/12/552412212.db2.gz ZJFUERLOQULAKO-OMYAATJGSA-N 0 0 548.315 7.721 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003764235 552413784 /nfs/dbraw/zinc/41/37/84/552413784.db2.gz NBEAYZYTAQFWGM-UHFFFAOYSA-N 0 0 559.717 6.063 50 30 KKEARN Cc1ccc(S(=O)(=O)N(c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003766252 552414585 /nfs/dbraw/zinc/41/45/85/552414585.db2.gz KHHVTDVOLGXRQE-HXUWFJFHSA-N 0 0 542.748 5.972 50 30 KKEARN Cc1ccc(S(=O)(=O)N(c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003766251 552414622 /nfs/dbraw/zinc/41/46/22/552414622.db2.gz KHHVTDVOLGXRQE-FQEVSTJZSA-N 0 0 542.748 5.972 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000003768999 552415392 /nfs/dbraw/zinc/41/53/92/552415392.db2.gz FICTWUCCIKQQBM-DEDYPNTBSA-N 0 0 504.471 6.435 50 30 KKEARN N#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)c(C#N)c5)cc4)OC(=O)c4ccccc43)cc2)cc1C#N ZINC000004015784 552426802 /nfs/dbraw/zinc/42/68/02/552426802.db2.gz SRFJFXJGZQROGC-UHFFFAOYSA-N 0 0 570.564 7.220 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000004045973 552430865 /nfs/dbraw/zinc/43/08/65/552430865.db2.gz CBYMQLVMYYLDDT-DHUJRADRSA-N 0 0 589.713 8.079 50 30 KKEARN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000004047760 552431439 /nfs/dbraw/zinc/43/14/39/552431439.db2.gz HHJRYMNAYQGUNP-YCPBAFNGSA-N 0 0 526.174 6.093 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004048091 552431623 /nfs/dbraw/zinc/43/16/23/552431623.db2.gz FDIIONJIMGJBCA-AYWVHJORSA-N 0 0 516.682 6.102 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Br)cc3)N(c3ccc(C)cc3)C1=O)S2 ZINC000004048258 552431628 /nfs/dbraw/zinc/43/16/28/552431628.db2.gz JPKAANJSQIKULY-SMTACHQSSA-N 0 0 538.492 6.945 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(C)cc2)c(C)c1 ZINC000004048265 552431662 /nfs/dbraw/zinc/43/16/62/552431662.db2.gz VTZHDEOISCKMKG-XTUVAWEBSA-N 0 0 544.746 7.337 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4nc(C)sc4c3)N(c3ccc(C)cc3)C1=O)S2 ZINC000004048263 552431679 /nfs/dbraw/zinc/43/16/79/552431679.db2.gz CPZFIAMFKRHUGK-NPGLLJSBSA-N 0 0 530.700 7.100 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000004065056 552432149 /nfs/dbraw/zinc/43/21/49/552432149.db2.gz OKXGTSMGTRALDT-GZGVDWRWSA-N 0 0 532.640 7.262 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000004065687 552432463 /nfs/dbraw/zinc/43/24/63/552432463.db2.gz GBCCISHRAWTPDH-NJHZRGNWSA-N 0 0 507.630 6.580 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000004067538 552432974 /nfs/dbraw/zinc/43/29/74/552432974.db2.gz VVRPZBXUEUIJSX-VCTRWQRLSA-N 0 0 551.683 6.632 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067572 552432996 /nfs/dbraw/zinc/43/29/96/552432996.db2.gz RSJRVPDBZHQCFT-PIIWDFAUSA-N 0 0 580.519 6.791 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004067847 552433203 /nfs/dbraw/zinc/43/32/03/552433203.db2.gz AQLAIWANRXAKMY-NJHZRGNWSA-N 0 0 523.629 6.069 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000004068272 552433363 /nfs/dbraw/zinc/43/33/63/552433363.db2.gz UOFXXVJASTWENW-AYWVHJORSA-N 0 0 509.602 5.896 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004068295 552433385 /nfs/dbraw/zinc/43/33/85/552433385.db2.gz ZUBNLMZFJLOBGU-HRFSGMKKSA-N 0 0 542.097 6.102 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000004082231 552433889 /nfs/dbraw/zinc/43/38/89/552433889.db2.gz NEJJMKHQQYDKKH-WNSROMTISA-N 0 0 532.640 7.262 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)cc1Br ZINC000004083624 552434183 /nfs/dbraw/zinc/43/41/83/552434183.db2.gz HPQZVNXTBBRLSZ-SOKVYYICSA-N 0 0 505.412 6.446 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)cc1Br ZINC000004083627 552434194 /nfs/dbraw/zinc/43/41/94/552434194.db2.gz HPQZVNXTBBRLSZ-XGCWNURASA-N 0 0 505.412 6.446 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccc(Cl)cc5N4C)C(=O)N3c3cccc(C)c3)ccc2s1 ZINC000004088791 552434424 /nfs/dbraw/zinc/43/44/24/552434424.db2.gz MWBQWBJFCFSAFS-YXDHUCFLSA-N 0 0 535.119 7.745 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000004088760 552434431 /nfs/dbraw/zinc/43/44/31/552434431.db2.gz QBCDXKUPOOAIKM-HGHKWBERSA-N 0 0 535.138 7.673 50 30 KKEARN C[C@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1CCc1ccccc1)c1ccccc1 ZINC000004089421 552434661 /nfs/dbraw/zinc/43/46/61/552434661.db2.gz AAVWLGKUVWSPQC-ZLWAZXQASA-N 0 0 506.096 6.986 50 30 KKEARN C[C@@H](/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1CCc1ccccc1)c1ccccc1 ZINC000004089423 552434664 /nfs/dbraw/zinc/43/46/64/552434664.db2.gz AAVWLGKUVWSPQC-TVXALASSSA-N 0 0 506.096 6.986 50 30 KKEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc(C(F)(F)F)c2)N(CCc2ccccc2)C1=O ZINC000004089363 552434689 /nfs/dbraw/zinc/43/46/89/552434689.db2.gz DAQLLBSWWHFOKP-HUADZJQFSA-N 0 0 511.594 6.922 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccc(Cl)cc5N4C)C(=O)N3CCc3ccccc3)ccc2s1 ZINC000004091150 552435400 /nfs/dbraw/zinc/43/54/00/552435400.db2.gz JOHLHGFXGBPNQX-SSEVLGFUSA-N 0 0 549.146 7.475 50 30 KKEARN COc1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004092326 552435872 /nfs/dbraw/zinc/43/58/72/552435872.db2.gz ZDJGTGXEQWCWLS-GZCDXWOBSA-N 0 0 503.649 5.921 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\[C@H](C)c3ccccc3)N(CCc3ccccc3)C1=O)S2 ZINC000004092339 552435879 /nfs/dbraw/zinc/43/58/79/552435879.db2.gz OMWVXHZERZQDOP-BAQMTDJNSA-N 0 0 501.677 6.342 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004105716 552436907 /nfs/dbraw/zinc/43/69/07/552436907.db2.gz IJNDEAHUUZQVBT-FTFNAVKHSA-N 0 0 505.596 6.181 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc3ncccc3c2)N(C2CCCCC2)C1=O ZINC000004108282 552437156 /nfs/dbraw/zinc/43/71/56/552437156.db2.gz XFCDMLWUBZFHFK-YXDHUCFLSA-N 0 0 507.084 7.195 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000004111992 552438182 /nfs/dbraw/zinc/43/81/82/552438182.db2.gz NVUMFIZZQFIAQW-DJUQAAIZSA-N 0 0 544.047 6.549 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004111890 552438232 /nfs/dbraw/zinc/43/82/32/552438232.db2.gz USTWDZSWAPFALD-HLADLETHSA-N 0 0 528.048 6.632 50 30 KKEARN CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3O)cc2)CC1 ZINC000004121823 552439445 /nfs/dbraw/zinc/43/94/45/552439445.db2.gz NFGWKOWKTMPZNT-UXHLAJHPSA-N 0 0 540.889 6.208 50 30 KKEARN CCCC(=O)N1CCN(c2ccc(/N=C/c3c(O)c(OCC)cc(Br)c3Br)cc2)CC1 ZINC000004121786 552439464 /nfs/dbraw/zinc/43/94/64/552439464.db2.gz HIBAPSZJONWINR-CVKSISIWSA-N 0 0 553.295 5.515 50 30 KKEARN COc1ccc(NC(=S)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 ZINC000004231412 552451194 /nfs/dbraw/zinc/45/11/94/552451194.db2.gz GNTZJKIZKPNLGW-AFUMVMLFSA-N 0 0 514.401 5.006 50 30 KKEARN Brc1cc(Cc2cc(Br)c(OC[C@H]3CO3)c(Br)c2)cc(Br)c1OC[C@H]1CO1 ZINC000004552103 552466705 /nfs/dbraw/zinc/46/67/05/552466705.db2.gz GUGHYOFMFMXUQO-CHWSQXEVSA-N 0 0 627.949 5.883 50 30 KKEARN N#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5cccc(C#N)c5C#N)cc4)c4ccccc4-c4ccccc43)cc2)cc1C#N ZINC000004577178 552468395 /nfs/dbraw/zinc/46/83/95/552468395.db2.gz QFPPADYDTXDCJI-UHFFFAOYSA-N 0 0 602.653 9.121 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000004636714 552469800 /nfs/dbraw/zinc/46/98/00/552469800.db2.gz NCDLLOWHNAJHCS-JOCHJYFZSA-N 0 0 501.371 5.970 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=CN[C@@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004641140 552470064 /nfs/dbraw/zinc/47/00/64/552470064.db2.gz BIRIHEBCKOWNSO-RPBOFIJWSA-N 0 0 517.994 6.575 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788196 552482576 /nfs/dbraw/zinc/48/25/76/552482576.db2.gz KLOOPGODGRKKKM-WNSROMTISA-N 0 0 595.740 6.559 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788097 552482708 /nfs/dbraw/zinc/48/27/08/552482708.db2.gz MLURZKWFYWVRKR-QCBOHVIISA-N 0 0 595.740 6.559 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357175 552499211 /nfs/dbraw/zinc/49/92/11/552499211.db2.gz DRMWHLXMODOXMZ-JOCHJYFZSA-N 0 0 518.591 5.203 50 30 KKEARN C[C@@H](C(=O)Oc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000005433416 552501964 /nfs/dbraw/zinc/50/19/64/552501964.db2.gz DJXYBWQDRIAXEV-MYUZEXMDSA-N 0 0 572.617 5.214 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(N(C)C)cc2)cc1OC ZINC000005431970 552501998 /nfs/dbraw/zinc/50/19/98/552501998.db2.gz UMNQDRFZNBAWBB-BNHRFMORSA-N 0 0 551.687 6.079 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000005596983 552505480 /nfs/dbraw/zinc/50/54/80/552505480.db2.gz IHVYOTUGFUBPHR-GRIGKFEYSA-N 0 0 548.111 8.768 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005919012 552512062 /nfs/dbraw/zinc/51/20/62/552512062.db2.gz SXVICOHQOOEVAE-XMMPIXPASA-N 0 0 548.661 6.242 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000005928523 552513105 /nfs/dbraw/zinc/51/31/05/552513105.db2.gz DCEWQILGIJZSJN-CCLHPLFOSA-N 0 0 529.731 6.818 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000005944500 552514610 /nfs/dbraw/zinc/51/46/10/552514610.db2.gz HHHBYMJZJYDXGC-LHAPQZOASA-N 0 0 591.151 8.861 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 ZINC000005944464 552514685 /nfs/dbraw/zinc/51/46/85/552514685.db2.gz WWHVAYPKLAFGHR-LQKURTRISA-N 0 0 524.484 6.062 50 30 KKEARN CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(Cl)c3)c2C#N)cc1 ZINC000006075505 552527456 /nfs/dbraw/zinc/52/74/56/552527456.db2.gz ULOTYZDNXNHKLF-UHFFFAOYSA-N 0 0 512.078 7.969 50 30 KKEARN COc1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1OCc1ccc(Cl)cc1Cl ZINC000006077208 552528440 /nfs/dbraw/zinc/52/84/40/552528440.db2.gz IKRUEPWKIWXHJR-WJOKGBTCSA-N 0 0 558.505 9.044 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006077118 552528453 /nfs/dbraw/zinc/52/84/53/552528453.db2.gz VEHHJBHZRWPMCV-HKBQPEDESA-N 0 0 588.582 8.877 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000006077189 552528458 /nfs/dbraw/zinc/52/84/58/552528458.db2.gz VNPHVXSZOFXIKP-SSEXGKCCSA-N 0 0 528.479 9.035 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000006089749 552532640 /nfs/dbraw/zinc/53/26/40/552532640.db2.gz UKBTWAKTCMDKDX-UHFFFAOYSA-N 0 0 629.738 7.782 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000006090103 552533764 /nfs/dbraw/zinc/53/37/64/552533764.db2.gz USJOGBWBUMBEAF-UHFFFAOYSA-N 0 0 514.050 7.379 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000006131709 552535228 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/nfs/dbraw/zinc/00/70/20/553007020.db2.gz WEHRXEJTYQXHOW-LYIOYCTOSA-N 0 0 526.636 6.655 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000008406723 553007439 /nfs/dbraw/zinc/00/74/39/553007439.db2.gz JIUCMOFQPPNNPR-PIZLXQTQSA-N 0 0 519.000 6.302 50 30 KKEARN Cc1cccc(OCCn2cc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)c3ccccc32)c1 ZINC000008407574 553008612 /nfs/dbraw/zinc/00/86/12/553008612.db2.gz VOAVZKXPPRUURF-NJZRLIGZSA-N 0 0 509.658 5.465 50 30 KKEARN C=CCc1cc(/C=C2\C(=O)N=C3SC(C4CCCCC4)=NN3C2=N)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000008411237 553009697 /nfs/dbraw/zinc/00/96/97/553009697.db2.gz DPUBHHLMOWZTKU-APUKAWEPSA-N 0 0 564.689 5.391 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nnc(C)s3)c2C#N)cc(OC)c1OC ZINC000008412194 553009969 /nfs/dbraw/zinc/00/99/69/553009969.db2.gz HZLWIFDESIKGHA-UHFFFAOYSA-N 0 0 533.635 5.204 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008412488 553010006 /nfs/dbraw/zinc/01/00/06/553010006.db2.gz XAWOFWOWAQDZHM-SANMLTNESA-N 0 0 507.590 6.203 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000008412951 553010071 /nfs/dbraw/zinc/01/00/71/553010071.db2.gz ICYNZNJPDGLSKI-UHFFFAOYSA-N 0 0 571.727 8.526 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000008413292 553010095 /nfs/dbraw/zinc/01/00/95/553010095.db2.gz FKIJNTSYNQKBLL-FQEVSTJZSA-N 0 0 517.767 5.012 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008413129 553010121 /nfs/dbraw/zinc/01/01/21/553010121.db2.gz XQASWRBPCXGCEO-XMMPIXPASA-N 0 0 503.624 5.556 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cc(C)sc1C ZINC000008415682 553011065 /nfs/dbraw/zinc/01/10/65/553011065.db2.gz FLTDAPJTDHUDJF-NQHRYMMQSA-N 0 0 523.651 5.087 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cc(C)sc1C ZINC000008415687 553011075 /nfs/dbraw/zinc/01/10/75/553011075.db2.gz FLTDAPJTDHUDJF-SDUSCBPUSA-N 0 0 523.651 5.087 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000008416204 553012025 /nfs/dbraw/zinc/01/20/25/553012025.db2.gz CBAIXGULIRHKSO-BUUDZMLXSA-N 0 0 557.565 5.428 50 30 KKEARN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)c(=O)n32)cc1 ZINC000008424304 553013154 /nfs/dbraw/zinc/01/31/54/553013154.db2.gz KTWDOJQSKGLYHX-ITIZVALFSA-N 0 0 539.440 5.400 50 30 KKEARN COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(OCc5cccc6ccccc65)cc4)c(=O)n32)cc1 ZINC000008424310 553013160 /nfs/dbraw/zinc/01/31/60/553013160.db2.gz XJOXRCLSMMZEPL-SAGCDJCOSA-N 0 0 560.675 5.565 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000008425207 553015052 /nfs/dbraw/zinc/01/50/52/553015052.db2.gz WSDVIACABPECES-QXUFZFKLSA-N 0 0 651.395 7.224 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](C(=O)OCC)[C@@H](OC(=O)CCCCCCCCCCC)c1ccccc1 ZINC000008425408 553015436 /nfs/dbraw/zinc/01/54/36/553015436.db2.gz OKUWXYARPJNDGU-NOCHOARKSA-N 0 0 573.859 9.161 50 30 biogenic KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c2C#N)cc1OC ZINC000008426247 553017990 /nfs/dbraw/zinc/01/79/90/553017990.db2.gz MXISOIIYPLOXCJ-UHFFFAOYSA-N 0 0 566.708 6.847 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426289 553018079 /nfs/dbraw/zinc/01/80/79/553018079.db2.gz WWACXUWSHFCXGU-HOWWCDQJSA-N 0 0 642.634 8.668 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426309 553018130 /nfs/dbraw/zinc/01/81/30/553018130.db2.gz LMYZYUUPRHAROB-GYWYTVIISA-N 0 0 656.661 9.058 50 30 KKEARN C=CCSc1nc(N)c(C(c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c2c(N)nc(SCC=C)[nH]c2=O)c(=O)[nH]1 ZINC000008426385 553018436 /nfs/dbraw/zinc/01/84/36/553018436.db2.gz QKZKKWUZAQVYPH-UHFFFAOYSA-N 0 0 631.187 5.260 50 30 KKEARN COc1cc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)cc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008426925 553019071 /nfs/dbraw/zinc/01/90/71/553019071.db2.gz ALCJXAZFWTTZSD-WAJJMWJGSA-N 0 0 800.693 10.215 50 30 KKEARN O=C(Nc1ccc(Cl)cn1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000008426947 553019119 /nfs/dbraw/zinc/01/91/19/553019119.db2.gz CYIJBRCBMNCHOZ-UHFFFAOYSA-N 0 0 522.601 5.207 50 30 KKEARN COc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccc3ccccc3c2)nc(N2CCOCC2)n1 ZINC000008427521 553020083 /nfs/dbraw/zinc/02/00/83/553020083.db2.gz BQYPXPWRRYVOQS-RWPZCVJISA-N 0 0 707.314 5.269 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc3ccccc3n2)cc1 ZINC000008427528 553020113 /nfs/dbraw/zinc/02/01/13/553020113.db2.gz RJBNLKOTFOUXMI-RGJYROARSA-N 0 0 524.664 8.634 50 30 KKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)o1 ZINC000008427649 553020330 /nfs/dbraw/zinc/02/03/30/553020330.db2.gz OTEWRSBWBZYOFT-IPPBACCNSA-N 0 0 505.361 7.844 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccccc23)C1=O ZINC000008430193 553021048 /nfs/dbraw/zinc/02/10/48/553021048.db2.gz VUUSQANSAQMDFJ-JTOYMXJDSA-N 0 0 529.662 5.586 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000008430226 553021084 /nfs/dbraw/zinc/02/10/84/553021084.db2.gz HKPCOORUMHTBPZ-HBIPHATFSA-N 0 0 579.447 6.183 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000008430235 553021085 /nfs/dbraw/zinc/02/10/85/553021085.db2.gz AKCFXRRKXSYBFF-CRYYWNKWSA-N 0 0 517.412 7.388 50 30 KKEARN COc1cc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000008430259 553021291 /nfs/dbraw/zinc/02/12/91/553021291.db2.gz ZZNOVIDYPKCGOU-ZQHDKMAOSA-N 0 0 546.620 5.718 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1cccc(Br)c1 ZINC000008431114 553022377 /nfs/dbraw/zinc/02/23/77/553022377.db2.gz SIGNMOLMUMXFTJ-GQQDBOJASA-N 0 0 787.548 10.249 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008431120 553022396 /nfs/dbraw/zinc/02/23/96/553022396.db2.gz DSOCIAZTFLTVEI-QEWUMVGNSA-N 0 0 825.208 10.556 50 30 KKEARN N#C[C@@]1(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000008431099 553022419 /nfs/dbraw/zinc/02/24/19/553022419.db2.gz JHLFSTDSLSFEIA-IPAVHTEYSA-N 0 0 828.350 11.657 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2C)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1C ZINC000008431138 553022423 /nfs/dbraw/zinc/02/24/23/553022423.db2.gz JFLNVJYZFUGLFX-PHPRYWTDSA-N 0 0 626.580 8.341 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000008431416 553022863 /nfs/dbraw/zinc/02/28/63/553022863.db2.gz KLLYFIXXGBDHCL-LJAQVGFWSA-N 0 0 557.477 7.963 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1c(Cl)cccc1Cl ZINC000008432137 553025139 /nfs/dbraw/zinc/02/51/39/553025139.db2.gz YKKXAZLTUJANSV-MUUNZHRXSA-N 0 0 505.445 7.379 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(=O)OCC)cc(C(=O)OCC)c2)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000008433043 553027699 /nfs/dbraw/zinc/02/76/99/553027699.db2.gz PCDRKPASVYCQTI-UHFFFAOYSA-N 0 0 581.672 5.297 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008433427 553028845 /nfs/dbraw/zinc/02/88/45/553028845.db2.gz XUOOPKKUYXYYJF-MUUNZHRXSA-N 0 0 532.681 5.158 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc(I)c1 ZINC000008434804 553029103 /nfs/dbraw/zinc/02/91/03/553029103.db2.gz VSLZHGXGWWQLEI-AJBULDERSA-N 0 0 655.541 5.521 50 30 KKEARN CCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H](O)c1ccccc1 ZINC000008435385 553030232 /nfs/dbraw/zinc/03/02/32/553030232.db2.gz XOIHEMQFVXVZOZ-WUFINQPMSA-N 0 0 535.662 5.182 50 30 KKEARN CCOc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Br)c1OCc1cccc2ccccc21 ZINC000008437253 553031603 /nfs/dbraw/zinc/03/16/03/553031603.db2.gz YAHUKMSLWOGHJL-DBSPGSINSA-N 0 0 645.663 9.333 50 30 KKEARN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000008438489 553034295 /nfs/dbraw/zinc/03/42/95/553034295.db2.gz JUFALTDOXHTDQY-FDAWAROLSA-N 0 0 554.070 5.678 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1Cl ZINC000008438567 553034392 /nfs/dbraw/zinc/03/43/92/553034392.db2.gz LIVCEYDBRGOCEQ-UHFFFAOYSA-N 0 0 553.070 7.857 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000008439084 553035459 /nfs/dbraw/zinc/03/54/59/553035459.db2.gz SEWCFBKAJDVRLE-UHFFFAOYSA-N 0 0 779.737 8.652 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000008440108 553036415 /nfs/dbraw/zinc/03/64/15/553036415.db2.gz SROMXQBADSHLKA-YTTGMZPUSA-N 0 0 563.650 6.494 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000008440233 553036995 /nfs/dbraw/zinc/03/69/95/553036995.db2.gz JKLLWSGFDNBPBK-ZITMISKDSA-N 0 0 585.653 5.581 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000008440241 553037034 /nfs/dbraw/zinc/03/70/34/553037034.db2.gz JKLLWSGFDNBPBK-DSXODZLMSA-N 0 0 585.653 5.581 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000008440296 553037244 /nfs/dbraw/zinc/03/72/44/553037244.db2.gz FFXQAOYDWOTTMC-HMILPKGGSA-N 0 0 574.475 5.862 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccc(C#N)cc1 ZINC000008440500 553037705 /nfs/dbraw/zinc/03/77/05/553037705.db2.gz ARFCYWWTTNMIKS-URNDWHGUSA-N 0 0 596.687 6.541 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000008440579 553037886 /nfs/dbraw/zinc/03/78/86/553037886.db2.gz HEGZDHXSJVILOC-MUUNZHRXSA-N 0 0 619.738 6.970 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)s1 ZINC000008440791 553038703 /nfs/dbraw/zinc/03/87/03/553038703.db2.gz IPVYOKYNQWJJFE-XMMPIXPASA-N 0 0 530.484 6.175 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)s1 ZINC000008440788 553038720 /nfs/dbraw/zinc/03/87/20/553038720.db2.gz IPVYOKYNQWJJFE-DEOSSOPVSA-N 0 0 530.484 6.175 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 ZINC000008440897 553038998 /nfs/dbraw/zinc/03/89/98/553038998.db2.gz CSJPYOAGVSIHGX-NDEPHWFRSA-N 0 0 503.639 5.976 50 30 KKEARN CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2C#N)cc1 ZINC000008441121 553039475 /nfs/dbraw/zinc/03/94/75/553039475.db2.gz CHJOXNQTGQVVMY-UHFFFAOYSA-N 0 0 512.078 7.969 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2C#N)cc1OC ZINC000008441306 553040463 /nfs/dbraw/zinc/04/04/63/553040463.db2.gz HKEYOBDOEMIVNI-UHFFFAOYSA-N 0 0 563.601 7.363 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2cccc3ccccc32)c1C#N ZINC000008441454 553040668 /nfs/dbraw/zinc/04/06/68/553040668.db2.gz DGXYKFKELJTDPY-UHFFFAOYSA-N 0 0 515.638 7.488 50 30 KKEARN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3Cl)c2C#N)cc1 ZINC000008441368 553040703 /nfs/dbraw/zinc/04/07/03/553040703.db2.gz XHKIFGGMHPHIOO-UHFFFAOYSA-N 0 0 514.006 6.458 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000008441478 553040891 /nfs/dbraw/zinc/04/08/91/553040891.db2.gz NKVCWTQAJXLLBS-OBBJCRILSA-N 0 0 525.601 5.346 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008441660 553041406 /nfs/dbraw/zinc/04/14/06/553041406.db2.gz JQDKNKVDMXXZNE-GDLZYMKVSA-N 0 0 582.678 7.711 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441706 553041784 /nfs/dbraw/zinc/04/17/84/553041784.db2.gz ZMENDBZWKSNCLF-MUUNZHRXSA-N 0 0 552.652 7.621 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008441697 553041890 /nfs/dbraw/zinc/04/18/90/553041890.db2.gz YHRHIUTWRGBQNM-MHZLTWQESA-N 0 0 554.624 6.850 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)s1 ZINC000008441828 553042707 /nfs/dbraw/zinc/04/27/07/553042707.db2.gz STQBYUIZASCOSA-XMMPIXPASA-N 0 0 502.101 6.779 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=Nc3ccccc3)Nc3ccccc3)C2=O)cc1 ZINC000008442648 553044160 /nfs/dbraw/zinc/04/41/60/553044160.db2.gz PFDBTOQIEWWCSZ-AREMUKBSSA-N 0 0 501.652 6.811 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000008442885 553044678 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CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444385 553050183 /nfs/dbraw/zinc/05/01/83/553050183.db2.gz SQNLOVGMGPBLCH-JCVFDAPQSA-N 0 0 559.685 7.886 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008445053 553052927 /nfs/dbraw/zinc/05/29/27/553052927.db2.gz CUUBOOGZSDIXGV-HEIROHQZSA-N 0 0 539.632 7.084 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(N(CC)CC)cc3)C2)[C@H]1c1ccco1 ZINC000008445069 553053120 /nfs/dbraw/zinc/05/31/20/553053120.db2.gz HJXSFSNWYRJIMN-CAQRMWTPSA-N 0 0 525.693 7.607 50 30 KKEARN Clc1ccc(-c2nnc(-c3ccccc3)c(OCC#CCOc3nc(-c4ccc(Cl)cc4)nnc3-c3ccccc3)n2)cc1 ZINC000008445211 553053663 /nfs/dbraw/zinc/05/36/63/553053663.db2.gz LBLCFEKNCOMOPY-UHFFFAOYSA-N 0 0 617.496 7.493 50 30 KKEARN CC(=O)c1cccc(N=C2c3ccccc3C(SC3=C(c4ccccc4)C(=Nc4cccc(C(C)=O)c4)c4ccccc43)=C2c2ccccc2)c1 ZINC000008445566 553054447 /nfs/dbraw/zinc/05/44/47/553054447.db2.gz 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Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccccc1C ZINC000008451366 553060792 /nfs/dbraw/zinc/06/07/92/553060792.db2.gz HDLWSMYJDIXNON-RUMWWMSVSA-N 0 0 522.701 5.918 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc2n1Cc1ccccc1Cl ZINC000008451365 553060793 /nfs/dbraw/zinc/06/07/93/553060793.db2.gz BUXJSLZZYWWOTL-UXHLAJHPSA-N 0 0 515.065 5.483 50 30 KKEARN Clc1ccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)cc1 ZINC000008451381 553060971 /nfs/dbraw/zinc/06/09/71/553060971.db2.gz DVZJSWPBWZBGKJ-RUMWWMSVSA-N 0 0 559.118 5.985 50 30 KKEARN O=C(Cn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000008451383 553060993 /nfs/dbraw/zinc/06/09/93/553060993.db2.gz MODMFYUEQJWIAT-NNLKUIAGSA-N 0 0 678.266 7.736 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452347 553063556 /nfs/dbraw/zinc/06/35/56/553063556.db2.gz ZEWMKXFRQJXFOU-PKNUDXBSSA-N 0 0 581.488 6.447 50 30 KKEARN 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30 KKEARN N#Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@]2(c4ccc(Cl)cc4)C(=O)[C@@]3(c3ccc(Cl)cc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000008454064 553067392 /nfs/dbraw/zinc/06/73/92/553067392.db2.gz FJRUVCULFZOVDI-ACPGKARMSA-N 0 0 651.549 8.054 50 30 KKEARN N#Cc1c(NC(=O)c2cccc(COc3ccccc3Br)c2)sc2c1CCCCCCCCCC2 ZINC000008454961 553070283 /nfs/dbraw/zinc/07/02/83/553070283.db2.gz RSJZHHNKUGPVNX-UHFFFAOYSA-N 0 0 551.550 8.433 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455740 553073380 /nfs/dbraw/zinc/07/33/80/553073380.db2.gz ONDJKFDKJMMEOH-QYBDOPJKSA-N 0 0 510.943 7.111 50 30 KKEARN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(Cc4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1Cl ZINC000008461802 553075198 /nfs/dbraw/zinc/07/51/98/553075198.db2.gz NWEISJSSCIVOPG-UHFFFAOYSA-N 0 0 637.220 8.552 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(I)c1OCC(=O)Nc1cccc(C)c1 ZINC000008461828 553075422 /nfs/dbraw/zinc/07/54/22/553075422.db2.gz VVPZXPWBYHRSHS-UHFFFAOYSA-N 0 0 613.448 5.754 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C2=C1CCCC2=O ZINC000008461838 553075459 /nfs/dbraw/zinc/07/54/59/553075459.db2.gz IOAKBKHSESVEDZ-UHFFFAOYSA-N 0 0 640.518 6.059 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008465706 553075687 /nfs/dbraw/zinc/07/56/87/553075687.db2.gz JMLCACZXXMRYOH-LJAQVGFWSA-N 0 0 504.586 6.056 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc(I)c1OCc1ccccc1Cl ZINC000008492410 553075903 /nfs/dbraw/zinc/07/59/03/553075903.db2.gz LYCLDZBWHWZDIH-OCSSWDANSA-N 0 0 632.934 5.969 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008559372 553077735 /nfs/dbraw/zinc/07/77/35/553077735.db2.gz WISRECGSAIRTEM-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(/c1c(Cl)cccc1Cl)N1CCCC1 ZINC000008616529 553102477 /nfs/dbraw/zinc/10/24/77/553102477.db2.gz YGLXARVWSVAQBZ-HFTWOUSFSA-N 0 0 513.208 6.878 50 30 KKEARN CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000008626749 553104189 /nfs/dbraw/zinc/10/41/89/553104189.db2.gz AYEIBLQKUIMIHL-JXPUGNQCSA-N 0 0 542.674 6.005 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O/N=C(\C)c2ccc(OC)c(CSc3ccccn3)c2)cc1 ZINC000008629696 553105029 /nfs/dbraw/zinc/10/50/29/553105029.db2.gz NYXXIOSFOWNQPD-MWAVMZGNSA-N 0 0 555.722 5.774 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C(c2ccc(Cl)cc2Cl)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000008636847 553105619 /nfs/dbraw/zinc/10/56/19/553105619.db2.gz YAKVYAAFRMJZGZ-WIOPSUGQSA-N 0 0 509.349 5.735 50 30 KKEARN CCc1cc2c(cc1/C(C)=N/N=C(\C)c1cc3c(cc1CC)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C ZINC000008642221 553106158 /nfs/dbraw/zinc/10/61/58/553106158.db2.gz WDWYONVZRRAWTA-DNJOOXRZSA-N 0 0 512.826 9.743 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NC1CCCC[C@H]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000008648403 553106976 /nfs/dbraw/zinc/10/69/76/553106976.db2.gz BKLRSXBIJKSCDS-JPSDJXEESA-N 0 0 503.930 6.089 50 30 KKEARN O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000008681091 553112325 /nfs/dbraw/zinc/11/23/25/553112325.db2.gz UPENEFXSLFBXIK-UHFFFAOYSA-N 0 0 563.373 5.019 50 30 KKEARN CC(C)C[C@H](C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)N1C(=O)c2ccccc2C1=O ZINC000008685732 553114783 /nfs/dbraw/zinc/11/47/83/553114783.db2.gz QEBSGLRDNLYDIO-RUZDIDTESA-N 0 0 503.558 6.135 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C/c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000008687240 553116570 /nfs/dbraw/zinc/11/65/70/553116570.db2.gz BFVVIKQZORUZPC-ZYVHIHPKSA-N 0 0 513.557 6.123 50 30 KKEARN C=CCn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nnc1C(c1ccccc1)c1ccccc1 ZINC000008694489 553120020 /nfs/dbraw/zinc/12/00/20/553120020.db2.gz HHFBCFBENBOOJE-UHFFFAOYSA-N 0 0 561.110 7.957 50 30 KKEARN Clc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCOCC4)n3)o2)c1Cl ZINC000008694743 553120368 /nfs/dbraw/zinc/12/03/68/553120368.db2.gz CYNOZCXOHKGXBB-JFLMPSFJSA-N 0 0 510.385 5.465 50 30 KKEARN O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=[NH+][N-]c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008694678 553120414 /nfs/dbraw/zinc/12/04/14/553120414.db2.gz HBSXFQWKCPFFOI-FSIULUKDSA-N 0 0 520.041 6.073 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008694797 553120603 /nfs/dbraw/zinc/12/06/03/553120603.db2.gz BXEBATSEMIPGPB-YTTGMZPUSA-N 0 0 582.056 7.894 50 30 KKEARN Clc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008694768 553120640 /nfs/dbraw/zinc/12/06/40/553120640.db2.gz BWAGSYNTMSJKLO-UXHLAJHPSA-N 0 0 584.950 6.293 50 30 KKEARN CN1C(=O)C(=C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c2ccc(Cl)cc2)C(=O)N(C)C1=O ZINC000008695063 553120980 /nfs/dbraw/zinc/12/09/80/553120980.db2.gz YNUUEDQMIPVLGP-MXNGAVTRSA-N 0 0 543.023 5.099 50 30 KKEARN COc1ccc(C(NCCc2c[nH]c3ccccc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695172 553121165 /nfs/dbraw/zinc/12/11/65/553121165.db2.gz GUOPWTADODQRJH-LLZINOMRSA-N 0 0 556.622 6.025 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000008695502 553121704 /nfs/dbraw/zinc/12/17/04/553121704.db2.gz CAILHPAKVDBOBF-UXHLAJHPSA-N 0 0 546.031 5.139 50 30 KKEARN Brc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc(Br)c1OCc1ccccc1 ZINC000008695528 553121929 /nfs/dbraw/zinc/12/19/29/553121929.db2.gz FBCLEALEXUXTJD-OCSSWDANSA-N 0 0 623.353 6.765 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008695586 553122247 /nfs/dbraw/zinc/12/22/47/553122247.db2.gz MHFJRRFBLLMGGM-STSLRJEXSA-N 0 0 602.731 8.096 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695598 553122275 /nfs/dbraw/zinc/12/22/75/553122275.db2.gz FBDPOSQCOIOTCW-SIBVEZHUSA-N 0 0 510.943 7.111 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)NC(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)SC)c1 ZINC000008715205 553128654 /nfs/dbraw/zinc/12/86/54/553128654.db2.gz CSYQMLRTTPTKTB-UHFFFAOYSA-N 0 0 502.458 5.261 50 30 KKEARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000008721916 553129684 /nfs/dbraw/zinc/12/96/84/553129684.db2.gz PGTQMABHKJYUBH-SYCUDMLVSA-N 0 0 521.602 5.512 50 30 KKEARN C=CCc1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000008722622 553130122 /nfs/dbraw/zinc/13/01/22/553130122.db2.gz LUQPJLNTJLQALN-DPWJMMOYSA-N 0 0 510.890 7.188 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)Nc1nc2ccccc2s1 ZINC000008739064 553130991 /nfs/dbraw/zinc/13/09/91/553130991.db2.gz VVKMQWADMGZMJW-UHFFFAOYSA-N 0 0 513.047 7.281 50 30 KKEARN COc1ccccc1-c1cc(-c2cccs2)nc(SCC(=O)Nc2nc3ccccc3s2)c1C#N ZINC000008739474 553131281 /nfs/dbraw/zinc/13/12/81/553131281.db2.gz BADJNWXCXQLMPE-UHFFFAOYSA-N 0 0 514.657 6.698 50 30 KKEARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000008740093 553131922 /nfs/dbraw/zinc/13/19/22/553131922.db2.gz KMDHIRGFRAIIQQ-CQIGZMNDSA-N 0 0 524.767 7.407 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008741106 553132460 /nfs/dbraw/zinc/13/24/60/553132460.db2.gz RRQIYSTUTXRUDL-JQJBXXCASA-N 0 0 507.678 7.234 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008742534 553133321 /nfs/dbraw/zinc/13/33/21/553133321.db2.gz JBWYPAQFZYNKQX-XMMPIXPASA-N 0 0 518.566 5.798 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742895 553133598 /nfs/dbraw/zinc/13/35/98/553133598.db2.gz HIQQGMXWLOOHQC-NRFANRHFSA-N 0 0 506.605 5.720 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008743954 553133996 /nfs/dbraw/zinc/13/39/96/553133996.db2.gz IYNFESMRPQIHDU-JOCHJYFZSA-N 0 0 506.605 5.720 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008744254 553134201 /nfs/dbraw/zinc/13/42/01/553134201.db2.gz INDRSUWJZPBGKS-OAQYLSRUSA-N 0 0 520.607 5.327 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccc(F)cc2)cc1 ZINC000008754547 553135899 /nfs/dbraw/zinc/13/58/99/553135899.db2.gz CMOQEAKSMQMAOF-QHCPKHFHSA-N 0 0 516.594 5.140 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1OC ZINC000008756704 553136220 /nfs/dbraw/zinc/13/62/20/553136220.db2.gz VJGQYPIHNSOSND-XCKNBCKJSA-N 0 0 557.610 6.521 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)CSc2ccc(Cl)cc2)n1 ZINC000008758813 553137249 /nfs/dbraw/zinc/13/72/49/553137249.db2.gz GHRUTWFWSGRNTF-UHFFFAOYSA-N 0 0 527.481 5.801 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008767953 553139976 /nfs/dbraw/zinc/13/99/76/553139976.db2.gz ZYSVDVFAWZLEJE-NFQMXDRXSA-N 0 0 506.524 6.467 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000008780018 553144184 /nfs/dbraw/zinc/14/41/84/553144184.db2.gz HLBAQWCWOBLWSR-MHZLTWQESA-N 0 0 513.590 5.328 50 30 KKEARN O=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000008781226 553144558 /nfs/dbraw/zinc/14/45/58/553144558.db2.gz ZAUZYARNHCGTEH-SKBVKDTKSA-N 0 0 527.693 8.389 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000008781240 553144605 /nfs/dbraw/zinc/14/46/05/553144605.db2.gz OLFSKASIILWHJR-SANMLTNESA-N 0 0 506.440 7.319 50 30 KKEARN COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c([C@H](C#N)c4ccc(Cl)cc4)cc3C)CC2=O)cc1 ZINC000008782413 553145005 /nfs/dbraw/zinc/14/50/05/553145005.db2.gz OAESAJHCAMZQDZ-WZONZLPQSA-N 0 0 508.405 5.958 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008836942 553163509 /nfs/dbraw/zinc/16/35/09/553163509.db2.gz UCBLJZZGELJEOX-CYFIQEHSSA-N 0 0 528.652 7.576 50 30 KKEARN C=CCSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000008837952 553164628 /nfs/dbraw/zinc/16/46/28/553164628.db2.gz SQRQNACVCBPRTD-XMHGGMMESA-N 0 0 500.070 5.900 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845735 553165777 /nfs/dbraw/zinc/16/57/77/553165777.db2.gz FVGXIPKEBQJGLU-FYSMJZIKSA-N 0 0 519.623 5.522 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000008846360 553166037 /nfs/dbraw/zinc/16/60/37/553166037.db2.gz DBOABUYSCPZZAG-JPQMRUPTSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccs1 ZINC000008846355 553166080 /nfs/dbraw/zinc/16/60/80/553166080.db2.gz KOSGRGSZYAPMSN-JIYROHSKSA-N 0 0 526.746 8.527 50 30 KKEARN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Sc4ccccc4)cc3)[nH]2)cc1)c1ccccc1 ZINC000008853992 553166807 /nfs/dbraw/zinc/16/68/07/553166807.db2.gz XFFDXRXYXZMWGX-UHFFFAOYSA-N 0 0 504.658 8.962 50 30 KKEARN Cc1nc2cc(C)ccn2c1/C(CSc1ccc(Cl)cc1)=N/OCc1ccc(C(F)(F)F)cc1 ZINC000008857251 553168060 /nfs/dbraw/zinc/16/80/60/553168060.db2.gz OIFBPVORCNIBRX-DFKUXCBWSA-N 0 0 503.977 7.337 50 30 KKEARN CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@](C#N)(c2ccccc2)C3)cc1OC ZINC000008861330 553170252 /nfs/dbraw/zinc/17/02/52/553170252.db2.gz ZVLIXZFKMVDYLQ-LJAQVGFWSA-N 0 0 518.635 5.925 50 30 KKEARN CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000008861328 553170306 /nfs/dbraw/zinc/17/03/06/553170306.db2.gz DSNFNLCEPRSWMM-RUZDIDTESA-N 0 0 509.425 5.890 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)C(F)(F)F)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000008863808 553170535 /nfs/dbraw/zinc/17/05/35/553170535.db2.gz SURRITGOIOIUCH-SDHSZQHLSA-N 0 0 503.911 6.540 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1 ZINC000008872307 553172919 /nfs/dbraw/zinc/17/29/19/553172919.db2.gz CVDUQVPIHNPOFT-AJBULDERSA-N 0 0 517.593 6.392 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008872330 553173112 /nfs/dbraw/zinc/17/31/12/553173112.db2.gz HSIIDFPBAMWFAR-KCSSXMTESA-N 0 0 594.503 6.182 50 30 KKEARN Cc1ccccc1Nc1nc(N=NCc2cc(I)ccc2O)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008872722 553173811 /nfs/dbraw/zinc/17/38/11/553173811.db2.gz QHZCPWDVFNAPKB-DHRITJCHSA-N 0 0 582.362 5.332 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872784 553174049 /nfs/dbraw/zinc/17/40/49/553174049.db2.gz XNSHZTOFXPEKNI-MWLSYYOVSA-N 0 0 565.550 6.498 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3c(Cl)cccc3Cl)nc(NCc3ccccc3)n2)cc1 ZINC000008872874 553174273 /nfs/dbraw/zinc/17/42/73/553174273.db2.gz DPCQYTGCDCESDE-MZJWZYIUSA-N 0 0 509.357 5.888 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(Cl)c(Cl)c3)nc(N3CCCCCC3)n2)cc1 ZINC000008872907 553174325 /nfs/dbraw/zinc/17/43/25/553174325.db2.gz ZMRAPQNSARZGDW-QFEZKATASA-N 0 0 501.378 5.657 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000008872893 553174334 /nfs/dbraw/zinc/17/43/34/553174334.db2.gz DTIPVKVQVZRUCK-WGOQTCKBSA-N 0 0 529.517 5.128 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)cc1OC ZINC000008872829 553174359 /nfs/dbraw/zinc/17/43/59/553174359.db2.gz UQLJBSSBKGUODG-JFLMPSFJSA-N 0 0 514.546 5.347 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000008872977 553174587 /nfs/dbraw/zinc/17/45/87/553174587.db2.gz TUWTVUPBKVWBQN-ZSNJKBEMSA-N 0 0 637.591 7.923 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000008892719 553176839 /nfs/dbraw/zinc/17/68/39/553176839.db2.gz MRASOZFGYHVTLC-SANMLTNESA-N 0 0 503.599 5.126 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008892814 553177016 /nfs/dbraw/zinc/17/70/16/553177016.db2.gz PZTHWWNFOCMJKQ-SANMLTNESA-N 0 0 527.061 5.128 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008894078 553177526 /nfs/dbraw/zinc/17/75/26/553177526.db2.gz RDPOIGAXEHZRCK-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008894124 553177553 /nfs/dbraw/zinc/17/75/53/553177553.db2.gz VDENTRCCZPUCGY-HSZRJFAPSA-N 0 0 504.995 6.304 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894515 553177771 /nfs/dbraw/zinc/17/77/71/553177771.db2.gz KVFPUQCKDZFZFM-SANMLTNESA-N 0 0 512.631 6.739 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008895509 553178155 /nfs/dbraw/zinc/17/81/55/553178155.db2.gz QCGANVWACSGQCV-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008898650 553180367 /nfs/dbraw/zinc/18/03/67/553180367.db2.gz LBEQHJZEMBIHFR-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008899584 553180793 /nfs/dbraw/zinc/18/07/93/553180793.db2.gz BYGMPYGHBDTNNG-QHCPKHFHSA-N 0 0 505.368 5.187 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000008904094 553183286 /nfs/dbraw/zinc/18/32/86/553183286.db2.gz RRNQBDRFHUXFHU-QHCPKHFHSA-N 0 0 516.575 5.413 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000008914583 553185710 /nfs/dbraw/zinc/18/57/10/553185710.db2.gz NYKJFAJCZQVNFK-CCEZHUSRSA-N 0 0 513.554 5.678 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000008916662 553186803 /nfs/dbraw/zinc/18/68/03/553186803.db2.gz FIGNKWDRYFQGOP-JIYROHSKSA-N 0 0 529.080 7.830 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973673 553195477 /nfs/dbraw/zinc/19/54/77/553195477.db2.gz DLGIGVFBENQRFI-VWLOTQADSA-N 0 0 512.631 6.694 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008973655 553195557 /nfs/dbraw/zinc/19/55/57/553195557.db2.gz SZAHZAVDZNWCKT-DEOSSOPVSA-N 0 0 518.566 5.934 50 30 KKEARN Clc1ccc(CN=Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000008984049 553196226 /nfs/dbraw/zinc/19/62/26/553196226.db2.gz RIDJPHPTIJLVQU-RDRPBHBLSA-N 0 0 520.424 5.931 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc([C@H](C)CC)cc3)c(OCC)c2)SC1=S ZINC000008984991 553196420 /nfs/dbraw/zinc/19/64/20/553196420.db2.gz CWIVUJWMDOQMCV-KHKYUJEISA-N 0 0 511.709 6.834 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008996456 553197241 /nfs/dbraw/zinc/19/72/41/553197241.db2.gz JROUNLCJJPOKNT-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009008279 553198839 /nfs/dbraw/zinc/19/88/39/553198839.db2.gz YROKVZBIGWPCRJ-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008573 553198954 /nfs/dbraw/zinc/19/89/54/553198954.db2.gz XFOZMXCEGDDLCH-OAQYLSRUSA-N 0 0 506.580 5.118 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3F)sc2c1 ZINC000009009203 553199279 /nfs/dbraw/zinc/19/92/79/553199279.db2.gz CZHYSERDTBYCHM-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)ccc1O ZINC000009020047 553201174 /nfs/dbraw/zinc/20/11/74/553201174.db2.gz NGHCOGBSJPOTSZ-MUUNZHRXSA-N 0 0 531.605 5.293 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009019620 553201202 /nfs/dbraw/zinc/20/12/02/553201202.db2.gz GEGPSIUWYSXOFF-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009042980 553202661 /nfs/dbraw/zinc/20/26/61/553202661.db2.gz SVQZMNGXLYOHDQ-VKGTZQKMSA-N 0 0 501.970 6.559 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc(Cl)c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009043135 553202900 /nfs/dbraw/zinc/20/29/00/553202900.db2.gz SKZVPBWBBAYSBV-KEEVHDRGSA-N 0 0 517.025 6.668 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009045544 553203511 /nfs/dbraw/zinc/20/35/11/553203511.db2.gz NSVIKNAPQFNOEH-DEOSSOPVSA-N 0 0 502.567 6.234 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046277 553203757 /nfs/dbraw/zinc/20/37/57/553203757.db2.gz JPXBQHJUXZAVMP-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009046472 553203981 /nfs/dbraw/zinc/20/39/81/553203981.db2.gz XAHUHFDEURZQDV-QHCPKHFHSA-N 0 0 515.547 5.613 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000009057828 553204834 /nfs/dbraw/zinc/20/48/34/553204834.db2.gz TXDKRWZQCFVRSL-GKVSMKOHSA-N 0 0 514.906 6.942 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000009057829 553204863 /nfs/dbraw/zinc/20/48/63/553204863.db2.gz TXDKRWZQCFVRSL-SSOJOUAXSA-N 0 0 514.906 6.942 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009069016 553206827 /nfs/dbraw/zinc/20/68/27/553206827.db2.gz PSNHAGJHCQUAGN-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009072542 553207111 /nfs/dbraw/zinc/20/71/11/553207111.db2.gz OHRCOWDETXBVIP-XMMPIXPASA-N 0 0 502.567 6.350 50 30 KKEARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)c1 ZINC000009075842 553207457 /nfs/dbraw/zinc/20/74/57/553207457.db2.gz ZNJVSACKUSMQEH-NGNZEAJZSA-N 0 0 513.541 5.875 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)c1 ZINC000009075827 553207536 /nfs/dbraw/zinc/20/75/36/553207536.db2.gz IGXGDVULNMGDAL-FJOMVMCCSA-N 0 0 507.587 5.394 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000009076157 553207679 /nfs/dbraw/zinc/20/76/79/553207679.db2.gz WIXGCBZUNOXIMS-MUUNZHRXSA-N 0 0 517.025 6.814 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000009076156 553207680 /nfs/dbraw/zinc/20/76/80/553207680.db2.gz WIXGCBZUNOXIMS-NDEPHWFRSA-N 0 0 517.025 6.814 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009086118 553208289 /nfs/dbraw/zinc/20/82/89/553208289.db2.gz MIXHLUPJBLGYDZ-HHHXNRCGSA-N 0 0 516.594 5.452 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000009086293 553208345 /nfs/dbraw/zinc/20/83/45/553208345.db2.gz IDMQLKSQZOHMBW-JOCHJYFZSA-N 0 0 520.607 5.291 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009123179 553212240 /nfs/dbraw/zinc/21/22/40/553212240.db2.gz LVYZSLUXMZPBHW-QHCPKHFHSA-N 0 0 504.633 6.663 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009123328 553212376 /nfs/dbraw/zinc/21/23/76/553212376.db2.gz CROVBIHRKCGPPR-VWLOTQADSA-N 0 0 501.539 5.112 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1cccc(Br)c1)OCCCO4 ZINC000009129166 553213217 /nfs/dbraw/zinc/21/32/17/553213217.db2.gz SXGQDVKOTYPMAK-NRFANRHFSA-N 0 0 506.440 6.250 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000009130236 553213292 /nfs/dbraw/zinc/21/32/92/553213292.db2.gz DYIBOCZBSARDDP-IXCJQBJRSA-N 0 0 519.439 7.043 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1)c1ccc(C)cc1 ZINC000009158176 553214933 /nfs/dbraw/zinc/21/49/33/553214933.db2.gz VELWFECXWZWBFV-KWWOKKGBSA-N 0 0 507.594 5.541 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009177262 553216332 /nfs/dbraw/zinc/21/63/32/553216332.db2.gz NSVIKNAPQFNOEH-XMMPIXPASA-N 0 0 502.567 6.234 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000009185656 553217401 /nfs/dbraw/zinc/21/74/01/553217401.db2.gz ICYAGPJHQUJERY-UBFVSLLYSA-N 0 0 514.810 6.387 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009185703 553217455 /nfs/dbraw/zinc/21/74/55/553217455.db2.gz IRWSKKDAZGPEEN-QXNWPYRLSA-N 0 0 505.017 7.554 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000009185745 553217462 /nfs/dbraw/zinc/21/74/62/553217462.db2.gz XWKFMIBQEMJAAX-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000009186672 553217726 /nfs/dbraw/zinc/21/77/26/553217726.db2.gz JZGWQSIZYPBNHV-XCZPVHLTSA-N 0 0 519.439 7.045 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009187424 553218029 /nfs/dbraw/zinc/21/80/29/553218029.db2.gz NVNHBNVFVLLXMA-HHHXNRCGSA-N 0 0 514.578 5.200 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2Cc2nc3ccccc3[nH]2)cc1 ZINC000009191671 553218606 /nfs/dbraw/zinc/21/86/06/553218606.db2.gz GVTWCYXIFIPVMM-WJOKGBTCSA-N 0 0 504.678 7.677 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000009199439 553219920 /nfs/dbraw/zinc/21/99/20/553219920.db2.gz DLTKWHOBOCRWBB-XIFFEERXSA-N 0 0 522.689 7.989 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009209863 553220476 /nfs/dbraw/zinc/22/04/76/553220476.db2.gz QYXJAZRTZNDPFJ-QHCPKHFHSA-N 0 0 524.415 5.103 50 30 KKEARN COc1c(Cl)cc(Cl)cc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009232652 553223882 /nfs/dbraw/zinc/22/38/82/553223882.db2.gz DJLDTOKIFCJGDC-SANMLTNESA-N 0 0 521.444 7.459 50 30 KKEARN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCC ZINC000009233017 553223988 /nfs/dbraw/zinc/22/39/88/553223988.db2.gz GMMIWOWUTHANKZ-XSFVSMFZSA-N 0 0 504.471 6.381 50 30 KKEARN Cc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000009233420 553224408 /nfs/dbraw/zinc/22/44/08/553224408.db2.gz LEHGSSCGGPGZKS-LGJNPRDNSA-N 0 0 515.997 6.899 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OCC ZINC000009234350 553224947 /nfs/dbraw/zinc/22/49/47/553224947.db2.gz WXGFSJJBXTUXPM-MDHMIDBASA-N 0 0 504.612 5.301 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009240278 553226159 /nfs/dbraw/zinc/22/61/59/553226159.db2.gz QSTWOUCDCYNHPM-MHZLTWQESA-N 0 0 516.594 5.221 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009246708 553227337 /nfs/dbraw/zinc/22/73/37/553227337.db2.gz WGVUHSVAFYEZBA-QXNWPYRLSA-N 0 0 515.569 6.809 50 30 KKEARN Cc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009264222 553228712 /nfs/dbraw/zinc/22/87/12/553228712.db2.gz DTELUVMJNCSDBY-YKGWIAGDSA-N 0 0 509.005 7.456 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000009264308 553228861 /nfs/dbraw/zinc/22/88/61/553228861.db2.gz SFAWVCRWIQADHX-WENCNXQZSA-N 0 0 525.004 7.156 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NC1CCCCC1 ZINC000009264330 553229088 /nfs/dbraw/zinc/22/90/88/553229088.db2.gz MQMNGUZGUQURNX-WENCNXQZSA-N 0 0 511.622 6.705 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000009264310 553229122 /nfs/dbraw/zinc/22/91/22/553229122.db2.gz SFAWVCRWIQADHX-PRAQEBQASA-N 0 0 525.004 7.156 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NC1CCCCC1 ZINC000009264332 553229139 /nfs/dbraw/zinc/22/91/39/553229139.db2.gz MQMNGUZGUQURNX-PRAQEBQASA-N 0 0 511.622 6.705 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009271422 553230998 /nfs/dbraw/zinc/23/09/98/553230998.db2.gz YZCDFJZAQPWIHS-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000009271966 553231503 /nfs/dbraw/zinc/23/15/03/553231503.db2.gz XWPZPWMCWLMSHF-UKJJDJLKSA-N 0 0 506.646 7.093 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Br)c1 ZINC000009272118 553231555 /nfs/dbraw/zinc/23/15/55/553231555.db2.gz NFVDEKMKKGTKFI-JOCHJYFZSA-N 0 0 502.405 5.017 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009272316 553231769 /nfs/dbraw/zinc/23/17/69/553231769.db2.gz ZHNYLSZQPINXHU-YUDQIZAISA-N 0 0 522.601 5.792 50 30 KKEARN C=C(C)Cn1c(SCC(=O)N(CCCC)CCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000009272340 553231799 /nfs/dbraw/zinc/23/17/99/553231799.db2.gz HDUBYBXLYJCOJY-UHFFFAOYSA-N 0 0 521.771 6.765 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009273054 553232081 /nfs/dbraw/zinc/23/20/81/553232081.db2.gz AHEMWIXKWGLZNO-HFJWLAOPSA-N 0 0 510.487 6.297 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1)c1cccs1 ZINC000009281350 553233218 /nfs/dbraw/zinc/23/32/18/553233218.db2.gz BRVLVQLLYVYOMZ-FSLBVTOFSA-N 0 0 503.587 6.566 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2[C@H]2OC(=O)c3ccccc32)cc1 ZINC000009282654 553234068 /nfs/dbraw/zinc/23/40/68/553234068.db2.gz NAVOUIBTHXWYGQ-KYJUHHDHSA-N 0 0 506.646 7.470 50 30 KKEARN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 ZINC000009288580 553234205 /nfs/dbraw/zinc/23/42/05/553234205.db2.gz MADFWSGOEIYIOM-QFIPXVFZSA-N 0 0 501.435 5.901 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000009290663 553234509 /nfs/dbraw/zinc/23/45/09/553234509.db2.gz OUTUAEUVFBLWMM-WTYVLRPYSA-N 0 0 537.653 5.448 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292223 553234864 /nfs/dbraw/zinc/23/48/64/553234864.db2.gz IXMSPMNVOYHCLU-OWJWWREXSA-N 0 0 516.619 5.884 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Br)c1O ZINC000009296447 553235775 /nfs/dbraw/zinc/23/57/75/553235775.db2.gz UKWCUALWSSHMGD-AFUMVMLFSA-N 0 0 506.364 5.282 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009301947 553236108 /nfs/dbraw/zinc/23/61/08/553236108.db2.gz XLKNKDLGQAYPRZ-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc4ncccc4c3)c2-c2ccccc2)cc1 ZINC000009311175 553239285 /nfs/dbraw/zinc/23/92/85/553239285.db2.gz DKQWCJYHQSLTFJ-HWLOXFRGSA-N 0 0 521.620 8.287 50 30 KKEARN COCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)S/C1=N\c1ccccc1 ZINC000009311546 553239713 /nfs/dbraw/zinc/23/97/13/553239713.db2.gz QJBPQLNYYVSMGZ-BDBFOOTBSA-N 0 0 524.646 5.839 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009311988 553239872 /nfs/dbraw/zinc/23/98/72/553239872.db2.gz VYKSZWKWPOMFBK-SSOJOUAXSA-N 0 0 518.407 5.594 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312168 553240059 /nfs/dbraw/zinc/24/00/59/553240059.db2.gz DKGHHUOLVGCPKQ-LGGPFLRQSA-N 0 0 511.618 6.358 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009312554 553240403 /nfs/dbraw/zinc/24/04/03/553240403.db2.gz KZRRNYMPRMYZMZ-PBBNMVCDSA-N 0 0 511.618 6.010 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009313148 553240995 /nfs/dbraw/zinc/24/09/95/553240995.db2.gz KZRRNYMPRMYZMZ-ONOMSOESSA-N 0 0 511.618 6.010 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cccc([C@@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)c2)cc1 ZINC000009327338 553241710 /nfs/dbraw/zinc/24/17/10/553241710.db2.gz TWXYKRSLXYUJNS-SANMLTNESA-N 0 0 525.626 5.700 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)CC ZINC000009327508 553241738 /nfs/dbraw/zinc/24/17/38/553241738.db2.gz FERUFQUYQKNRQF-ICACTRECSA-N 0 0 510.634 6.795 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009328396 553242007 /nfs/dbraw/zinc/24/20/07/553242007.db2.gz ONHMBDJMPCJCBB-WNSKOXEYSA-N 0 0 512.393 5.182 50 30 KKEARN CC(C)(C)c1ccc(OCCOc2ccccc2C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1 ZINC000009334367 553243087 /nfs/dbraw/zinc/24/30/87/553243087.db2.gz SSQIAAIFVWBOTL-AWSUPERCSA-N 0 0 528.701 5.878 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009334334 553243126 /nfs/dbraw/zinc/24/31/26/553243126.db2.gz GXRGFWPMAYLTMM-VWLOTQADSA-N 0 0 514.603 6.185 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)sc2c1CCCC2 ZINC000009339758 553243694 /nfs/dbraw/zinc/24/36/94/553243694.db2.gz UOOWCIUMKBODHS-JFLMPSFJSA-N 0 0 512.425 6.536 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350877 553245278 /nfs/dbraw/zinc/24/52/78/553245278.db2.gz PHPWPJKDXWPOQQ-OWJWWREXSA-N 0 0 517.006 6.364 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009356876 553246795 /nfs/dbraw/zinc/24/67/95/553246795.db2.gz XIULONGUYYJSNQ-MQNRADLISA-N 0 0 514.578 6.104 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000009357063 553246821 /nfs/dbraw/zinc/24/68/21/553246821.db2.gz FEKWHYGUYGLAEW-GPNASLBKSA-N 0 0 518.588 7.049 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009357589 553246931 /nfs/dbraw/zinc/24/69/31/553246931.db2.gz NABRQUAGHFVATO-MYYSRTQBSA-N 0 0 500.551 5.850 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009357753 553246937 /nfs/dbraw/zinc/24/69/37/553246937.db2.gz FYXOWJQXQQLZIT-RUZDIDTESA-N 0 0 501.539 5.112 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009358977 553247620 /nfs/dbraw/zinc/24/76/20/553247620.db2.gz PCZGTWUTYXNQRJ-NFQMXDRXSA-N 0 0 515.610 5.054 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009360255 553248344 /nfs/dbraw/zinc/24/83/44/553248344.db2.gz JXKZOSBVCOHYIA-QHCPKHFHSA-N 0 0 507.384 5.410 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009360564 553248377 /nfs/dbraw/zinc/24/83/77/553248377.db2.gz KOVKXBLIVCGHNP-MHZLTWQESA-N 0 0 514.578 5.056 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360414 553248458 /nfs/dbraw/zinc/24/84/58/553248458.db2.gz ADQQJGZKEYCQAD-CPJLOUKISA-N 0 0 512.587 5.720 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360822 553248657 /nfs/dbraw/zinc/24/86/57/553248657.db2.gz MFJVWRHSOJOOPA-NPMABZOXSA-N 0 0 518.978 5.762 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370752 553250093 /nfs/dbraw/zinc/25/00/93/553250093.db2.gz BPVWMMFUXTZOQS-HXUWFJFHSA-N 0 0 513.185 5.995 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009373948 553250701 /nfs/dbraw/zinc/25/07/01/553250701.db2.gz AQOXLHRCYZOJFB-ACSYHNTCSA-N 0 0 527.617 5.976 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(Br)c2)cc1C ZINC000009373967 553250704 /nfs/dbraw/zinc/25/07/04/553250704.db2.gz ZWHQDMBADODNIQ-QHCPKHFHSA-N 0 0 516.432 5.551 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374779 553250937 /nfs/dbraw/zinc/25/09/37/553250937.db2.gz DHHOLAKJHAMZFD-CPJLOUKISA-N 0 0 514.578 6.159 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009379740 553251288 /nfs/dbraw/zinc/25/12/88/553251288.db2.gz XEBIEVWRYVPJLF-HSZRJFAPSA-N 0 0 508.416 5.438 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000009380032 553251603 /nfs/dbraw/zinc/25/16/03/553251603.db2.gz AIVMBCMRMFQMRC-SGRBUWMRSA-N 0 0 500.598 7.202 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000009380156 553251721 /nfs/dbraw/zinc/25/17/21/553251721.db2.gz UKSFPVCBBKEFQY-URAOTHONSA-N 0 0 526.633 6.269 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000009380155 553251733 /nfs/dbraw/zinc/25/17/33/553251733.db2.gz UKSFPVCBBKEFQY-JRPXNJEYSA-N 0 0 526.633 6.269 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000009380745 553251975 /nfs/dbraw/zinc/25/19/75/553251975.db2.gz QGOQZBBCFZMCNE-SSEXGKCCSA-N 0 0 527.621 7.578 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000009404141 553255424 /nfs/dbraw/zinc/25/54/24/553255424.db2.gz GUPCUMDVOVXOAD-UHFFFAOYSA-N 0 0 515.660 6.092 50 30 KKEARN COC(=O)c1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C/c2cccs2)cc1 ZINC000009404938 553256244 /nfs/dbraw/zinc/25/62/44/553256244.db2.gz MEXUWXJKDFAHPH-RGEXLXHISA-N 0 0 500.670 7.309 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009424247 553258495 /nfs/dbraw/zinc/25/84/95/553258495.db2.gz UMNGOQDPDCPEEE-PBBNMVCDSA-N 0 0 511.618 6.010 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000009424495 553258707 /nfs/dbraw/zinc/25/87/07/553258707.db2.gz AMUZVJHTLQAMBO-GDLZYMKVSA-N 0 0 519.553 6.029 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009425250 553259337 /nfs/dbraw/zinc/25/93/37/553259337.db2.gz IMVRCQFPFSAJEJ-HSZRJFAPSA-N 0 0 518.591 5.332 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009425533 553259457 /nfs/dbraw/zinc/25/94/57/553259457.db2.gz UHRRETDGBREDIJ-PGWWVJEZSA-N 0 0 505.615 5.818 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c1 ZINC000009427778 553260025 /nfs/dbraw/zinc/26/00/25/553260025.db2.gz UASUAGWQQFUDJH-ITYLOYPMSA-N 0 0 515.704 6.946 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCC)C2=O)c(C)c1 ZINC000009427989 553260220 /nfs/dbraw/zinc/26/02/20/553260220.db2.gz SUJDUSGCQCUQNL-BWAHOGKJSA-N 0 0 503.693 6.804 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000009435132 553264086 /nfs/dbraw/zinc/26/40/86/553264086.db2.gz FLTKCNHAFRCLCN-SKCUWOTOSA-N 0 0 521.679 5.752 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009436619 553264512 /nfs/dbraw/zinc/26/45/12/553264512.db2.gz MNOHKPKIHOKOJW-NGOKVRLYSA-N 0 0 512.606 5.608 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009454056 553266303 /nfs/dbraw/zinc/26/63/03/553266303.db2.gz JLVKKRSASBVANL-QHCPKHFHSA-N 0 0 502.523 5.298 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000009460799 553266977 /nfs/dbraw/zinc/26/69/77/553266977.db2.gz ZEMQXHJTSPXASY-CPJLOUKISA-N 0 0 512.587 5.801 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000009462422 553268298 /nfs/dbraw/zinc/26/82/98/553268298.db2.gz HJEHZEHFXRQBEF-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000009463030 553268758 /nfs/dbraw/zinc/26/87/58/553268758.db2.gz XEWAUSPGZQZHRP-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009463463 553268892 /nfs/dbraw/zinc/26/88/92/553268892.db2.gz RJKIADRWJUQFMZ-AREMUKBSSA-N 0 0 516.550 5.097 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463443 553268941 /nfs/dbraw/zinc/26/89/41/553268941.db2.gz PHJKDSHAOSSRPR-MUUNZHRXSA-N 0 0 525.580 5.578 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000009463893 553269117 /nfs/dbraw/zinc/26/91/17/553269117.db2.gz STKQSWOSWNDCTG-MUUNZHRXSA-N 0 0 531.605 5.293 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009464156 553269363 /nfs/dbraw/zinc/26/93/63/553269363.db2.gz HQFOMIMNIFPWSY-LJAQVGFWSA-N 0 0 507.586 6.508 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccncc1 ZINC000009471426 553269916 /nfs/dbraw/zinc/26/99/16/553269916.db2.gz SQSIWWYVUHKRLQ-HPMVVLTCSA-N 0 0 521.705 7.860 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000009478718 553272690 /nfs/dbraw/zinc/27/26/90/553272690.db2.gz ORAJHPSUUQQYAW-UHFFFAOYSA-N 0 0 509.376 5.123 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000009489950 553273214 /nfs/dbraw/zinc/27/32/14/553273214.db2.gz RIWATRRJNVBRFP-XSXHMXBXSA-N 0 0 519.980 6.507 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000009489952 553273226 /nfs/dbraw/zinc/27/32/26/553273226.db2.gz RIWATRRJNVBRFP-WYAVIUHXSA-N 0 0 519.980 6.507 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000009497314 553274798 /nfs/dbraw/zinc/27/47/98/553274798.db2.gz YLQCOUZDJNVLCV-JOCHJYFZSA-N 0 0 517.464 5.170 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000009507109 553276015 /nfs/dbraw/zinc/27/60/15/553276015.db2.gz VFUYGDBBNSBMRQ-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009507612 553276037 /nfs/dbraw/zinc/27/60/37/553276037.db2.gz YPAFITXVMCRNOV-NDEPHWFRSA-N 0 0 515.606 5.588 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000009553781 553278752 /nfs/dbraw/zinc/27/87/52/553278752.db2.gz PAVOYJYOSFLOFV-QCBOHVIISA-N 0 0 538.707 8.604 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(F)c2)cc1OC ZINC000009598262 553284104 /nfs/dbraw/zinc/28/41/04/553284104.db2.gz XZKJPCMGDFFRMT-CHJDUVSTSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccs2)cc1OC ZINC000009598275 553284312 /nfs/dbraw/zinc/28/43/12/553284312.db2.gz IELDSQJFOKRGPB-ACSYHNTCSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccsc2)cc1OC ZINC000009598281 553284315 /nfs/dbraw/zinc/28/43/15/553284315.db2.gz NAILFDFOMGCLEV-LYZGTLIUSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)s2)cc1OC ZINC000009598269 553284334 /nfs/dbraw/zinc/28/43/34/553284334.db2.gz FHNBGSASLXENGH-URAOTHONSA-N 0 0 528.674 6.382 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)o2)cc1 ZINC000009598337 553284518 /nfs/dbraw/zinc/28/45/18/553284518.db2.gz OXEVCTJTKMBJSG-WRGVRERRSA-N 0 0 528.605 5.614 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(F)cc2)cc1OC ZINC000009598329 553284540 /nfs/dbraw/zinc/28/45/40/553284540.db2.gz CJPRHNWQOPZIKK-SMSORMJASA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000009598334 553284548 /nfs/dbraw/zinc/28/45/48/553284548.db2.gz RAVWFMTUVFNHAO-XJFCNFDWSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601060 553286462 /nfs/dbraw/zinc/28/64/62/553286462.db2.gz QAOJFZPIPYFCHI-JOCHJYFZSA-N 0 0 506.967 5.750 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000009614549 553290062 /nfs/dbraw/zinc/29/00/62/553290062.db2.gz ZPADWLPRESLLSX-NRXURXQESA-N 0 0 508.412 5.881 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000009620627 553291843 /nfs/dbraw/zinc/29/18/43/553291843.db2.gz NRFBZUGEWRBMHJ-WRGVRERRSA-N 0 0 551.595 5.969 50 30 KKEARN COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000009635919 553292138 /nfs/dbraw/zinc/29/21/38/553292138.db2.gz UCZITECQZOFINN-NRUKRWIHSA-N 0 0 516.597 6.611 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000009680309 553296574 /nfs/dbraw/zinc/29/65/74/553296574.db2.gz ZCFRLLZAVWCIRM-UZTOHYMASA-N 0 0 522.041 6.292 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009720992 553300876 /nfs/dbraw/zinc/30/08/76/553300876.db2.gz XBGAEYDVQOIAHE-ZOYWYXQUSA-N 0 0 500.598 6.910 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c(OC)c1 ZINC000009730588 553302111 /nfs/dbraw/zinc/30/21/11/553302111.db2.gz LTBZTVLGUTYHEY-UDWIEESQSA-N 0 0 510.464 6.019 50 30 KKEARN COc1ccccc1OCCOc1c(Cl)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000009731130 553302432 /nfs/dbraw/zinc/30/24/32/553302432.db2.gz ISQALTJJUMQOPA-UXHLAJHPSA-N 0 0 522.001 5.363 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(C)cc3)C3=C2CC(C)(C)CC3=O)cc1Cl ZINC000009777475 553306790 /nfs/dbraw/zinc/30/67/90/553306790.db2.gz HZNNNWVBRAPFCG-UHFFFAOYSA-N 0 0 504.070 7.547 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000009777730 553306938 /nfs/dbraw/zinc/30/69/38/553306938.db2.gz RYMGNYYRSYEQJK-QABMSTFYSA-N 0 0 532.681 5.483 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000009779503 553307463 /nfs/dbraw/zinc/30/74/63/553307463.db2.gz UTKOMRICIMQFRZ-NRUKRWIHSA-N 0 0 514.581 6.626 50 30 KKEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009781015 553307766 /nfs/dbraw/zinc/30/77/66/553307766.db2.gz IVHIKGSSXKMRFA-QHCPKHFHSA-N 0 0 521.086 6.539 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000009782803 553308191 /nfs/dbraw/zinc/30/81/91/553308191.db2.gz ZENAOUNQRLDCLJ-WJOKGBTCSA-N 0 0 512.024 8.521 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000009781950 553308216 /nfs/dbraw/zinc/30/82/16/553308216.db2.gz RYMGNYYRSYEQJK-AYWVHJORSA-N 0 0 532.681 5.483 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2cccs2)cc1OC ZINC000009805167 553308348 /nfs/dbraw/zinc/30/83/48/553308348.db2.gz YYKIFUNNIZUUGN-UZTOHYMASA-N 0 0 527.708 5.813 50 30 KKEARN COc1ccc(Br)cc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009805300 553308621 /nfs/dbraw/zinc/30/86/21/553308621.db2.gz SPDWXCZEXRCRRP-LDLUVENISA-N 0 0 511.419 7.073 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009805299 553308633 /nfs/dbraw/zinc/30/86/33/553308633.db2.gz SPDWXCZEXRCRRP-YRVHBCJASA-N 0 0 511.419 7.073 50 30 KKEARN CC(C)(C)c1cc(/C=N/CC(O)C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000009850500 553312847 /nfs/dbraw/zinc/31/28/47/553312847.db2.gz QFEDOULLKSAMPD-JZFGTTBJSA-N 0 0 522.774 7.187 50 30 KKEARN CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000009860890 553313960 /nfs/dbraw/zinc/31/39/60/553313960.db2.gz VKHSATVQVBQMGO-JGCGQSQUSA-N 0 0 520.654 6.646 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942560 553319688 /nfs/dbraw/zinc/31/96/88/553319688.db2.gz DRQHCZXZWIHVKH-QHCPKHFHSA-N 0 0 501.652 5.888 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc(Br)c1OC ZINC000009968664 553321707 /nfs/dbraw/zinc/32/17/07/553321707.db2.gz MVMJZIUPTJWKTH-JYYJXNPCSA-N 0 0 515.404 5.087 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000009969623 553322238 /nfs/dbraw/zinc/32/22/38/553322238.db2.gz QJSNJPMCOWNIJN-VWLOTQADSA-N 0 0 509.587 6.200 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009983155 553323409 /nfs/dbraw/zinc/32/34/09/553323409.db2.gz ZVHIJYWMACXCML-SIBVEZHUSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982727 553323427 /nfs/dbraw/zinc/32/34/27/553323427.db2.gz FTPAWFQNQPMYFF-FQRUVTKNSA-N 0 0 500.689 6.779 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009983903 553323620 /nfs/dbraw/zinc/32/36/20/553323620.db2.gz DJEOUOJQARWCCR-DFBJGRDBSA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000009985185 553323643 /nfs/dbraw/zinc/32/36/43/553323643.db2.gz GSOPHVKPNXSDEW-LJQANCHMSA-N 0 0 504.475 5.543 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009983253 553323647 /nfs/dbraw/zinc/32/36/47/553323647.db2.gz ZVHIJYWMACXCML-BCHFMIIMSA-N 0 0 518.679 6.918 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993092 553323729 /nfs/dbraw/zinc/32/37/29/553323729.db2.gz XYQFTJCZSJAOCV-DHUJRADRSA-N 0 0 519.091 6.990 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000009993040 553323778 /nfs/dbraw/zinc/32/37/78/553323778.db2.gz HZUIKDOSMWYZPH-UHFFFAOYSA-N 0 0 505.064 6.648 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009993423 553323966 /nfs/dbraw/zinc/32/39/66/553323966.db2.gz MZOPZCHZUNTRSM-FTBPSBKWSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Cl)c1 ZINC000009993392 553323991 /nfs/dbraw/zinc/32/39/91/553323991.db2.gz SVGQCCBTCWANLM-BUUDZMLXSA-N 0 0 524.013 5.063 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000010013479 553326050 /nfs/dbraw/zinc/32/60/50/553326050.db2.gz MXOKFOWYXRMHOA-WRONEBCDSA-N 0 0 512.581 5.843 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000010013475 553326066 /nfs/dbraw/zinc/32/60/66/553326066.db2.gz CDBYNNPHLRBDIF-WRONEBCDSA-N 0 0 512.581 5.843 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000010013534 553326081 /nfs/dbraw/zinc/32/60/81/553326081.db2.gz XJYVXSLJLMUDSF-AFJIDDCJSA-N 0 0 512.581 5.843 50 30 KKEARN COc1ccc2[nH]cc(CCNC(=NC(=O)c3ccc(-c4ccccc4)cc3)Nc3nc(C)cc(C)n3)c2c1 ZINC000010059714 553327306 /nfs/dbraw/zinc/32/73/06/553327306.db2.gz XAQSEPXWNUVGDN-UHFFFAOYSA-N 0 0 518.621 5.691 50 30 KKEARN COc1ccc(N/N=C(/Sc2nnc(-c3cccc(Br)c3)o2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000011024932 553338672 /nfs/dbraw/zinc/33/86/72/553338672.db2.gz HPNCGYIEOUVBIW-HPNDGRJYSA-N 0 0 554.382 5.817 50 30 KKEARN C(=N/CCOCCOCC/N=C/c1c2ccccc2cc2ccccc21)\c1c2ccccc2cc2ccccc21 ZINC000011612334 553339198 /nfs/dbraw/zinc/33/91/98/553339198.db2.gz BBVAKLKKUIUVLI-USKKBRKXSA-N 0 0 524.664 7.871 50 30 KKEARN C=C(Cl)CSc1nnc(CNC(=O)c2cccc(-c3cccc(F)c3)c2)n1-c1ccc(OC)cc1 ZINC000011785849 553342744 /nfs/dbraw/zinc/34/27/44/553342744.db2.gz RGTHCAFXAZGMKV-UHFFFAOYSA-N 0 0 509.006 5.857 50 30 KKEARN C=CCN1c2ccccc2[C@]2(Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)C1=O ZINC000012192802 553353711 /nfs/dbraw/zinc/35/37/11/553353711.db2.gz XGSVKBZRNHODRV-SQHAQQRYSA-N 0 0 516.395 5.387 50 30 KKEARN C=CCN1c2ccccc2[C@]2(Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)C1=O ZINC000012192800 553353722 /nfs/dbraw/zinc/35/37/22/553353722.db2.gz XGSVKBZRNHODRV-IGKIAQTJSA-N 0 0 516.395 5.387 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccccc3F)S2)cc1 ZINC000012285338 553356560 /nfs/dbraw/zinc/35/65/60/553356560.db2.gz PXNGSJPRHWLQGJ-IOYDYCAWSA-N 0 0 521.570 5.114 50 30 KKEARN O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2ncn1/N=C/c1ccc2c(c1)OCO2 ZINC000012340660 553358642 /nfs/dbraw/zinc/35/86/42/553358642.db2.gz GKZUKTHIOGZBER-AMVVHIIESA-N 0 0 503.543 5.346 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)C(c2ccc(Cl)cc2Cl)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000012340685 553358682 /nfs/dbraw/zinc/35/86/82/553358682.db2.gz YAKVYAAFRMJZGZ-RCZVLFRGSA-N 0 0 509.349 5.735 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000012349411 553358854 /nfs/dbraw/zinc/35/88/54/553358854.db2.gz UTFSEPCCTWLGDY-KCWXNJEJSA-N 0 0 526.036 6.810 50 30 KKEARN C=CCSc1nnc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1-c1cccc(C(F)(F)F)c1 ZINC000012351401 553359192 /nfs/dbraw/zinc/35/91/92/553359192.db2.gz LBBUGFICSSGTLZ-UHFFFAOYSA-N 0 0 543.036 5.786 50 30 KKEARN C/C(=N\OCc1ccc(Cl)cc1)c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012350969 553359199 /nfs/dbraw/zinc/35/91/99/553359199.db2.gz NJSGLOVCTJVKMM-VTNSRFBWSA-N 0 0 523.386 6.675 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccccc3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000012375315 553361019 /nfs/dbraw/zinc/36/10/19/553361019.db2.gz QIEDYGFUKZIKKL-FDVSRXAVSA-N 0 0 509.612 7.383 50 30 KKEARN O=C1/C(=N\c2ccc(OC(F)(F)Cl)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000012376250 553361248 /nfs/dbraw/zinc/36/12/48/553361248.db2.gz DRFWLIQGWQUMJA-FSRJSHLRSA-N 0 0 509.984 6.234 50 30 KKEARN O=C1/C(=N\c2ccc(OC(F)(F)Cl)cc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000012377190 553361641 /nfs/dbraw/zinc/36/16/41/553361641.db2.gz BQCIPPMEDXPCIZ-QLTSDVKISA-N 0 0 514.935 5.241 50 30 KKEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000012382032 553362155 /nfs/dbraw/zinc/36/21/55/553362155.db2.gz XIDBDSVIDGBNLS-NRFANRHFSA-N 0 0 524.518 5.439 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)Nc1nccs1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000012402343 553362815 /nfs/dbraw/zinc/36/28/15/553362815.db2.gz GMGVGFUCQYRUCF-NRFANRHFSA-N 0 0 515.595 5.107 50 30 KKEARN Cc1ccc2nc(-c3ccc(/N=C4\c5cccc6c5N(C4=O)C(C)(C)C[C@@]6(C)c4ccccc4)cc3)sc2c1 ZINC000012406250 553362900 /nfs/dbraw/zinc/36/29/00/553362900.db2.gz LCPKNGVYGGGNIJ-SEWXNFBCSA-N 0 0 527.693 8.227 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000012411627 553363549 /nfs/dbraw/zinc/36/35/49/553363549.db2.gz PGDRTHVVQXCMLD-LJAQVGFWSA-N 0 0 503.042 7.540 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000012413068 553364253 /nfs/dbraw/zinc/36/42/53/553364253.db2.gz WWWRZGSZZCSVQG-OSOCVKALSA-N 0 0 519.594 5.606 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000012416282 553364850 /nfs/dbraw/zinc/36/48/50/553364850.db2.gz VEMVMQGEMHQTFH-XRHLQHRESA-N 0 0 500.620 5.766 50 30 KKEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2)sc2c1CCCC2 ZINC000012416431 553365027 /nfs/dbraw/zinc/36/50/27/553365027.db2.gz BTNYRNIEBUQBIE-QFIPXVFZSA-N 0 0 511.043 5.674 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C1 ZINC000012418561 553365499 /nfs/dbraw/zinc/36/54/99/553365499.db2.gz CURNUYGQYUHNHU-XHQRYOPUSA-N 0 0 524.654 6.621 50 30 KKEARN COc1ccc(N2CCN(CN3c4ccccc4/C(=N/c4ccc(C)c(Br)c4)C3=O)CC2)cc1 ZINC000012462179 553367082 /nfs/dbraw/zinc/36/70/82/553367082.db2.gz KJAXTXYLEZTFJK-WCTVFOPTSA-N 0 0 519.443 5.013 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1OC ZINC000012468278 553367965 /nfs/dbraw/zinc/36/79/65/553367965.db2.gz FERWVVCVMVTXAJ-IOYDYCAWSA-N 0 0 507.587 5.046 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000012469489 553367989 /nfs/dbraw/zinc/36/79/89/553367989.db2.gz JFBPWXMZBRWWLZ-IOYDYCAWSA-N 0 0 524.042 5.560 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000012468533 553368006 /nfs/dbraw/zinc/36/80/06/553368006.db2.gz XVSIGDDYXKRLSQ-FJOMVMCCSA-N 0 0 521.570 5.114 50 30 KKEARN Cc1cc([C@H]2c3c(C)nn(-c4cccc(Cl)c4)c3NC3=C2C(=O)CCC3)c(C)n1-c1ccc(C)c(C)c1 ZINC000012556067 553393590 /nfs/dbraw/zinc/39/35/90/553393590.db2.gz XPFXZSIIPNVASO-LJAQVGFWSA-N 0 0 511.069 7.423 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3c4c(C)nn(-c5ccccc5)c4NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000012563102 553395317 /nfs/dbraw/zinc/39/53/17/553395317.db2.gz INMIYAWHDMVODG-PMERELPUSA-N 0 0 500.646 7.509 50 30 KKEARN CC1(C)Cc2nc(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#N)cc2C(=O)C1 ZINC000012583783 553399517 /nfs/dbraw/zinc/39/95/17/553399517.db2.gz HXBLYGVEMMLBMF-UHFFFAOYSA-N 0 0 501.452 5.877 50 30 KKEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1C#N ZINC000012588088 553399902 /nfs/dbraw/zinc/39/99/02/553399902.db2.gz ZPBCXJOKQSLFGZ-UHFFFAOYSA-N 0 0 512.595 5.249 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000012628505 553405278 /nfs/dbraw/zinc/40/52/78/553405278.db2.gz USEJAPALKFDGRX-DXWCKFLSSA-N 0 0 519.623 5.263 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Br)cc1 ZINC000012632172 553405640 /nfs/dbraw/zinc/40/56/40/553405640.db2.gz WMCATRSJMCFXIO-LTUQMTLXSA-N 0 0 511.239 5.192 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(-c3ccc(CO)o3)c(C)c2)c1O ZINC000012651554 553409719 /nfs/dbraw/zinc/40/97/19/553409719.db2.gz GDWCSXFYHIHDNH-YSURURNPSA-N 0 0 509.194 6.127 50 30 KKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652319 553409740 /nfs/dbraw/zinc/40/97/40/553409740.db2.gz VYTDSNHQXABWSQ-HMILPKGGSA-N 0 0 513.981 6.810 50 30 KKEARN Cc1cc(C)c(-c2cc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)n(-c3ccccc3)n2)cc1C ZINC000012849523 553421877 /nfs/dbraw/zinc/42/18/77/553421877.db2.gz WCAVZNOITVMWDF-UHFFFAOYSA-N 0 0 521.577 5.112 50 30 KKEARN COC(=O)[C@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000012950245 553428338 /nfs/dbraw/zinc/42/83/38/553428338.db2.gz VDHFJOHWHWOIQY-DMRDCQBZSA-N 0 0 546.889 6.065 50 30 KKEARN Cc1c(C)n(Cc2ccccc2)c(N(S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1C#N ZINC000012953660 553429175 /nfs/dbraw/zinc/42/91/75/553429175.db2.gz WLZJDDYKPXXPQP-UHFFFAOYSA-N 0 0 574.511 5.916 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2ccc(F)cc2)=C3Sc2ccc(C)cc2)cc1 ZINC000012955094 553429327 /nfs/dbraw/zinc/42/93/27/553429327.db2.gz UXLNSFGYZUMENC-GUBAARJWSA-N 0 0 544.695 9.453 50 30 KKEARN O=S(=O)(c1ccc(Cl)cc1)C(C=NOCc1c(Cl)cccc1Cl)CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000012956099 553429506 /nfs/dbraw/zinc/42/95/06/553429506.db2.gz MHKVGFSZEJSRNP-MGGIATDFSA-N 0 0 614.260 7.148 50 30 KKEARN COC(=O)c1ccccc1Sc1c(/C=N/OCc2ccc(Cl)cc2Cl)c(-c2ccccc2)nn1C ZINC000012955728 553429572 /nfs/dbraw/zinc/42/95/72/553429572.db2.gz KPXMMHGWRTXOPO-WKULSOCRSA-N 0 0 526.445 6.882 50 30 KKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012957608 553429904 /nfs/dbraw/zinc/42/99/04/553429904.db2.gz RDKHIBPQGAAXJM-NHCBLPFDSA-N 0 0 523.641 7.774 50 30 KKEARN O=C1[C@@H](/C=N/OCc2ccc(Cl)cc2)CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1/C=N\OCc1ccc(Cl)cc1 ZINC000012957740 553430202 /nfs/dbraw/zinc/43/02/02/553430202.db2.gz XQFUTZSIYAKFMJ-NGSHXVNPSA-N 0 0 555.418 5.928 50 30 KKEARN O=C1C(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000012960813 553430649 /nfs/dbraw/zinc/43/06/49/553430649.db2.gz KQRODMFQDQPFHY-BIZUNTBRSA-N 0 0 532.271 7.394 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]23)cc1 ZINC000013139954 553454159 /nfs/dbraw/zinc/45/41/59/553454159.db2.gz QEYZTSBBFRRISY-YITXEANASA-N 0 0 512.609 6.211 50 30 KKEARN CN(C)c1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)cc1 ZINC000013165452 553457416 /nfs/dbraw/zinc/45/74/16/553457416.db2.gz YVUXHOSCJCRZFQ-UZWMFBFFSA-N 0 0 506.447 8.148 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ncccc4c3)N(c3ccc(C)cc3)C1=O)S2 ZINC000013285780 553457602 /nfs/dbraw/zinc/45/76/02/553457602.db2.gz XKPBSIKFQLNOED-HGHKWBERSA-N 0 0 510.644 6.731 50 30 KKEARN O=C(/C=C/c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)cc1)c1ccc(Br)cc1 ZINC000013512056 553467761 /nfs/dbraw/zinc/46/77/61/553467761.db2.gz IRJQRRSJIHPRGN-XAEUTPSSSA-N 0 0 507.431 7.701 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)c1 ZINC000013549533 553470158 /nfs/dbraw/zinc/47/01/58/553470158.db2.gz VWMAPWYAQCYEQC-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000013552407 553470742 /nfs/dbraw/zinc/47/07/42/553470742.db2.gz AZQDKKZSUIXEPL-HSZRJFAPSA-N 0 0 504.995 6.304 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000013571444 553473924 /nfs/dbraw/zinc/47/39/24/553473924.db2.gz GCNKRBBKCOVZIH-HHHXNRCGSA-N 0 0 526.658 7.164 50 30 KKEARN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4ccc(C(C)C)cc4)cc3)sc2n1 ZINC000013573965 553474497 /nfs/dbraw/zinc/47/44/97/553474497.db2.gz JAZNVLLXDZUCIJ-AWNIVKPZSA-N 0 0 523.580 7.478 50 30 KKEARN O=C(C=Cc1ccco1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013575170 553474856 /nfs/dbraw/zinc/47/48/56/553474856.db2.gz JYEPOQVKDBWWDE-WUKNDPDISA-N 0 0 507.542 5.988 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 ZINC000013646683 553480025 /nfs/dbraw/zinc/48/00/25/553480025.db2.gz TYNGXDIMNHUJIF-NAZSJVEXSA-N 0 0 517.676 5.793 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000013689232 553485667 /nfs/dbraw/zinc/48/56/67/553485667.db2.gz FWYODRFMKRPOJU-QPRQTZNDSA-N 0 0 513.541 5.875 50 30 KKEARN C=CCOC(=O)C1C(C)=Nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2[C@@H]1c1ccccc1Cl ZINC000013779212 553490436 /nfs/dbraw/zinc/49/04/36/553490436.db2.gz KICNEZCEBOXKBY-QFIPXVFZSA-N 0 0 508.983 6.410 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000013810165 553492103 /nfs/dbraw/zinc/49/21/03/553492103.db2.gz RIPKYBGVNBACLG-IUWMJDHMSA-N 0 0 507.615 6.177 50 30 KKEARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1C[C@@H]1CCCO1 ZINC000013881392 553493925 /nfs/dbraw/zinc/49/39/25/553493925.db2.gz JCWAXPRFROFAAD-ZGAFXSNGSA-N 0 0 507.080 7.274 50 30 KKEARN O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N\c2ccccc2)N1C[C@H]1CCCO1 ZINC000013881394 553494006 /nfs/dbraw/zinc/49/40/06/553494006.db2.gz JCWAXPRFROFAAD-HROJASJXSA-N 0 0 507.080 7.274 50 30 KKEARN COc1cc(Br)c(Br)c(C=NNc2c(Cl)cc(Cl)cc2Cl)c1O ZINC000013940813 553496542 /nfs/dbraw/zinc/49/65/42/553496542.db2.gz NNRBPMDUHHEAIK-DENHBWNVSA-N 0 0 503.405 6.332 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(OC)cc3)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000014008736 553499256 /nfs/dbraw/zinc/49/92/56/553499256.db2.gz STEJLLGTBVGPIV-OEAKJJBVSA-N 0 0 512.990 6.357 50 30 KKEARN C=C(C)CC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)CCOC)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014530905 553517446 /nfs/dbraw/zinc/51/74/46/553517446.db2.gz JUQKGQALLPFDGF-HXUWFJFHSA-N 0 0 531.657 5.679 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Br ZINC000015011855 553525436 /nfs/dbraw/zinc/52/54/36/553525436.db2.gz NELBQINMQXQFQG-LFIBNONCSA-N 0 0 517.308 6.310 50 30 KKEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000015079996 553527644 /nfs/dbraw/zinc/52/76/44/553527644.db2.gz DFVFJGJCWKJBRM-LHXZUMEBSA-N 0 0 534.704 6.760 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(/C=N\Cc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133577 553528004 /nfs/dbraw/zinc/52/80/04/553528004.db2.gz LNZXHJMDUKPAMO-RLVRWJDDSA-N 0 0 518.616 6.662 50 30 KKEARN C=C(C)C(=O)Nc1cccc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cccc(NC(=O)C(=C)C)c3)cc2)c1 ZINC000015134716 553528252 /nfs/dbraw/zinc/52/82/52/553528252.db2.gz FZOIKURNVXKGTK-YTEMWHBBSA-N 0 0 504.586 6.508 50 30 KKEARN Cc1c(NC(=CC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000015303852 553530937 /nfs/dbraw/zinc/53/09/37/553530937.db2.gz SRLZVGKABAJSCJ-KQWNVCNZSA-N 0 0 521.404 5.609 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@@H](CC(=O)Nc4ccc(Cl)cc4)C(=O)N3CC)ccc21 ZINC000015466790 553533497 /nfs/dbraw/zinc/53/34/97/553533497.db2.gz LCIZSECGWGVOEK-ZSUDGOGXSA-N 0 0 505.043 6.448 50 30 KKEARN CCn1c2ccccc2c2cc(/N=C3/S[C@H](CC(=O)Nc4ccc(Cl)cc4)C(=O)N3CC)ccc21 ZINC000015466788 553533521 /nfs/dbraw/zinc/53/35/21/553533521.db2.gz LCIZSECGWGVOEK-IHMZUKPYSA-N 0 0 505.043 6.448 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000015836449 553537208 /nfs/dbraw/zinc/53/72/08/553537208.db2.gz MRLFNLVBNRRNCP-NRFANRHFSA-N 0 0 501.371 5.970 50 30 KKEARN CCc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)ccc1OC)C[C@H](C(C)(C)C)CC2 ZINC000015946486 553544420 /nfs/dbraw/zinc/54/44/20/553544420.db2.gz DLCBGBZCGCTVDD-XRDWFJMKSA-N 0 0 504.696 7.482 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccccc2OC)C1 ZINC000015946524 553544638 /nfs/dbraw/zinc/54/46/38/553544638.db2.gz YIRATOXKWBDPBR-VULFUBBASA-N 0 0 508.556 5.182 50 30 KKEARN COc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000016043702 553553322 /nfs/dbraw/zinc/55/33/22/553553322.db2.gz YKNLJIXDDQSKQX-MHWRWJLKSA-N 0 0 511.662 7.582 50 30 KKEARN C[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2ccccc2SCC#N)/C(=C\c2ccco2)C1 ZINC000016044114 553553593 /nfs/dbraw/zinc/55/35/93/553553593.db2.gz YMMOPFGBRSWVMR-BWHWTHMTSA-N 0 0 523.614 6.362 50 30 KKEARN Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000016319510 553559954 /nfs/dbraw/zinc/55/99/54/553559954.db2.gz ZLGGEYABNKYIJL-UHFFFAOYSA-N 0 0 504.106 5.445 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000016728936 553575379 /nfs/dbraw/zinc/57/53/79/553575379.db2.gz NZCZQDKYMOINRX-UHFFFAOYSA-N 0 0 519.976 7.202 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016729529 553575563 /nfs/dbraw/zinc/57/55/63/553575563.db2.gz XAUZKLVQMAKBSD-QFIPXVFZSA-N 0 0 520.607 5.508 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016729966 553576091 /nfs/dbraw/zinc/57/60/91/553576091.db2.gz YRHDKANVVZVZMN-UFHPHHKVSA-N 0 0 537.653 5.810 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016729941 553576106 /nfs/dbraw/zinc/57/61/06/553576106.db2.gz CSGVPFXMNVKXPH-XRKRLSELSA-N 0 0 527.617 6.415 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016729960 553576138 /nfs/dbraw/zinc/57/61/38/553576138.db2.gz XAUZFFSNTAZRKB-GDLZYMKVSA-N 0 0 528.649 6.608 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000016730516 553576510 /nfs/dbraw/zinc/57/65/10/553576510.db2.gz HAABLHNHMXQWQZ-JOCHJYFZSA-N 0 0 520.582 5.587 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732222 553577467 /nfs/dbraw/zinc/57/74/67/553577467.db2.gz SEJLAUIWMIULMA-HSZRJFAPSA-N 0 0 520.607 5.625 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734407 553578537 /nfs/dbraw/zinc/57/85/37/553578537.db2.gz PQVLWHFMCABBEN-MUUNZHRXSA-N 0 0 507.542 6.415 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4ccc(OCC)cc4)sc3n2)cc1 ZINC000016805216 553582705 /nfs/dbraw/zinc/58/27/05/553582705.db2.gz SLAWCZPSWBQGPV-UHFFFAOYSA-N 0 0 513.541 6.780 50 30 KKEARN COc1cc(C(=O)c2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)/C3=N/c2ccc(O)cc2)cc(OC)c1OC ZINC000016957160 553585191 /nfs/dbraw/zinc/58/51/91/553585191.db2.gz MVFUKZWOZVITNW-QCKNELIISA-N 0 0 512.562 5.312 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000016974038 553585804 /nfs/dbraw/zinc/58/58/04/553585804.db2.gz OGFOSWQPSAXSLQ-MGBGTMOVSA-N 0 0 522.689 7.989 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc2c(c1)OCO2 ZINC000017027940 553586922 /nfs/dbraw/zinc/58/69/22/553586922.db2.gz WNBYSZMOYHJILF-LJAQVGFWSA-N 0 0 515.009 6.454 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000017027938 553586978 /nfs/dbraw/zinc/58/69/78/553586978.db2.gz WNBYSZMOYHJILF-GDLZYMKVSA-N 0 0 515.009 6.454 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000017042840 553587131 /nfs/dbraw/zinc/58/71/31/553587131.db2.gz QDEIVCZTHRBAPE-SFRLIIPVSA-N 0 0 514.625 7.186 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3N2)cc1 ZINC000017130916 553588441 /nfs/dbraw/zinc/58/84/41/553588441.db2.gz UTWQIDTZDATZCR-LPLGYCIKSA-N 0 0 515.561 5.862 50 30 KKEARN O=C1Nc2ccccc2/C1=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 ZINC000017191697 553590069 /nfs/dbraw/zinc/59/00/69/553590069.db2.gz IXJRNOSRLMKANZ-UHFFFAOYSA-N 0 0 504.387 7.404 50 30 KKEARN Cc1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576136 553591196 /nfs/dbraw/zinc/59/11/96/553591196.db2.gz ZWQBGQUZKUXYAV-MWLCHTKSSA-N 0 0 585.210 6.806 50 30 KKEARN Brc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000017299656 553592626 /nfs/dbraw/zinc/59/26/26/553592626.db2.gz VXBZMICCRSTHGZ-QXUINVRJSA-N 0 0 507.475 8.077 50 30 KKEARN COc1ccc(NC(=O)ON=c2oc3cc4c(cc3c3c2CCC3)CCC2(CCCCC2)O4)cc1OC ZINC000070655954 553594447 /nfs/dbraw/zinc/59/44/47/553594447.db2.gz ITJOLRDIMNEZBR-TVKQRKNISA-N 0 0 504.583 6.031 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020146226 553594700 /nfs/dbraw/zinc/59/47/00/553594700.db2.gz NLJWUDLATOVVSB-BYXUUWECSA-N 0 0 514.449 6.705 50 30 KKEARN CCCCOc1ccc(/C=C2\CS/C(=C\c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000020151943 553596190 /nfs/dbraw/zinc/59/61/90/553596190.db2.gz UOVOVOFFDHYVBV-KURGFOHESA-N 0 0 510.696 7.582 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c32)cc1OC ZINC000020160061 553600196 /nfs/dbraw/zinc/60/01/96/553600196.db2.gz CCQQQVYWTOHCIE-KVBGEWAISA-N 0 0 523.549 5.074 50 30 KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000070670082 553600249 /nfs/dbraw/zinc/60/02/49/553600249.db2.gz OMHBBCVPUBKOQK-MRZNTWBXSA-N 0 0 603.760 5.024 50 30 KKEARN C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000020161332 553600617 /nfs/dbraw/zinc/60/06/17/553600617.db2.gz YAPVAZGQLGIJFT-UHFFFAOYSA-N 0 0 517.683 7.762 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000018054913 553602467 /nfs/dbraw/zinc/60/24/67/553602467.db2.gz ZQACNVBXLYLHJI-YKGWIAGDSA-N 0 0 526.589 5.411 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000018066748 553603167 /nfs/dbraw/zinc/60/31/67/553603167.db2.gz NADGNSLHBJOUAD-YKGWIAGDSA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2C)cc1OC ZINC000018096233 553604113 /nfs/dbraw/zinc/60/41/13/553604113.db2.gz FZNJMVBEJCGEFK-FWUCURJTSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181743 553604548 /nfs/dbraw/zinc/60/45/48/553604548.db2.gz KSUPKFPOBBOXNL-QHCPKHFHSA-N 0 0 517.651 5.588 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[nH]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181753 553604578 /nfs/dbraw/zinc/60/45/78/553604578.db2.gz LCINCCMUUXBHFL-HXUWFJFHSA-N 0 0 523.014 6.237 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl ZINC000018115298 553604665 /nfs/dbraw/zinc/60/46/65/553604665.db2.gz POLJJJIQMJYCTQ-ROTAYESASA-N 0 0 517.044 7.960 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2C)cc1OC ZINC000018113828 553604700 /nfs/dbraw/zinc/60/47/00/553604700.db2.gz FZNJMVBEJCGEFK-SLGOVJDISA-N 0 0 522.645 6.321 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccc(F)c(Cl)c1)cn2C ZINC000020183368 553604858 /nfs/dbraw/zinc/60/48/58/553604858.db2.gz RXZQGZLOSDNKMA-VULFUBBASA-N 0 0 524.087 5.102 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000018117565 553605074 /nfs/dbraw/zinc/60/50/74/553605074.db2.gz RZYDRKKFHNMHTA-AXFZIHSKSA-N 0 0 512.609 6.265 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000018142318 553605946 /nfs/dbraw/zinc/60/59/46/553605946.db2.gz BYSBFFZPDKSFMB-SXOMAYOGSA-N 0 0 519.428 7.479 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000018172522 553606828 /nfs/dbraw/zinc/60/68/28/553606828.db2.gz KVHQWLXYAHWXRY-GPNASLBKSA-N 0 0 513.081 8.129 50 30 KKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2cnc3ccccc3n2)nc1 ZINC000018168430 553606873 /nfs/dbraw/zinc/60/68/73/553606873.db2.gz ONYGMHGHIJVWRP-JRPXNJEYSA-N 0 0 501.590 5.334 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 ZINC000018173238 553607176 /nfs/dbraw/zinc/60/71/76/553607176.db2.gz ZLQOAKVSLXJUPF-WCMJOSRZSA-N 0 0 509.458 7.874 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018172524 553607236 /nfs/dbraw/zinc/60/72/36/553607236.db2.gz KVHQWLXYAHWXRY-BNHRFMORSA-N 0 0 513.081 8.129 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1OCc1ccccc1 ZINC000018181904 553607996 /nfs/dbraw/zinc/60/79/96/553607996.db2.gz HOPXCGPTQIPUHA-MHZLTWQESA-N 0 0 520.551 6.971 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197730 553608927 /nfs/dbraw/zinc/60/89/27/553608927.db2.gz ZFKBAEZBTLQGQQ-QMTYFTJSSA-N 0 0 506.458 7.507 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000018198003 553609012 /nfs/dbraw/zinc/60/90/12/553609012.db2.gz BMLMCVQEOBMESK-KPURRNSFSA-N 0 0 508.578 5.290 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197734 553609023 /nfs/dbraw/zinc/60/90/23/553609023.db2.gz ZFKBAEZBTLQGQQ-DXPJPUQTSA-N 0 0 506.458 7.507 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(-c4ccccc4)cc3)C2)cc(OC)c1OC ZINC000018198259 553609425 /nfs/dbraw/zinc/60/94/25/553609425.db2.gz KSUDIMTWUBJKFJ-KMRXNPHXSA-N 0 0 508.578 5.387 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(OCc4ccccc4)c3)C2)cc1OC ZINC000018198493 553609454 /nfs/dbraw/zinc/60/94/54/553609454.db2.gz XPZWMYITNWDAMM-KPURRNSFSA-N 0 0 508.578 5.290 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000018205511 553610220 /nfs/dbraw/zinc/61/02/20/553610220.db2.gz QFTXLRGTPGDWAW-BGOLNKOXSA-N 0 0 512.606 6.023 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000018247138 553611342 /nfs/dbraw/zinc/61/13/42/553611342.db2.gz HDIGNRULVHZOKO-UGSMRDLSSA-N 0 0 523.636 5.094 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018285105 553612160 /nfs/dbraw/zinc/61/21/60/553612160.db2.gz BVOQPWIQWCWRNB-UXCMTWRGSA-N 0 0 534.744 8.773 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000019228297 553612850 /nfs/dbraw/zinc/61/28/50/553612850.db2.gz KDRVENURFIEJQE-DEOSSOPVSA-N 0 0 524.411 5.525 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000019535819 553614559 /nfs/dbraw/zinc/61/45/59/553614559.db2.gz PXFDYWKGMCPWIS-JOCHJYFZSA-N 0 0 518.448 5.643 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019770392 553616084 /nfs/dbraw/zinc/61/60/84/553616084.db2.gz QYPCEJDCLIVNLB-VVFBEHOQSA-N 0 0 523.629 6.199 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000019804577 553617741 /nfs/dbraw/zinc/61/77/41/553617741.db2.gz GJHXNCDBOVBURW-XMMPIXPASA-N 0 0 506.385 6.314 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000019804589 553617778 /nfs/dbraw/zinc/61/77/78/553617778.db2.gz ITIBYLFQDOXKNL-XMMPIXPASA-N 0 0 516.391 5.770 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000019827702 553622518 /nfs/dbraw/zinc/62/25/18/553622518.db2.gz XUXRVCBHOLQBIO-XMMPIXPASA-N 0 0 512.400 5.178 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000019830831 553622681 /nfs/dbraw/zinc/62/26/81/553622681.db2.gz ZTNAOWOQCJVUTQ-QLXKLKPCSA-N 0 0 509.986 5.391 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000019830817 553622692 /nfs/dbraw/zinc/62/26/92/553622692.db2.gz QYFOWFHGFDHNCE-DFXYEROKSA-N 0 0 531.649 5.950 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019848594 553623574 /nfs/dbraw/zinc/62/35/74/553623574.db2.gz PBSOCDKCAMQZIZ-HKBQPEDESA-N 0 0 523.629 6.028 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848669 553623618 /nfs/dbraw/zinc/62/36/18/553623618.db2.gz WSFWWJHVIIRXJR-PMERELPUSA-N 0 0 523.629 6.705 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019848618 553623652 /nfs/dbraw/zinc/62/36/52/553623652.db2.gz FNOWZTMNFWPNII-NSYGIPOTSA-N 0 0 512.002 5.291 50 30 biogenic,in-vitro KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000019848831 553623892 /nfs/dbraw/zinc/62/38/92/553623892.db2.gz FPSQQUCTWFLFIC-CLOONOSVSA-N 0 0 511.665 5.331 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857932 553628914 /nfs/dbraw/zinc/62/89/14/553628914.db2.gz MQGFMTULSJHMJI-CDNPAEQRSA-N 0 0 511.615 5.381 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000019892314 553630622 /nfs/dbraw/zinc/63/06/22/553630622.db2.gz ORBZVUZXLMPVFM-GIWHPOJPSA-N 0 0 535.637 5.424 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C)c1 ZINC000019892387 553630868 /nfs/dbraw/zinc/63/08/68/553630868.db2.gz WCBGFYQZZHAHFI-DFHRPNOPSA-N 0 0 521.679 5.670 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000019892641 553631290 /nfs/dbraw/zinc/63/12/90/553631290.db2.gz XKHBEVUNBSZZQV-HRFSGMKKSA-N 0 0 525.642 5.501 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000019892711 553631343 /nfs/dbraw/zinc/63/13/43/553631343.db2.gz OXIXMDMLCJOISA-DWACAAAGSA-N 0 0 521.679 5.670 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000019892673 553631357 /nfs/dbraw/zinc/63/13/57/553631357.db2.gz UULDTQBVHJMRIB-NGOKVRLYSA-N 0 0 535.637 5.426 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)nc(-c3ccc4c(c3)N(CCC#N)C(=O)CO4)c2)cc1 ZINC000019898322 553632335 /nfs/dbraw/zinc/63/23/35/553632335.db2.gz NPTHXIQGKZSTQD-UHFFFAOYSA-N 0 0 503.558 5.801 50 30 KKEARN COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000020353192 553640312 /nfs/dbraw/zinc/64/03/12/553640312.db2.gz BKYNCUGJQWVBKA-XODNFHPESA-N 0 0 503.644 5.631 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2F)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000020353473 553640477 /nfs/dbraw/zinc/64/04/77/553640477.db2.gz ZJFZUYZQVIHJQK-YPXUMCKCSA-N 0 0 509.554 5.622 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(F)c2)cc1OC ZINC000020367638 553643166 /nfs/dbraw/zinc/64/31/66/553643166.db2.gz XZKJPCMGDFFRMT-SMSORMJASA-N 0 0 526.608 6.152 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](c3c(F)cccc3Cl)CC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000020366151 553643223 /nfs/dbraw/zinc/64/32/23/553643223.db2.gz LMRYMSOADIBQTQ-QRQCRPRQSA-N 0 0 508.804 6.711 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](c3c(F)cccc3Cl)CC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000020366149 553643305 /nfs/dbraw/zinc/64/33/05/553643305.db2.gz LMRYMSOADIBQTQ-IVZQSRNASA-N 0 0 508.804 6.711 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000079204030 553669260 /nfs/dbraw/zinc/66/92/60/553669260.db2.gz BCTSRFZIGSWYBF-XIHUXHDVSA-N 0 0 682.727 9.684 50 30 biogenic KKEARN CCCCCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)CCCCCCCCCCC)cc2)cc1 ZINC000080675860 553673561 /nfs/dbraw/zinc/67/35/61/553673561.db2.gz NKRZRQKAJZGOST-UHFFFAOYSA-N 0 0 592.905 11.665 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000020568355 553673997 /nfs/dbraw/zinc/67/39/97/553673997.db2.gz WUTSQRUZBMZCRH-UHFFFAOYSA-N 0 0 524.488 7.546 50 30 KKEARN O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000020575936 553675512 /nfs/dbraw/zinc/67/55/12/553675512.db2.gz BAONNMYJJDPMKC-JLPGSUDCSA-N 0 0 506.580 6.166 50 30 KKEARN N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)CC2=O)cc1 ZINC000085392774 553679124 /nfs/dbraw/zinc/67/91/24/553679124.db2.gz SOTVPXXAOMOMAU-QHCPKHFHSA-N 0 0 527.628 5.482 50 30 KKEARN Cc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(NC(=O)Nc3ccccc3Cl)n2)s1 ZINC000020616432 553680067 /nfs/dbraw/zinc/68/00/67/553680067.db2.gz WPGAICWERNHIIR-KBKYJPHKSA-N 0 0 504.830 7.406 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3cccc(Br)c3)C12 ZINC000020090601 553685976 /nfs/dbraw/zinc/68/59/76/553685976.db2.gz KYYHZBGHAYZVLW-HXUWFJFHSA-N 0 0 501.837 6.008 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(C)cc1C)C[C@@](C)(c1cccnc1)O2 ZINC000020685958 553688988 /nfs/dbraw/zinc/68/89/88/553688988.db2.gz SHIAGQKZNOQQSN-NOJQWQQXSA-N 0 0 518.639 5.029 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879507 553689737 /nfs/dbraw/zinc/68/97/37/553689737.db2.gz KIEPMLPCRBZYPU-VWLOTQADSA-N 0 0 542.628 7.355 50 30 biogenic KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000089725092 553694125 /nfs/dbraw/zinc/69/41/25/553694125.db2.gz FMZIAUQYFNVJBY-UHFFFAOYSA-N 0 0 501.612 5.616 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C/c3ccc(OCCC(C)C)c(OC)c3)C2=O)ccc1OCCC(C)C ZINC000020115322 553696943 /nfs/dbraw/zinc/69/69/43/553696943.db2.gz HFXHTRCFBXLZQP-SZNZDIFOSA-N 0 0 506.683 7.774 50 30 KKEARN CCCCOc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000020115452 553697116 /nfs/dbraw/zinc/69/71/16/553697116.db2.gz PCTMFGPJRGVIDI-KUKFKUQFSA-N 0 0 520.710 8.308 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)C1 ZINC000020115552 553697138 /nfs/dbraw/zinc/69/71/38/553697138.db2.gz TZFMSIHCGJZMAA-XHQRYOPUSA-N 0 0 524.654 6.621 50 30 KKEARN Brc1ccccc1CN=Nc1nc(N=NCc2ccccc2Br)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000095100420 553698965 /nfs/dbraw/zinc/69/89/65/553698965.db2.gz VUNLTLQKCTXVBT-CRDPYYQKSA-N 0 0 642.359 7.758 50 30 KKEARN Nc1ccccc1Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000095100406 553698988 /nfs/dbraw/zinc/69/89/88/553698988.db2.gz LYSPVPIILPGPIA-UHFFFAOYSA-N 0 0 623.242 7.047 50 30 KKEARN O=C(Nc1cccc2ccccc21)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100639 553699199 /nfs/dbraw/zinc/69/91/99/553699199.db2.gz VATLADSQTZJOII-GXTWGEPZSA-N 0 0 621.243 7.651 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@@H](c2c(Cl)cccc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020850900 553700151 /nfs/dbraw/zinc/70/01/51/553700151.db2.gz GXCKSZFDLVSFPE-QHCPKHFHSA-N 0 0 513.494 7.152 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cccc(O)c2)cc1 ZINC000095201992 553700685 /nfs/dbraw/zinc/70/06/85/553700685.db2.gz KDNNIPZKTNDNEQ-DCFHFQCYSA-N 0 0 501.604 5.567 50 30 KKEARN CCOC(=O)/C=C1\C[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C(C)(C)C1=O ZINC000095471800 553701483 /nfs/dbraw/zinc/70/14/83/553701483.db2.gz SUNGIAGTTRIRSA-NADREFQRSA-N 0 0 524.786 7.545 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000095671143 553707081 /nfs/dbraw/zinc/70/70/81/553707081.db2.gz ZFSKHGHDIYRJMZ-UHFFFAOYSA-N 0 0 529.317 5.869 50 30 KKEARN O=P(OCC(F)(F)C(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F ZINC000095676813 553707420 /nfs/dbraw/zinc/70/74/20/553707420.db2.gz SEKXXYCKRMKLQG-UHFFFAOYSA-N 0 0 644.108 7.643 50 30 KKEARN C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681841 553707841 /nfs/dbraw/zinc/70/78/41/553707841.db2.gz UCHSAVGOZUCXHC-UHFFFAOYSA-N 0 0 546.114 7.452 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095682039 553708263 /nfs/dbraw/zinc/70/82/63/553708263.db2.gz ABNZIVVYHQYSLI-UHFFFAOYSA-N 0 0 628.119 7.075 50 30 KKEARN FC(F)(Br)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br ZINC000095697027 553708448 /nfs/dbraw/zinc/70/84/48/553708448.db2.gz MYPXRCQEBQPETF-UHFFFAOYSA-N 0 0 507.847 5.298 50 30 KKEARN N=C(NOC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1 ZINC000095703737 553708944 /nfs/dbraw/zinc/70/89/44/553708944.db2.gz ROKNWWDMEAXTHY-UHFFFAOYSA-N 0 0 517.920 6.413 50 30 KKEARN COc1c(Br)cc(C(=N)NOC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1Br ZINC000095704533 553708988 /nfs/dbraw/zinc/70/89/88/553708988.db2.gz RSIAQMGOUNZDJA-UHFFFAOYSA-N 0 0 578.044 5.968 50 30 KKEARN Cc1oc(C(C)(C)C)cc1-c1cc(NC(=O)Nc2ccccc2C#N)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000095704563 553709010 /nfs/dbraw/zinc/70/90/10/553709010.db2.gz BQOMKVVBYXOJCN-UHFFFAOYSA-N 0 0 575.513 8.292 50 30 KKEARN CCOC(=O)C[C@]1(C(=O)OCC)C[C@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O ZINC000095707882 553709609 /nfs/dbraw/zinc/70/96/09/553709609.db2.gz ZXPKQENNVJKVQL-PELKAZGASA-N 0 0 676.316 6.204 50 30 KKEARN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095708096 553709612 /nfs/dbraw/zinc/70/96/12/553709612.db2.gz IQHPIVLECIKIGS-UHFFFAOYSA-N 0 0 746.180 8.934 50 30 KKEARN CCOC(=O)[C@](O)(c1ccc(NC(=O)NC(Oc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000095722598 553710136 /nfs/dbraw/zinc/71/01/36/553710136.db2.gz FXONQMPFUWYJHM-GOSISDBHSA-N 0 0 596.374 5.169 50 30 KKEARN CC(C)(C)c1cc(N(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C#N)s1 ZINC000095742545 553711784 /nfs/dbraw/zinc/71/17/84/553711784.db2.gz PTBBNBKCAQGNKK-UHFFFAOYSA-N 0 0 732.590 8.577 50 30 KKEARN O=S(=O)(NCCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742713 553712206 /nfs/dbraw/zinc/71/22/06/553712206.db2.gz KHFANEFTSBLFGE-UHFFFAOYSA-N 0 0 626.441 5.409 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)C(=O)c1ccccc1Cl ZINC000096211344 553729960 /nfs/dbraw/zinc/72/99/60/553729960.db2.gz KHSDUQWSCXGOLA-UHFFFAOYSA-N 0 0 515.013 5.858 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1 ZINC000096287510 553738639 /nfs/dbraw/zinc/73/86/39/553738639.db2.gz XEMMFSGRJIYGDI-DEOSSOPVSA-N 0 0 510.059 5.935 50 30 KKEARN CCN1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(C#N)c2Cl)CC1 ZINC000096292466 553746547 /nfs/dbraw/zinc/74/65/47/553746547.db2.gz ROZLWTWKRJKXNF-MHZLTWQESA-N 0 0 529.059 6.040 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(O)c1 ZINC000096317070 553749780 /nfs/dbraw/zinc/74/97/80/553749780.db2.gz GXWHGKBLCKKBQS-PIIWDFAUSA-N 0 0 521.610 5.123 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000096562370 553755512 /nfs/dbraw/zinc/75/55/12/553755512.db2.gz VPAZMJXILJFFTB-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Sc2cccc3cccnc32)o1 ZINC000096602562 553756971 /nfs/dbraw/zinc/75/69/71/553756971.db2.gz BOZBTTCLYXTOFC-WJOKGBTCSA-N 0 0 502.639 8.442 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000097939625 553759989 /nfs/dbraw/zinc/75/99/89/553759989.db2.gz XOCLGPRHSZFPMO-CLYVBNDRSA-N 0 0 534.008 5.306 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939674 553760256 /nfs/dbraw/zinc/76/02/56/553760256.db2.gz DLTDFFZCYYLTJN-JRPXNJEYSA-N 0 0 573.642 5.060 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097939711 553760507 /nfs/dbraw/zinc/76/05/07/553760507.db2.gz ZMXCQPSKYTVKEP-QLXKLKPCSA-N 0 0 602.547 5.830 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000097939792 553761301 /nfs/dbraw/zinc/76/13/01/553761301.db2.gz RDHHMLYPFMKJOA-URAOTHONSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000097939835 553761645 /nfs/dbraw/zinc/76/16/45/553761645.db2.gz GDJAXOKOIOJBTP-RCRUUEGKSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(Br)c2)cc1OC ZINC000097939836 553761829 /nfs/dbraw/zinc/76/18/29/553761829.db2.gz GDJAXOKOIOJBTP-SMSORMJASA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2Cl)cc1 ZINC000097939853 553761840 /nfs/dbraw/zinc/76/18/40/553761840.db2.gz HDZQJPSEHOUXKQ-KEEVHDRGSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2OC)cc1OC ZINC000097939850 553761893 /nfs/dbraw/zinc/76/18/93/553761893.db2.gz XSHCCMIQKRHGPY-UVDDSOTQSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097939870 553762171 /nfs/dbraw/zinc/76/21/71/553762171.db2.gz UJMVCHZLOQXTHU-GHRAFVERSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(C)c2)cc1 ZINC000097939895 553762184 /nfs/dbraw/zinc/76/21/84/553762184.db2.gz WADREBZJJRZYFX-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(C)c2)cc1 ZINC000097939896 553762203 /nfs/dbraw/zinc/76/22/03/553762203.db2.gz WADREBZJJRZYFX-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939957 553762762 /nfs/dbraw/zinc/76/27/62/553762762.db2.gz WZTYOJRTVJNJPP-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000097939997 553763008 /nfs/dbraw/zinc/76/30/08/553763008.db2.gz AGPJBRPFKKVLEA-SFNQZPIRSA-N 0 0 609.517 6.862 50 30 KKEARN O=C(NCc1ccc(F)c(F)c1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940550 553766107 /nfs/dbraw/zinc/76/61/07/553766107.db2.gz BISCVVIODHBJLF-UHFFFAOYSA-N 0 0 525.399 6.785 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000097944512 553770121 /nfs/dbraw/zinc/77/01/21/553770121.db2.gz SHYNOKCHSSMSTC-PNQUVVCRSA-N 0 0 578.294 6.901 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]2c1ccc(F)cc1 ZINC000097945359 553771642 /nfs/dbraw/zinc/77/16/42/553771642.db2.gz TVHWFZQQWXXTEP-AREMUKBSSA-N 0 0 524.423 7.981 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)CCC3CCCC3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023308032 553772297 /nfs/dbraw/zinc/77/22/97/553772297.db2.gz ACTUSFZTDBVJEM-HKBQPEDESA-N 0 0 514.714 5.531 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946187 553777424 /nfs/dbraw/zinc/77/74/24/553777424.db2.gz DFWGLDMQBSRTKG-DAIZXWHWSA-N 0 0 632.742 5.224 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946221 553777705 /nfs/dbraw/zinc/77/77/05/553777705.db2.gz SGWSWIKHSNXVJK-VZVSMJQGSA-N 0 0 658.780 5.699 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023440089 553778186 /nfs/dbraw/zinc/77/81/86/553778186.db2.gz GEDYIYYGUQOTNY-YTTGMZPUSA-N 0 0 522.693 5.193 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cc(C)ccc3C)nc2-c2ccccc2)SC1=S ZINC000097946504 553779793 /nfs/dbraw/zinc/77/97/93/553779793.db2.gz YXGUZRCQYCHXEL-DIBXZPPDSA-N 0 0 560.789 7.367 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1OC ZINC000097946538 553779975 /nfs/dbraw/zinc/77/99/75/553779975.db2.gz ITKVTHWNPRKVAE-ULJHMMPZSA-N 0 0 503.624 5.778 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023446161 553780215 /nfs/dbraw/zinc/78/02/15/553780215.db2.gz XFCGISJSHVQVTN-HHHXNRCGSA-N 0 0 524.448 5.590 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1C ZINC000097946626 553780735 /nfs/dbraw/zinc/78/07/35/553780735.db2.gz QGASIDBAJPPOKE-BRPDVVIDSA-N 0 0 573.722 6.389 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000097946642 553780813 /nfs/dbraw/zinc/78/08/13/553780813.db2.gz NKBZSYBOCGVJKB-ODDIJWGJSA-N 0 0 512.745 5.739 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3c(Cl)cccc3Cl)cc2)c1 ZINC000023448361 553781341 /nfs/dbraw/zinc/78/13/41/553781341.db2.gz VOPNEEXXQCLCFJ-RIKCKFAHSA-N 0 0 523.485 7.372 50 30 KKEARN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)cc1OC ZINC000097946812 553781848 /nfs/dbraw/zinc/78/18/48/553781848.db2.gz WXPUMVFJPSNTOD-CCVNUDIWSA-N 0 0 571.884 6.942 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccc(C)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947052 553783337 /nfs/dbraw/zinc/78/33/37/553783337.db2.gz KCQRQNMTYBUNJO-USUABIMMSA-N 0 0 541.909 5.887 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCc1ccc(C#N)cc1 ZINC000023458916 553784972 /nfs/dbraw/zinc/78/49/72/553784972.db2.gz QWUAOXFDHNUPEH-FQEVSTJZSA-N 0 0 512.701 5.047 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2nc3ccccc3o2)cc1 ZINC000097947633 553787572 /nfs/dbraw/zinc/78/75/72/553787572.db2.gz FTQQXGCJBLIHRH-MOHJPFBDSA-N 0 0 532.423 8.997 50 30 KKEARN CCOc1cc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 ZINC000097947725 553788257 /nfs/dbraw/zinc/78/82/57/553788257.db2.gz GSUHMJJYBMPZJB-XYGWBWBKSA-N 0 0 600.067 7.908 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1F)[C@@H]2c1ccccc1OCc1ccccc1 ZINC000097947947 553790066 /nfs/dbraw/zinc/79/00/66/553790066.db2.gz PVSIXWQCKNVWRW-MGBGTMOVSA-N 0 0 546.642 7.862 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000097947984 553790291 /nfs/dbraw/zinc/79/02/91/553790291.db2.gz YHSYTAQIHWMBKE-HPMVVLTCSA-N 0 0 548.086 7.620 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1[C@@H](C)Oc1cccc(C)c1C ZINC000097948085 553790949 /nfs/dbraw/zinc/79/09/49/553790949.db2.gz LPXHBKNLMCFIHE-UXHICEINSA-N 0 0 551.782 6.870 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1[C@H](C)Oc1cccc(C)c1C ZINC000097948086 553790952 /nfs/dbraw/zinc/79/09/52/553790952.db2.gz LPXHBKNLMCFIHE-VQTJNVASSA-N 0 0 551.782 6.870 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097948442 553793847 /nfs/dbraw/zinc/79/38/47/553793847.db2.gz OYMHXGBXMIFEKE-NDEPHWFRSA-N 0 0 570.671 6.785 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000097948806 553796901 /nfs/dbraw/zinc/79/69/01/553796901.db2.gz LAWAZZKJFXTFSY-XOAACPPSSA-N 0 0 604.722 8.618 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CSc4nc5ccccc5s4)[C@@H]3c3cccs3)C2)cc1 ZINC000097948879 553797423 /nfs/dbraw/zinc/79/74/23/553797423.db2.gz GSRZBVWUZNNIHW-GFJKYASSSA-N 0 0 609.798 8.059 50 30 KKEARN CC(C)(C)c1cc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000097948973 553798184 /nfs/dbraw/zinc/79/81/84/553798184.db2.gz JHRDMCPAFWRGOW-NHOCJEJCSA-N 0 0 622.806 9.402 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000097949012 553798418 /nfs/dbraw/zinc/79/84/18/553798418.db2.gz VVLJUSPPVBCKIM-IIMAJNMQSA-N 0 0 628.958 6.992 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097949090 553799349 /nfs/dbraw/zinc/79/93/49/553799349.db2.gz HTHYMTDULWXGKP-CQGGRAHPSA-N 0 0 642.627 6.201 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097949089 553799353 /nfs/dbraw/zinc/79/93/53/553799353.db2.gz HTHYMTDULWXGKP-ADKRDUOOSA-N 0 0 642.627 6.201 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097949091 553799388 /nfs/dbraw/zinc/79/93/88/553799388.db2.gz HTHYMTDULWXGKP-SFNQZPIRSA-N 0 0 642.627 6.201 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097949132 553799748 /nfs/dbraw/zinc/79/97/48/553799748.db2.gz OOUURFFQUIEZGB-FRRBMJAGSA-N 0 0 649.231 9.573 50 30 KKEARN O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000097949190 553800281 /nfs/dbraw/zinc/80/02/81/553800281.db2.gz IANXZDDGHRAQHG-UHFFFAOYSA-N 0 0 662.671 7.631 50 30 KKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(Cc1ccccc1)C3 ZINC000097949632 553802538 /nfs/dbraw/zinc/80/25/38/553802538.db2.gz TTZXPGUVGPJMRM-UHFFFAOYSA-N 0 0 517.764 7.127 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)c2C#N)cc1OC ZINC000097949586 553802638 /nfs/dbraw/zinc/80/26/38/553802638.db2.gz HBOOKFORKDXWPH-UHFFFAOYSA-N 0 0 545.730 6.543 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCC)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000097949809 553803138 /nfs/dbraw/zinc/80/31/38/553803138.db2.gz LLJDPDHFBANEHH-WOPWWUTRSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949765 553803148 /nfs/dbraw/zinc/80/31/48/553803148.db2.gz JBEWGXFOHRTWPE-JOCHJYFZSA-N 0 0 507.462 7.234 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000097949754 553803204 /nfs/dbraw/zinc/80/32/04/553803204.db2.gz WVZBLLQDWYWCBB-UHFFFAOYSA-N 0 0 506.716 7.229 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000097949879 553803487 /nfs/dbraw/zinc/80/34/87/553803487.db2.gz CLBGZIRSQYPYBK-UHFFFAOYSA-N 0 0 806.275 11.870 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000097950373 553804192 /nfs/dbraw/zinc/80/41/92/553804192.db2.gz VTHZDUTXHQRWLT-QHCPKHFHSA-N 0 0 515.658 5.804 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCCC)cc3)cc2)cc1 ZINC000097950573 553804714 /nfs/dbraw/zinc/80/47/14/553804714.db2.gz PWMLULAXQMUEAV-UHFFFAOYSA-N 0 0 630.866 11.164 50 30 KKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950702 553805242 /nfs/dbraw/zinc/80/52/42/553805242.db2.gz ROJGWQZSTVVIEP-HNNXBMFYSA-N 0 0 503.721 5.909 50 30 KKEARN CCC(CC)NS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)NC(CC)CC)ccc1-2 ZINC000097950725 553805259 /nfs/dbraw/zinc/80/52/59/553805259.db2.gz OKYVRXJQRCKKBE-UHFFFAOYSA-N 0 0 568.765 5.465 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000097950740 553805274 /nfs/dbraw/zinc/80/52/74/553805274.db2.gz AOSADNJLKBKCGA-DEOSSOPVSA-N 0 0 581.050 7.663 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000097950750 553805500 /nfs/dbraw/zinc/80/55/00/553805500.db2.gz OMCIUWUAQDSRRE-HSZRJFAPSA-N 0 0 507.930 7.399 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097950771 553805540 /nfs/dbraw/zinc/80/55/40/553805540.db2.gz ODLLPOLMEZBIRH-AREMUKBSSA-N 0 0 573.074 9.030 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950885 553805980 /nfs/dbraw/zinc/80/59/80/553805980.db2.gz KSMZVEPOZOTQNP-NRFANRHFSA-N 0 0 528.790 8.375 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097950932 553806299 /nfs/dbraw/zinc/80/62/99/553806299.db2.gz NFHCOPUJULVMHB-QFIPXVFZSA-N 0 0 591.904 9.184 50 30 KKEARN Cc1cc(SCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)cc1Br ZINC000025392267 553807636 /nfs/dbraw/zinc/80/76/36/553807636.db2.gz KNRBTPMYHOWVON-LBPRGKRZSA-N 0 0 507.475 5.398 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCCCC)cc4)=NN32)cc1 ZINC000097951319 553808337 /nfs/dbraw/zinc/80/83/37/553808337.db2.gz MKJGTXYHRWDRIY-TWJUONSBSA-N 0 0 526.721 8.847 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCCCC)cc4)=NN32)cc1 ZINC000097951318 553808343 /nfs/dbraw/zinc/80/83/43/553808343.db2.gz MKJGTXYHRWDRIY-UZNNEEJFSA-N 0 0 526.721 8.847 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000097951346 553808390 /nfs/dbraw/zinc/80/83/90/553808390.db2.gz CIFNFQOJHWIFEG-FIBWVYCGSA-N 0 0 505.058 7.940 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951383 553808545 /nfs/dbraw/zinc/80/85/45/553808545.db2.gz SJXGOEQSMNZKQO-UHFFFAOYSA-N 0 0 511.776 8.951 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCC)cc2)cc1 ZINC000097951393 553808854 /nfs/dbraw/zinc/80/88/54/553808854.db2.gz KAPCAPLPMURCHQ-LMSSTIIKSA-N 0 0 533.466 7.435 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000097951419 553808862 /nfs/dbraw/zinc/80/88/62/553808862.db2.gz MPSSQXCPLPZGCE-WEZIJMHWSA-N 0 0 510.678 8.233 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097951483 553809410 /nfs/dbraw/zinc/80/94/10/553809410.db2.gz JXLGKJXTDIULAS-JPZYQRIQSA-N 0 0 533.499 8.249 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000097951544 553809685 /nfs/dbraw/zinc/80/96/85/553809685.db2.gz JMUROROFMNTTMD-HKBQPEDESA-N 0 0 517.754 9.055 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097951648 553810239 /nfs/dbraw/zinc/81/02/39/553810239.db2.gz CYWSSBJERITKFI-RUZDIDTESA-N 0 0 535.438 6.110 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000097951777 553811079 /nfs/dbraw/zinc/81/10/79/553811079.db2.gz DBIIRGCEZFAHEL-XMMPIXPASA-N 0 0 546.601 5.504 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951817 553811446 /nfs/dbraw/zinc/81/14/46/553811446.db2.gz OLPFXWUGYBEAGT-HHHXNRCGSA-N 0 0 546.620 5.373 50 30 KKEARN CCCCCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc1 ZINC000097951844 553811696 /nfs/dbraw/zinc/81/16/96/553811696.db2.gz UWDVMASLHQCYAD-FQEVSTJZSA-N 0 0 532.728 5.145 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000025584550 553811958 /nfs/dbraw/zinc/81/19/58/553811958.db2.gz UNVQPLFFLKMJEK-VWLOTQADSA-N 0 0 524.455 6.195 50 30 KKEARN N=C1O[C@H](c2ccccc2Cl)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025585344 553812170 /nfs/dbraw/zinc/81/21/70/553812170.db2.gz YFTAZFZTWDKELA-JXYWBRAFSA-N 0 0 503.993 7.631 50 30 KKEARN O=C(/C=C/c1ccc(Br)s1)c1cncc(C(=O)/C=C/c2ccc(Br)s2)c1 ZINC000025693869 553812771 /nfs/dbraw/zinc/81/27/71/553812771.db2.gz SGCXXNMUGOAFLC-IJIVKGSJSA-N 0 0 509.244 6.522 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000097952236 553814151 /nfs/dbraw/zinc/81/41/51/553814151.db2.gz DYPNVKPZYHOJQY-SSEXGKCCSA-N 0 0 535.596 6.510 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000025783638 553814153 /nfs/dbraw/zinc/81/41/53/553814153.db2.gz YBTWNDVZXOFUBT-QFIPXVFZSA-N 0 0 523.014 6.101 50 30 KKEARN Cc1ccsc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000025783571 553814164 /nfs/dbraw/zinc/81/41/64/553814164.db2.gz KIXFEUJQJSGEGS-SIBVEZHUSA-N 0 0 522.592 7.076 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952256 553814465 /nfs/dbraw/zinc/81/44/65/553814465.db2.gz OQLRNOXHGFFULW-VWLOTQADSA-N 0 0 533.049 7.084 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952283 553814481 /nfs/dbraw/zinc/81/44/81/553814481.db2.gz LHKBRLFQZACPHF-JOCHJYFZSA-N 0 0 519.420 6.404 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000097952323 553815046 /nfs/dbraw/zinc/81/50/46/553815046.db2.gz ZNJCIYNYZFQONI-SSEXGKCCSA-N 0 0 534.612 6.146 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000097952348 553815135 /nfs/dbraw/zinc/81/51/35/553815135.db2.gz QLSQEGRSJGJJDI-GDLZYMKVSA-N 0 0 539.584 5.963 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952393 553815363 /nfs/dbraw/zinc/81/53/63/553815363.db2.gz AMYANVBAHHNGTE-AREMUKBSSA-N 0 0 528.630 6.493 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Br)c1 ZINC000097952479 553816076 /nfs/dbraw/zinc/81/60/76/553816076.db2.gz HBLLIDMULAHZPR-VWLOTQADSA-N 0 0 536.422 5.561 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952530 553816233 /nfs/dbraw/zinc/81/62/33/553816233.db2.gz AIRJCWRZFWWNIB-XMMPIXPASA-N 0 0 535.021 6.312 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952528 553816273 /nfs/dbraw/zinc/81/62/73/553816273.db2.gz JZFCCUUUBJSJOG-RUZDIDTESA-N 0 0 542.613 5.827 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952570 553816658 /nfs/dbraw/zinc/81/66/58/553816658.db2.gz XVDSUYLHSCENFV-HSZRJFAPSA-N 0 0 549.446 6.413 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000097952569 553816661 /nfs/dbraw/zinc/81/66/61/553816661.db2.gz GKUMZANCHSRNEG-NDEPHWFRSA-N 0 0 542.035 6.093 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952595 553817110 /nfs/dbraw/zinc/81/71/10/553817110.db2.gz SRAUJXARLRYCNW-AREMUKBSSA-N 0 0 542.613 5.970 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952681 553817714 /nfs/dbraw/zinc/81/77/14/553817714.db2.gz QKYMKXVWFSRODM-NDEPHWFRSA-N 0 0 544.604 5.209 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000097952943 553818131 /nfs/dbraw/zinc/81/81/31/553818131.db2.gz KFVDGXGEXQHMRY-LSYYVWMOSA-N 0 0 523.471 7.942 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097952952 553818195 /nfs/dbraw/zinc/81/81/95/553818195.db2.gz VNTWQRRUOZTRJB-PMERELPUSA-N 0 0 533.580 6.071 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097953003 553818473 /nfs/dbraw/zinc/81/84/73/553818473.db2.gz YEYAGTXSOGQJME-GDLZYMKVSA-N 0 0 543.616 5.466 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000026459126 553818549 /nfs/dbraw/zinc/81/85/49/553818549.db2.gz YQFCURFXIWPPHC-AREMUKBSSA-N 0 0 523.557 5.639 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000026459159 553818553 /nfs/dbraw/zinc/81/85/53/553818553.db2.gz VCEZGLGNRQZADY-HHHXNRCGSA-N 0 0 513.521 5.785 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@H]2c1cccc(Br)c1 ZINC000097953037 553818871 /nfs/dbraw/zinc/81/88/71/553818871.db2.gz PZFUMDQZVSIXIG-SVBPBHIXSA-N 0 0 529.434 6.935 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000097953069 553819050 /nfs/dbraw/zinc/81/90/50/553819050.db2.gz UZRRGJZZAMTZHA-HKBQPEDESA-N 0 0 535.744 9.194 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097953084 553819062 /nfs/dbraw/zinc/81/90/62/553819062.db2.gz IWSQASPYXLLBFE-MUUNZHRXSA-N 0 0 537.572 5.115 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097953922 553819956 /nfs/dbraw/zinc/81/99/56/553819956.db2.gz FYMFLEJAWRQLQU-AREMUKBSSA-N 0 0 540.597 5.724 50 30 KKEARN C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000026920639 553821891 /nfs/dbraw/zinc/82/18/91/553821891.db2.gz YMZKYKYDGNRSLC-BNEICHJSSA-N 0 0 508.441 6.080 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954237 553822228 /nfs/dbraw/zinc/82/22/28/553822228.db2.gz RQOLDMQABWCWLS-GDLZYMKVSA-N 0 0 515.786 9.347 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 ZINC000027017963 553823360 /nfs/dbraw/zinc/82/33/60/553823360.db2.gz KFAQTIQKUVYAOB-MHZLTWQESA-N 0 0 500.599 5.321 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000027021091 553824022 /nfs/dbraw/zinc/82/40/22/553824022.db2.gz CNLNPITZQNDMFE-QHCPKHFHSA-N 0 0 513.644 6.230 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000097954852 553825867 /nfs/dbraw/zinc/82/58/67/553825867.db2.gz UFBBVLSQAXZQGU-HSZRJFAPSA-N 0 0 534.634 5.898 50 30 KKEARN Cc1c2ccc(OCC(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2oc(=O)c1Cc1ccccc1 ZINC000027519995 553826718 /nfs/dbraw/zinc/82/67/18/553826718.db2.gz PZWAMJSYWXJHGW-LQKURTRISA-N 0 0 516.510 5.684 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000027521229 553827352 /nfs/dbraw/zinc/82/73/52/553827352.db2.gz YZSFESIHIFBLEA-JCBSDACKSA-N 0 0 520.654 7.700 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955021 553827451 /nfs/dbraw/zinc/82/74/51/553827451.db2.gz HXKXCGDYAOBFQG-AKJBCIBTSA-N 0 0 545.060 7.179 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000097955110 553828731 /nfs/dbraw/zinc/82/87/31/553828731.db2.gz CXPUNQIOJNZZPD-VKGTZQKMSA-N 0 0 552.696 7.317 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522363 553828756 /nfs/dbraw/zinc/82/87/56/553828756.db2.gz FUFWODJSBMWULU-HZVWYJMBSA-N 0 0 524.042 5.908 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522418 553829022 /nfs/dbraw/zinc/82/90/22/553829022.db2.gz KXCIKJOGFWBKTB-DQHMDIJASA-N 0 0 522.026 5.677 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000097955139 553829032 /nfs/dbraw/zinc/82/90/32/553829032.db2.gz YESDDPUHNOZCHV-PMERELPUSA-N 0 0 533.628 5.814 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000027522430 553829086 /nfs/dbraw/zinc/82/90/86/553829086.db2.gz HCSXXNFXBZNBFH-FZWCJVCJSA-N 0 0 522.070 5.272 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955156 553829129 /nfs/dbraw/zinc/82/91/29/553829129.db2.gz GJHVHEAQXNVGJE-URAOTHONSA-N 0 0 541.644 6.019 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955158 553829135 /nfs/dbraw/zinc/82/91/35/553829135.db2.gz GJHVHEAQXNVGJE-IIMAJNMQSA-N 0 0 541.644 6.019 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097955216 553829831 /nfs/dbraw/zinc/82/98/31/553829831.db2.gz VHGSHLRJPVXKPD-MRDQGFSESA-N 0 0 526.614 6.110 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955253 553830364 /nfs/dbraw/zinc/83/03/64/553830364.db2.gz FNMAQXFMRKZTMM-ODCWNRFASA-N 0 0 547.032 6.455 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)N(C4CCCC4)C3=O)c2C)cc1 ZINC000027527983 553831347 /nfs/dbraw/zinc/83/13/47/553831347.db2.gz AICPZFOVJMLAFN-DEVFJJIFSA-N 0 0 513.663 6.817 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955586 553831546 /nfs/dbraw/zinc/83/15/46/553831546.db2.gz OBWWPUGFELGZCX-YHAMSUFESA-N 0 0 542.613 5.810 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955672 553832797 /nfs/dbraw/zinc/83/27/97/553832797.db2.gz OIFLNOFYRNDDCH-YMGMXPECSA-N 0 0 588.657 6.729 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccs2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547532 553833048 /nfs/dbraw/zinc/83/30/48/553833048.db2.gz HZWQXRGJIAMJCW-HFJWLAOPSA-N 0 0 508.565 6.767 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097955703 553833128 /nfs/dbraw/zinc/83/31/28/553833128.db2.gz WZSHRQCCPXZPGE-SSEXGKCCSA-N 0 0 614.720 7.127 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097955707 553833148 /nfs/dbraw/zinc/83/31/48/553833148.db2.gz FZJADHXKGAOPQK-PIIWDFAUSA-N 0 0 545.636 5.063 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955748 553833565 /nfs/dbraw/zinc/83/35/65/553833565.db2.gz VCIJWGKXDIGZOC-PUAOIOHZSA-N 0 0 541.585 5.928 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097955734 553833584 /nfs/dbraw/zinc/83/35/84/553833584.db2.gz VCNIPFSHEWPWKK-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955759 553833599 /nfs/dbraw/zinc/83/35/99/553833599.db2.gz GZTNQWAAWSLBJQ-OLILMLBXSA-N 0 0 542.632 5.761 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955746 553833623 /nfs/dbraw/zinc/83/36/23/553833623.db2.gz VCIJWGKXDIGZOC-IVCQMTBJSA-N 0 0 541.585 5.928 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955818 553834202 /nfs/dbraw/zinc/83/42/02/553834202.db2.gz ZWIGRVOWZKLLLY-BSEYFRJRSA-N 0 0 533.005 6.065 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955804 553834217 /nfs/dbraw/zinc/83/42/17/553834217.db2.gz KFPMLYTVLDONCL-YRVHBCJASA-N 0 0 602.684 7.119 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc(Cl)c1 ZINC000027551620 553834653 /nfs/dbraw/zinc/83/46/53/553834653.db2.gz SVGQCCBTCWANLM-DCEDVJGZSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000027551643 553834721 /nfs/dbraw/zinc/83/47/21/553834721.db2.gz GYPLXOIOMWJSII-GVXSCFBNSA-N 0 0 524.013 5.063 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955873 553834881 /nfs/dbraw/zinc/83/48/81/553834881.db2.gz HFXHBJCRGQIUGD-YHAMSUFESA-N 0 0 542.613 5.810 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000097955990 553835568 /nfs/dbraw/zinc/83/55/68/553835568.db2.gz KNPDNSGXLUIIBS-CRWDIWNYSA-N 0 0 560.719 8.140 50 30 KKEARN C[C@H](NC(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)c1ccc(Br)cc1 ZINC000097956112 553836081 /nfs/dbraw/zinc/83/60/81/553836081.db2.gz IOCGWTQKEIYFMC-ZDUSSCGKSA-N 0 0 542.231 5.471 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000027987976 553837032 /nfs/dbraw/zinc/83/70/32/553837032.db2.gz UAYLATQCRYMEDQ-NDEPHWFRSA-N 0 0 515.606 6.047 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956556 553839370 /nfs/dbraw/zinc/83/93/70/553839370.db2.gz FXSFLJYGLYTHIK-DXPJPUQTSA-N 0 0 542.588 6.107 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccc(C)cc5)n23)CC(C)(C)OC4)cc1 ZINC000097956688 553840784 /nfs/dbraw/zinc/84/07/84/553840784.db2.gz IQYHELUROOPAEP-UHFFFAOYSA-N 0 0 540.649 5.438 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956845 553842693 /nfs/dbraw/zinc/84/26/93/553842693.db2.gz FPNIMUNAYMERPG-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000029747959 553849227 /nfs/dbraw/zinc/84/92/27/553849227.db2.gz BEOFNPMJUXRYNE-ROTAYESASA-N 0 0 568.626 5.441 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cc(C)ccc3C(C)C)c(OCC)c2)SC1=S ZINC000097958174 553851727 /nfs/dbraw/zinc/85/17/27/553851727.db2.gz VAPPPFHXMNAVAL-KOEQRZSOSA-N 0 0 546.154 7.406 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2CCc2ccccc2F)cc1 ZINC000097958191 553852062 /nfs/dbraw/zinc/85/20/62/553852062.db2.gz BMLVGRYTGQDODE-KOHVVVGESA-N 0 0 554.043 5.859 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)c(OCCOc4ccc(C(C)(C)C)cc4)c(OC)c3)C2=N)S1 ZINC000097958528 553855485 /nfs/dbraw/zinc/85/54/85/553855485.db2.gz WJUAVBMITMUNMN-GAMCDWRHSA-N 0 0 655.659 8.193 50 30 KKEARN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 ZINC000030809055 553857118 /nfs/dbraw/zinc/85/71/18/553857118.db2.gz KVHRVTMKTTYFMZ-OYKKKHCWSA-N 0 0 517.323 5.623 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097959004 553859747 /nfs/dbraw/zinc/85/97/47/553859747.db2.gz VGMABKNPIGBMIO-FPVUOMKESA-N 0 0 561.660 5.431 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2cccc(/N=C/c3ccccc3NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000097959225 553862016 /nfs/dbraw/zinc/86/20/16/553862016.db2.gz GNJHMRHGEUIVCN-VJTPSNAYSA-N 0 0 622.772 7.406 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000097959321 553862583 /nfs/dbraw/zinc/86/25/83/553862583.db2.gz CXXDOAGGKSIOOB-UHFFFAOYSA-N 0 0 551.496 5.839 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(OCC(C)C)cc1 ZINC000097959320 553862651 /nfs/dbraw/zinc/86/26/51/553862651.db2.gz UKEPQTKXNGDDGT-UHFFFAOYSA-N 0 0 525.889 6.857 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)cc2OCC)c(OC)c1 ZINC000097959431 553863665 /nfs/dbraw/zinc/86/36/65/553863665.db2.gz XPMDIDWQZZIMQR-MKVHLLFXSA-N 0 0 596.709 6.256 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCc5ccccc5C#N)c(Br)c4)c(=O)n32)cc1 ZINC000097959478 553863930 /nfs/dbraw/zinc/86/39/30/553863930.db2.gz DLQFTXORQFFBGP-TZUCAZQYSA-N 0 0 658.574 5.409 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959666 553865164 /nfs/dbraw/zinc/86/51/64/553865164.db2.gz VMDAGZMARWZUBX-XGNCBHKFSA-N 0 0 588.032 6.192 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000097959701 553865501 /nfs/dbraw/zinc/86/55/01/553865501.db2.gz DSERPIWISNAFMH-VFPKNACXSA-N 0 0 580.106 6.118 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959712 553865881 /nfs/dbraw/zinc/86/58/81/553865881.db2.gz XHMZZMSAAONJCY-IABYKIDSSA-N 0 0 551.640 5.445 50 30 KKEARN Cc1cc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000097959782 553866072 /nfs/dbraw/zinc/86/60/72/553866072.db2.gz CRAHTEXFISTKLA-WJTLWOGJSA-N 0 0 553.487 6.880 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000097959820 553866428 /nfs/dbraw/zinc/86/64/28/553866428.db2.gz UOUTZOLUQUZMTM-BKJYUTSDSA-N 0 0 524.045 7.740 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000097959829 553866436 /nfs/dbraw/zinc/86/64/36/553866436.db2.gz WFUZTTHATKYGSI-YUMHPJSZSA-N 0 0 532.040 7.357 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000097959846 553866497 /nfs/dbraw/zinc/86/64/97/553866497.db2.gz KNHLQXDAFDLERJ-PMERELPUSA-N 0 0 665.028 7.945 50 30 KKEARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000097959874 553866776 /nfs/dbraw/zinc/86/67/76/553866776.db2.gz JJQNCJKUAQLHDU-QUNTYYFUSA-N 0 0 675.783 5.288 50 30 KKEARN CC[C@@H](C)Oc1c(I)cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000097960131 553868262 /nfs/dbraw/zinc/86/82/62/553868262.db2.gz OHHBGJPNGJTDPU-VBYYMIJXSA-N 0 0 577.271 6.676 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000097960219 553869338 /nfs/dbraw/zinc/86/93/38/553869338.db2.gz LICZNNXZXAVASC-LMQTZDNFSA-N 0 0 557.594 5.926 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000097960429 553871718 /nfs/dbraw/zinc/87/17/18/553871718.db2.gz OTGQDUAIGBNNOO-MNMIYWSCSA-N 0 0 541.504 6.471 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000097960995 553874745 /nfs/dbraw/zinc/87/47/45/553874745.db2.gz ZLRCFABFMDABJG-UXHLAJHPSA-N 0 0 595.124 6.762 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cc(OC)ccc2OC)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000097961044 553875191 /nfs/dbraw/zinc/87/51/91/553875191.db2.gz GBKCLLAVKCJNLE-ZPOUEADKSA-N 0 0 548.705 7.096 50 30 KKEARN CCOc1c(I)cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1OC ZINC000032916763 553876491 /nfs/dbraw/zinc/87/64/91/553876491.db2.gz AOEGRNWEFYRXSM-WOJGMQOQSA-N 0 0 508.381 5.207 50 30 KKEARN Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000032957393 553881492 /nfs/dbraw/zinc/88/14/92/553881492.db2.gz VDYVSKCASBARBX-QRQIAZFYSA-N 0 0 514.094 7.474 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1 ZINC000097962025 553882462 /nfs/dbraw/zinc/88/24/62/553882462.db2.gz YGGNQFHYMNZOHF-FWTQKNDTSA-N 0 0 563.643 5.915 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097962046 553882487 /nfs/dbraw/zinc/88/24/87/553882487.db2.gz SUDRMGZNSVDJRF-IKFBEQMSSA-N 0 0 567.646 5.558 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000097962038 553882552 /nfs/dbraw/zinc/88/25/52/553882552.db2.gz YTGKHSGLVSWCTE-XCKNBCKJSA-N 0 0 557.610 6.521 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@](O)(CC(=O)C=Cc2ccc3c(c2)OCO3)C1=O ZINC000097962078 553882856 /nfs/dbraw/zinc/88/28/56/553882856.db2.gz WRMCJEYPDWILPK-JLRXKOEZSA-N 0 0 562.460 6.017 50 30 KKEARN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097962107 553883031 /nfs/dbraw/zinc/88/30/31/553883031.db2.gz YGTNFUNPGCKGNB-XKZIYDEJSA-N 0 0 627.485 5.297 50 30 KKEARN COc1ccc(C(=O)C2=CN(c3cccc(Br)c3)c3ccccc3S2(=O)=O)cc1OC ZINC000032984495 553884752 /nfs/dbraw/zinc/88/47/52/553884752.db2.gz IRXMBFYZWFDQTO-UHFFFAOYSA-N 0 0 500.370 5.116 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000097963996 553895718 /nfs/dbraw/zinc/89/57/18/553895718.db2.gz BWOUDFPZZWDNEG-UVPDUMAMSA-N 0 0 604.408 8.436 50 30 KKEARN CCOc1cc(C=NN2C(=O)CSC2=S)cc(Cl)c1OCCOc1ccc(Br)cc1 ZINC000097964051 553895914 /nfs/dbraw/zinc/89/59/14/553895914.db2.gz MFUKFBRWUCVCOU-FOKLQQMPSA-N 0 0 529.865 5.153 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N ZINC000097965398 553904497 /nfs/dbraw/zinc/90/44/97/553904497.db2.gz ZGFPHEMBFKJLKR-JEPNHJGPSA-N 0 0 576.498 7.741 50 30 KKEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000097965459 553904783 /nfs/dbraw/zinc/90/47/83/553904783.db2.gz CUDHJXVUZQCQIB-LAUBZIAYSA-N 0 0 533.653 5.092 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C1c3ccccc3C2(CN=Nc2nc3ccccc3s2)c2ccccc21 ZINC000097965472 553904819 /nfs/dbraw/zinc/90/48/19/553904819.db2.gz BGWVDCDNSDMHHU-QMQPYWSFSA-N 0 0 526.621 5.945 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000097965579 553905488 /nfs/dbraw/zinc/90/54/88/553905488.db2.gz KLWRJEXWDXDGSO-KBKYJPHKSA-N 0 0 571.694 5.929 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccco2)cc1OC ZINC000097965913 553906189 /nfs/dbraw/zinc/90/61/89/553906189.db2.gz OYHUGIJBBMUHPP-PYSWJWCMSA-N 0 0 577.601 5.455 50 30 KKEARN Cc1oc(/N=C/c2cc(I)c(OC(C)C)c(I)c2)c(C#N)c1C ZINC000097966036 553906783 /nfs/dbraw/zinc/90/67/83/553906783.db2.gz YNGTZTNVTZMMEN-ODCIPOBUSA-N 0 0 534.135 5.515 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(C=c3sc(=C(C#N)C(=O)Nc4ccccc4Cl)n(-c4ccccc4)c3=O)o2)cc1 ZINC000097966718 553909598 /nfs/dbraw/zinc/90/95/98/553909598.db2.gz CGXLMJKEKFWMJH-ZTDDORFBSA-N 0 0 596.064 5.780 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966801 553910401 /nfs/dbraw/zinc/91/04/01/553910401.db2.gz LOVZXAFGTVTFOL-PMERELPUSA-N 0 0 593.721 8.563 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966780 553910433 /nfs/dbraw/zinc/91/04/33/553910433.db2.gz MXNCAJFVHYLHDN-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097966825 553910812 /nfs/dbraw/zinc/91/08/12/553910812.db2.gz JPWTUQFPCHFMTN-HKBQPEDESA-N 0 0 596.650 9.817 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097966854 553911059 /nfs/dbraw/zinc/91/10/59/553911059.db2.gz LIARQLWRTYMKDD-HKBQPEDESA-N 0 0 564.638 6.155 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097966865 553911220 /nfs/dbraw/zinc/91/12/20/553911220.db2.gz GJMKNMGIKUJZDK-HKBQPEDESA-N 0 0 612.649 9.517 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097967050 553913483 /nfs/dbraw/zinc/91/34/83/553913483.db2.gz SRJYUNQNNFYQML-XMMPIXPASA-N 0 0 560.672 6.192 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097967127 553913944 /nfs/dbraw/zinc/91/39/44/553913944.db2.gz QRDQJLOFRORMRH-JRPXNJEYSA-N 0 0 557.643 5.603 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1 ZINC000097967211 553915399 /nfs/dbraw/zinc/91/53/99/553915399.db2.gz YBIQUXVMBCRXLY-SSEXGKCCSA-N 0 0 661.519 10.271 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967253 553915724 /nfs/dbraw/zinc/91/57/24/553915724.db2.gz AMFKYVYYCPCWAM-YTTGMZPUSA-N 0 0 577.633 5.866 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967245 553915737 /nfs/dbraw/zinc/91/57/37/553915737.db2.gz KJUYEXJOIBAZRY-ODCWNRFASA-N 0 0 565.478 7.326 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967304 553916803 /nfs/dbraw/zinc/91/68/03/553916803.db2.gz YTDJRYOERMVAFZ-MQNRADLISA-N 0 0 556.596 5.198 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967357 553917190 /nfs/dbraw/zinc/91/71/90/553917190.db2.gz LTYMDGVBYOXIHV-OQRWROFFSA-N 0 0 572.639 5.819 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000097967404 553918072 /nfs/dbraw/zinc/91/80/72/553918072.db2.gz TUERKDHGBQBAIG-VFLNYLIXSA-N 0 0 546.863 7.834 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967428 553918589 /nfs/dbraw/zinc/91/85/89/553918589.db2.gz XMNJAQNYXCVJIG-HHHXNRCGSA-N 0 0 554.624 6.032 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967474 553918835 /nfs/dbraw/zinc/91/88/35/553918835.db2.gz BHDWKOZIZODLID-HMILPKGGSA-N 0 0 552.652 6.584 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967470 553918878 /nfs/dbraw/zinc/91/88/78/553918878.db2.gz NMQJZRQLTASKJQ-UDNBHOFDSA-N 0 0 593.680 5.853 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967487 553919359 /nfs/dbraw/zinc/91/93/59/553919359.db2.gz TWOHJPNVIDZPPN-WWOZWPLTSA-N 0 0 614.720 6.989 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967531 553919748 /nfs/dbraw/zinc/91/97/48/553919748.db2.gz FHOPAFLEIUHOSK-WRGVRERRSA-N 0 0 574.658 7.503 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967535 553919781 /nfs/dbraw/zinc/91/97/81/553919781.db2.gz CTGKVTOMPLIJOC-XGCWNURASA-N 0 0 590.698 6.338 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967663 553921487 /nfs/dbraw/zinc/92/14/87/553921487.db2.gz XWMIYMVNVLGIBN-WRHNGFHOSA-N 0 0 570.667 6.590 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967692 553921714 /nfs/dbraw/zinc/92/17/14/553921714.db2.gz VYSLINBLAANUHM-KKIUXKEOSA-N 0 0 622.674 7.129 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967701 553921829 /nfs/dbraw/zinc/92/18/29/553921829.db2.gz ZQVMHQJFPSCQQG-XGCWNURASA-N 0 0 586.666 6.045 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967678 553921855 /nfs/dbraw/zinc/92/18/55/553921855.db2.gz SYYMIMMIEKLIHB-ADXZGYQBSA-N 0 0 584.694 6.817 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967676 553921967 /nfs/dbraw/zinc/92/19/67/553921967.db2.gz DYPMEWPQOCKMHI-PLTNMMHCSA-N 0 0 604.684 7.594 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(Br)c1O ZINC000033349154 553922091 /nfs/dbraw/zinc/92/20/91/553922091.db2.gz OVHFUMJDKLPZKW-SYUAUQEVSA-N 0 0 501.446 6.490 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000033348320 553922087 /nfs/dbraw/zinc/92/20/87/553922087.db2.gz XXKUVDFBLSZHMK-GZDTXLKOSA-N 0 0 501.564 6.257 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967729 553922340 /nfs/dbraw/zinc/92/23/40/553922340.db2.gz UKTBPZRMHASWBI-XRHLQHRESA-N 0 0 620.724 6.312 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967815 553923473 /nfs/dbraw/zinc/92/34/73/553923473.db2.gz XQBAFDRHSSGQHK-QJWGWKRISA-N 0 0 604.684 6.990 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967846 553923936 /nfs/dbraw/zinc/92/39/36/553923936.db2.gz PJZQYUAPKYSNFC-OQRWROFFSA-N 0 0 574.630 6.339 50 30 KKEARN FC(F)(F)c1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000033353329 553924428 /nfs/dbraw/zinc/92/44/28/553924428.db2.gz OQBOUPIKVWUMJI-UHFFFAOYSA-N 0 0 572.228 6.378 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3cc4c(cc3Br)OCO4)nc(N3CCOCC3)n2)cc1Cl ZINC000033353374 553924804 /nfs/dbraw/zinc/92/48/04/553924804.db2.gz LUSAXEGPYRLFNU-KALUYTGESA-N 0 0 625.709 5.113 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]4c2ccco2)cc1OC ZINC000097967898 553924871 /nfs/dbraw/zinc/92/48/71/553924871.db2.gz KFJAQLDXMIMFBS-ZAPICVQLSA-N 0 0 598.019 5.719 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n21 ZINC000033353480 553925376 /nfs/dbraw/zinc/92/53/76/553925376.db2.gz SOAOWCGCXOCKSR-PEPUGYCWSA-N 0 0 561.707 5.702 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(C)cc2)cc1OC ZINC000097967947 553925439 /nfs/dbraw/zinc/92/54/39/553925439.db2.gz WJQMJIUWURXGNZ-FAAKKRKWSA-N 0 0 587.640 5.781 50 30 KKEARN FC(F)(F)C(Oc1nc(Nc2ccc(Cl)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000033353676 553926420 /nfs/dbraw/zinc/92/64/20/553926420.db2.gz HEEUNURSFFAFCS-UHFFFAOYSA-N 0 0 538.676 6.013 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097968063 553926937 /nfs/dbraw/zinc/92/69/37/553926937.db2.gz DDHHNZVGGLDFSV-PMERELPUSA-N 0 0 614.720 6.982 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1O ZINC000033353791 553927016 /nfs/dbraw/zinc/92/70/16/553927016.db2.gz VVOWUEMHDHOZEJ-RFRGJBDASA-N 0 0 553.500 7.792 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c1 ZINC000033353990 553927980 /nfs/dbraw/zinc/92/79/80/553927980.db2.gz YTOMUNBZSZBTRS-MUUNZHRXSA-N 0 0 552.627 5.733 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CCC4)[C@@H]3c3ccc(C)o3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000033354190 553928597 /nfs/dbraw/zinc/92/85/97/553928597.db2.gz XVRSLDQEWCQUQH-AQOUDTPCSA-N 0 0 628.722 5.992 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@@](F)(O[C@](F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033354449 553929706 /nfs/dbraw/zinc/92/97/06/553929706.db2.gz KXJDIALQJFVHGQ-PSASIEDQSA-N 0 0 650.079 7.260 50 30 KKEARN O=C(NCCCCNC(=O)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354471 553930070 /nfs/dbraw/zinc/93/00/70/553930070.db2.gz CINZCEAKLJWYMZ-HTQZYQBOSA-N 0 0 604.282 5.561 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000097968306 553930407 /nfs/dbraw/zinc/93/04/07/553930407.db2.gz XSQGVMIHTZRSMX-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(-c4ccccc4)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000033354841 553931538 /nfs/dbraw/zinc/93/15/38/553931538.db2.gz LFMZIQURKAOWBG-UHFFFAOYSA-N 0 0 611.767 9.002 50 30 KKEARN Cc1ccc(N(S(=O)(=O)c2nc(C)c(Cl)c(C)c2C#N)S(=O)(=O)c2nc(C)c(Cl)c(C)c2C#N)cc1Cl ZINC000033354849 553931882 /nfs/dbraw/zinc/93/18/82/553931882.db2.gz SOKFZCJLSWRIKK-UHFFFAOYSA-N 0 0 598.921 5.306 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000033354990 553932673 /nfs/dbraw/zinc/93/26/73/553932673.db2.gz CDXRSUQFAPYXKQ-KJYTXNCISA-N 0 0 652.641 6.380 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Br)cc3)n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000097968501 553932813 /nfs/dbraw/zinc/93/28/13/553932813.db2.gz KURIKOLWGCXRBP-FMFFXOCNSA-N 0 0 553.504 6.925 50 30 KKEARN CCCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000033355070 553932902 /nfs/dbraw/zinc/93/29/02/553932902.db2.gz NSSVDQKAXKUILJ-QHCPKHFHSA-N 0 0 521.489 7.624 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(N4CCOCC4)n3)o2)c(Cl)c1 ZINC000033355149 553933280 /nfs/dbraw/zinc/93/32/80/553933280.db2.gz KNYKSMRTBCTAMU-AMVVHIIESA-N 0 0 588.934 5.738 50 30 KKEARN Cc1ccc(C)c(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1 ZINC000033355190 553933454 /nfs/dbraw/zinc/93/34/54/553933454.db2.gz YQIJEBHCNZUWRF-PKMPKLLRSA-N 0 0 527.580 6.165 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C3[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000033355178 553933457 /nfs/dbraw/zinc/93/34/57/553933457.db2.gz GDWRRQJYZYAPDD-PVAZPRTOSA-N 0 0 639.546 7.689 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC ZINC000033355169 553933504 /nfs/dbraw/zinc/93/35/04/553933504.db2.gz SHAJYPQTIOLJDM-UNOMPAQXSA-N 0 0 555.821 6.145 50 30 KKEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000097968593 553933743 /nfs/dbraw/zinc/93/37/43/553933743.db2.gz FKLWLUJSDHWHHG-QPRQTZNDSA-N 0 0 550.870 6.989 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000097968596 553933772 /nfs/dbraw/zinc/93/37/72/553933772.db2.gz QVHKJYLRBXVCLE-VFPKNACXSA-N 0 0 563.651 5.604 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000097968642 553934008 /nfs/dbraw/zinc/93/40/08/553934008.db2.gz UCHLAKKVTBXTBP-PWDIZTEBSA-N 0 0 558.288 10.286 50 30 KKEARN CC(C)c1ccc(NC(=O)C(C#N)=c2sc(=Cc3cccc(Br)c3)c(=O)n2-c2ccccc2)cc1 ZINC000097968746 553934023 /nfs/dbraw/zinc/93/40/23/553934023.db2.gz PXFCPAMOWQTSTG-LPJLMIKISA-N 0 0 544.474 5.576 50 30 KKEARN N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1-c1ccccc1I ZINC000033355350 553934238 /nfs/dbraw/zinc/93/42/38/553934238.db2.gz BYOCRHHRURIQKE-UHFFFAOYSA-N 0 0 530.778 5.488 50 30 KKEARN CCOc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O ZINC000097968751 553934353 /nfs/dbraw/zinc/93/43/53/553934353.db2.gz AQWAHCYXLKGDCG-RWCITBPQSA-N 0 0 536.440 5.396 50 30 KKEARN Cc1cc(C)cc(NC(=O)C(C#N)=c2sc(=Cc3cccc(Br)c3)c(=O)n2-c2ccccc2)c1 ZINC000097968763 553934367 /nfs/dbraw/zinc/93/43/67/553934367.db2.gz MOURXNHHLXCDAD-JVUOWDJMSA-N 0 0 530.447 5.070 50 30 KKEARN CCCC[S@@](=O)C[C@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000033355421 553934681 /nfs/dbraw/zinc/93/46/81/553934681.db2.gz HKYCPOWLUUINRA-KTBRYMIGSA-N 0 0 529.525 6.052 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccc(Br)o5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000033355561 553935567 /nfs/dbraw/zinc/93/55/67/553935567.db2.gz IVBNDNBKMPZZSG-NSHDSACASA-N 0 0 671.337 7.870 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000097969008 553935729 /nfs/dbraw/zinc/93/57/29/553935729.db2.gz VYCHKRZEEVFMSZ-PMERELPUSA-N 0 0 540.660 5.047 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097969013 553935735 /nfs/dbraw/zinc/93/57/35/553935735.db2.gz PIQGRIXFJUYODH-PBUKZNKTSA-N 0 0 589.688 6.809 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969041 553935854 /nfs/dbraw/zinc/93/58/54/553935854.db2.gz JLYLVICPDVDMBV-WKRVVKTRSA-N 0 0 555.671 6.265 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969130 553936934 /nfs/dbraw/zinc/93/69/34/553936934.db2.gz NRPXHEPRIBZVTO-XGCWNURASA-N 0 0 556.640 6.200 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969206 553937729 /nfs/dbraw/zinc/93/77/29/553937729.db2.gz ZWQVZTWMCZGSOH-PLTNMMHCSA-N 0 0 628.747 7.379 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969208 553937914 /nfs/dbraw/zinc/93/79/14/553937914.db2.gz BJFITNPNICJEEC-LFPIHBKWSA-N 0 0 607.482 6.188 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969329 553939637 /nfs/dbraw/zinc/93/96/37/553939637.db2.gz CVUZUWBAMICSCG-ACSYHNTCSA-N 0 0 568.695 7.280 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969328 553939811 /nfs/dbraw/zinc/93/98/11/553939811.db2.gz CVUZUWBAMICSCG-WRONEBCDSA-N 0 0 568.695 7.280 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969330 553939836 /nfs/dbraw/zinc/93/98/36/553939836.db2.gz CVUZUWBAMICSCG-OLILMLBXSA-N 0 0 568.695 7.280 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969395 553940312 /nfs/dbraw/zinc/94/03/12/553940312.db2.gz NXKOVFJGOJPYMD-JIYROHSKSA-N 0 0 569.698 6.655 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000097969420 553940841 /nfs/dbraw/zinc/94/08/41/553940841.db2.gz SSPIQSUCYRNZMY-GDLZYMKVSA-N 0 0 548.724 5.772 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000097969409 553940847 /nfs/dbraw/zinc/94/08/47/553940847.db2.gz OFLQSTAUQGPUAC-AREMUKBSSA-N 0 0 561.506 5.781 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097969442 553941154 /nfs/dbraw/zinc/94/11/54/553941154.db2.gz KMHRSFJYRZWPMB-LJAQVGFWSA-N 0 0 542.632 5.097 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000097969500 553941633 /nfs/dbraw/zinc/94/16/33/553941633.db2.gz GECWUNJCDDKVLX-JGCGQSQUSA-N 0 0 584.713 6.267 50 30 KKEARN Cn1cccc1-c1c(C#N)c(SCC(=O)Nc2ncc(Br)cc2Br)nc2c1CSCC2 ZINC000033356481 553942019 /nfs/dbraw/zinc/94/20/19/553942019.db2.gz ZWOURXHOHNEHTG-UHFFFAOYSA-N 0 0 579.343 5.399 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000097969567 553942215 /nfs/dbraw/zinc/94/22/15/553942215.db2.gz CSVMEZQQRCCXHE-GSFXXTHYSA-N 0 0 574.762 9.054 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969579 553942687 /nfs/dbraw/zinc/94/26/87/553942687.db2.gz VNRUWBAMHCCOSQ-GHRAFVERSA-N 0 0 626.775 7.987 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000033356706 553943618 /nfs/dbraw/zinc/94/36/18/553943618.db2.gz AQEFIRHIFDMDHL-UHFFFAOYSA-N 0 0 603.384 8.655 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097969746 553944085 /nfs/dbraw/zinc/94/40/85/553944085.db2.gz YZODNSBQQHXSKD-WJOKGBTCSA-N 0 0 571.670 6.247 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969762 553944538 /nfs/dbraw/zinc/94/45/38/553944538.db2.gz YVYAOIAJNXIAIN-OLILMLBXSA-N 0 0 568.695 7.136 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969751 553944562 /nfs/dbraw/zinc/94/45/62/553944562.db2.gz HWRMOMJNZOYLFC-UZTOHYMASA-N 0 0 583.735 7.060 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969808 553944975 /nfs/dbraw/zinc/94/49/75/553944975.db2.gz XHAMUIFALSWGGX-MUUNZHRXSA-N 0 0 586.666 6.284 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969853 553946009 /nfs/dbraw/zinc/94/60/09/553946009.db2.gz PZDCVIWSIFGELU-QTEAWJPNSA-N 0 0 614.720 6.989 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969885 553946324 /nfs/dbraw/zinc/94/63/24/553946324.db2.gz XUSYBQWYCABQCX-GEFUHLBYSA-N 0 0 628.747 7.235 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969872 553946426 /nfs/dbraw/zinc/94/64/26/553946426.db2.gz MNUSBSTZCQWDBJ-MHZLTWQESA-N 0 0 570.623 5.814 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969922 553946777 /nfs/dbraw/zinc/94/67/77/553946777.db2.gz DVIDBKNAHDZCTD-GDJIYFAZSA-N 0 0 632.735 6.478 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000097969928 553946846 /nfs/dbraw/zinc/94/68/46/553946846.db2.gz MAZROMVDRLFRFJ-PNQUVVCRSA-N 0 0 581.308 8.488 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969985 553947825 /nfs/dbraw/zinc/94/78/25/553947825.db2.gz QYCCUQNGZKWEFR-XFSFLGPDSA-N 0 0 642.774 7.769 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969979 553947835 /nfs/dbraw/zinc/94/78/35/553947835.db2.gz BBOKVUNJXFWJAH-HZAQMHFWSA-N 0 0 614.720 6.989 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000097970015 553948091 /nfs/dbraw/zinc/94/80/91/553948091.db2.gz BYDHMMQIFBWTPU-IIMAJNMQSA-N 0 0 582.722 7.444 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970065 553948919 /nfs/dbraw/zinc/94/89/19/553948919.db2.gz ODYGJAOXOGXNQP-CPJLOUKISA-N 0 0 590.654 5.308 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970073 553949039 /nfs/dbraw/zinc/94/90/39/553949039.db2.gz ANSKROOFOOKZOM-SONOPUAISA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970110 553949512 /nfs/dbraw/zinc/94/95/12/553949512.db2.gz RRQDENMUZHVNLS-WEZXKFLESA-N 0 0 653.156 8.034 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970117 553949925 /nfs/dbraw/zinc/94/99/25/553949925.db2.gz WKGOUMMXCRKLTE-WZQKQDCOSA-N 0 0 588.638 5.437 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970140 553950098 /nfs/dbraw/zinc/95/00/98/553950098.db2.gz PJJNQLWZNIOHEE-MHZLTWQESA-N 0 0 570.623 5.814 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970155 553950332 /nfs/dbraw/zinc/95/03/32/553950332.db2.gz JZYLIHHAJMSMOA-SANMLTNESA-N 0 0 556.596 5.424 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970207 553950858 /nfs/dbraw/zinc/95/08/58/553950858.db2.gz TZUOXWWBQWPETP-KATKFWMUSA-N 0 0 632.738 7.689 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970187 553950881 /nfs/dbraw/zinc/95/08/81/553950881.db2.gz SYQFAILTFXIMJH-XBBWARJSSA-N 0 0 584.694 6.980 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970184 553950911 /nfs/dbraw/zinc/95/09/11/553950911.db2.gz SYQFAILTFXIMJH-ADXZGYQBSA-N 0 0 584.694 6.980 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970230 553951207 /nfs/dbraw/zinc/95/12/07/553951207.db2.gz LTNACNCZOCISHR-WJOKGBTCSA-N 0 0 595.652 5.301 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970239 553951316 /nfs/dbraw/zinc/95/13/16/553951316.db2.gz XTJQPWARTJMKPI-HZAQMHFWSA-N 0 0 609.103 7.635 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970254 553951769 /nfs/dbraw/zinc/95/17/69/553951769.db2.gz NYVFOLBPVSZCDS-HZAQMHFWSA-N 0 0 633.166 8.024 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970309 553952399 /nfs/dbraw/zinc/95/23/99/553952399.db2.gz YIWDSJGZLXQJHD-HFJWLAOPSA-N 0 0 590.698 6.304 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970320 553952452 /nfs/dbraw/zinc/95/24/52/553952452.db2.gz RSYQNEDZBUBQHZ-IIMAJNMQSA-N 0 0 582.722 7.588 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970326 553952465 /nfs/dbraw/zinc/95/24/65/553952465.db2.gz LTAASBYYFKPCPE-HZAQMHFWSA-N 0 0 624.715 6.738 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970341 553952964 /nfs/dbraw/zinc/95/29/64/553952964.db2.gz YGFVAOPRVQZHCY-CRYYWNKWSA-N 0 0 554.668 6.709 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970377 553953224 /nfs/dbraw/zinc/95/32/24/553953224.db2.gz WDHRFKZKIHCXDL-MYUZEXMDSA-N 0 0 618.708 6.088 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970373 553953393 /nfs/dbraw/zinc/95/33/93/553953393.db2.gz HGPSLNGYSRVAEG-DWXRJYCRSA-N 0 0 588.682 6.080 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097970398 553953825 /nfs/dbraw/zinc/95/38/25/553953825.db2.gz DFQRKEUPRRUXJU-GHRAFVERSA-N 0 0 576.649 6.161 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970436 553954076 /nfs/dbraw/zinc/95/40/76/553954076.db2.gz PPYUXVQQZAKLRR-BZQUYTCOSA-N 0 0 621.509 6.496 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970437 553954095 /nfs/dbraw/zinc/95/40/95/553954095.db2.gz GJLGCSMHCYNFFS-MUUNZHRXSA-N 0 0 586.666 6.428 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000033358305 553954534 /nfs/dbraw/zinc/95/45/34/553954534.db2.gz PHMFJMUZBXXCIB-JMQGSBJISA-N 0 0 565.022 6.214 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970470 553954635 /nfs/dbraw/zinc/95/46/35/553954635.db2.gz IBOQZXDXKMPDEA-CLYVBNDRSA-N 0 0 618.180 7.714 50 30 KKEARN O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000033358350 553954830 /nfs/dbraw/zinc/95/48/30/553954830.db2.gz NKTRQDOTYLTLPR-BQPAJTCCSA-N 0 0 606.420 6.357 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970545 553955537 /nfs/dbraw/zinc/95/55/37/553955537.db2.gz BATUKNKMXGSKIR-NGOKVRLYSA-N 0 0 597.762 7.369 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000033358447 553955795 /nfs/dbraw/zinc/95/57/95/553955795.db2.gz KHTSBBCEXSDIDZ-WOPWWUTRSA-N 0 0 554.687 7.193 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970602 553956281 /nfs/dbraw/zinc/95/62/81/553956281.db2.gz LQEAFIDGTJGIRF-QTEAWJPNSA-N 0 0 614.720 6.989 50 30 KKEARN COc1ccc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Br)cc3)C(=O)N2c2cccc(O)c2)cc1OC ZINC000097970598 553956303 /nfs/dbraw/zinc/95/63/03/553956303.db2.gz QPUDXEDHDSMYPK-GKNVEZOISA-N 0 0 583.464 5.039 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000033358543 553956565 /nfs/dbraw/zinc/95/65/65/553956565.db2.gz IBPCDTXODGFPRU-OFJZKOHLSA-N 0 0 666.825 5.926 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000033358533 553956579 /nfs/dbraw/zinc/95/65/79/553956579.db2.gz DPDCDUURDPXDPT-KUSDHMTMSA-N 0 0 603.725 5.448 50 30 KKEARN Cc1cc(/C=C2\CN(C)C/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000033401459 553958693 /nfs/dbraw/zinc/95/86/93/553958693.db2.gz HFKAYPFNGLUGIN-DHSSLTKXSA-N 0 0 531.744 7.717 50 30 KKEARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097971196 553961380 /nfs/dbraw/zinc/96/13/80/553961380.db2.gz LZOXXCUXBZTBSU-QAYXVNIHSA-N 0 0 591.733 7.136 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000033660746 553966776 /nfs/dbraw/zinc/96/67/76/553966776.db2.gz IANLMMSZNQCCOB-WFIHMLKPSA-N 0 0 519.711 6.806 50 30 KKEARN Cc1ccc(/N=C2/S/C(=C/c3ccccc3OCC(=O)N3CCOCC3)C(=O)N2Cc2ccccc2)cc1 ZINC000033745418 553971862 /nfs/dbraw/zinc/97/18/62/553971862.db2.gz ZGUXMERUQCTZGT-VDHWCBMGSA-N 0 0 527.646 5.037 50 30 KKEARN CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)NCCCCCCCCCC)ccc1-2 ZINC000097976962 553973721 /nfs/dbraw/zinc/97/37/21/553973721.db2.gz NADYQYYBBYHPAP-UHFFFAOYSA-N 0 0 709.035 9.370 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097977058 553974027 /nfs/dbraw/zinc/97/40/27/553974027.db2.gz FXYSUBUUWQUMAN-QGZVFWFLSA-N 0 0 521.769 7.233 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097977070 553974035 /nfs/dbraw/zinc/97/40/35/553974035.db2.gz DRTZLJPQKXGWTM-OAQYLSRUSA-N 0 0 634.883 8.091 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097977060 553974078 /nfs/dbraw/zinc/97/40/78/553974078.db2.gz WMGHZALJFSPQOB-QGZVFWFLSA-N 0 0 521.769 7.233 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000033930678 553977107 /nfs/dbraw/zinc/97/71/07/553977107.db2.gz AVGGARYPVPEIMQ-ROERJRBBSA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000097979221 553977265 /nfs/dbraw/zinc/97/72/65/553977265.db2.gz RBQCTQGEJPHGDE-UHFFFAOYSA-N 0 0 713.680 5.989 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000033930698 553977382 /nfs/dbraw/zinc/97/73/82/553977382.db2.gz XDGRXALBRZJGSD-PJIRNLIGSA-N 0 0 510.030 6.061 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3 ZINC000097979323 553978054 /nfs/dbraw/zinc/97/80/54/553978054.db2.gz PDENXDZAAHIBOT-ITYLOYPMSA-N 0 0 541.742 6.689 50 30 KKEARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979330 553978474 /nfs/dbraw/zinc/97/84/74/553978474.db2.gz SFGMFWRPZMQEQY-UHFFFAOYSA-N 0 0 561.733 5.261 50 30 KKEARN N#Cc1ccsc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000097979605 553980837 /nfs/dbraw/zinc/98/08/37/553980837.db2.gz GBAVCIZSJJAUIP-AQTBWJFISA-N 0 0 524.558 5.749 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000097979760 553981967 /nfs/dbraw/zinc/98/19/67/553981967.db2.gz PKDROEJXCRZZQG-YUMHPJSZSA-N 0 0 540.092 7.042 50 30 KKEARN CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2/C=C/C(=O)c2cc3ccccc3o2)ccc1Cl ZINC000097980387 553988082 /nfs/dbraw/zinc/98/80/82/553988082.db2.gz XOILMTHQQWNQFZ-JQIJEIRASA-N 0 0 538.021 6.232 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097983017 554006921 /nfs/dbraw/zinc/00/69/21/554006921.db2.gz UBRMKNZZSWNKHJ-RUZDIDTESA-N 0 0 565.095 9.047 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000097983031 554007181 /nfs/dbraw/zinc/00/71/81/554007181.db2.gz YHTBPLXFGAIPIH-AREMUKBSSA-N 0 0 595.121 9.056 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097983040 554007189 /nfs/dbraw/zinc/00/71/89/554007189.db2.gz XWAVRCMUTVDRCE-VWLOTQADSA-N 0 0 643.991 9.810 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000097983037 554007206 /nfs/dbraw/zinc/00/72/06/554007206.db2.gz WZQQBHUIOZQUOV-RUZDIDTESA-N 0 0 633.985 10.354 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000097983038 554007231 /nfs/dbraw/zinc/00/72/31/554007231.db2.gz WZQQBHUIOZQUOV-VWLOTQADSA-N 0 0 633.985 10.354 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000097983052 554007258 /nfs/dbraw/zinc/00/72/58/554007258.db2.gz BAYNLLSNFONNNG-VWLOTQADSA-N 0 0 633.092 10.066 50 30 KKEARN CCCCCCCCC(=O)Oc1cc2c3ccccc3c(=O)c3ccc4c5ccc6c(=O)c7ccccc7c7cc(OC(=O)CCCCCCCC)c(c1c4c32)c5c67 ZINC000097983133 554007714 /nfs/dbraw/zinc/00/77/14/554007714.db2.gz QAIYYTKXMCCFQB-UHFFFAOYSA-N 0 0 768.950 13.258 50 30 KKEARN O=S(=O)(CS(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097983523 554010032 /nfs/dbraw/zinc/01/00/32/554010032.db2.gz KSVJLIIUJXJOHC-UHFFFAOYSA-N 0 0 804.309 6.520 50 30 KKEARN CCCCCCCCOc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c1 ZINC000097983742 554011236 /nfs/dbraw/zinc/01/12/36/554011236.db2.gz MTOQHVHFRHQXHB-UHFFFAOYSA-N 0 0 540.682 6.253 50 30 KKEARN CCC(C)(C)c1ccc(OCCCC(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CCC2)c(C(C)(C)CC)c1 ZINC000097983798 554011932 /nfs/dbraw/zinc/01/19/32/554011932.db2.gz KPMNHDWWJKLQJN-UHFFFAOYSA-N 0 0 567.748 8.429 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@](=O)(Nc1ccc(Br)cc1)N(C(C)C)C(C)C ZINC000097984275 554015328 /nfs/dbraw/zinc/01/53/28/554015328.db2.gz KTOCSYMSMOQFKP-QNGWXLTQSA-N 0 0 650.356 6.932 50 30 KKEARN CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864673 554022033 /nfs/dbraw/zinc/02/20/33/554022033.db2.gz VAEZLCHCFUMAGF-PLXITOTLSA-N 0 0 500.595 6.167 50 30 KKEARN COc1cccc(CO[C@@H](CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c2ccc(Cl)cc2)c1 ZINC000034915614 554029920 /nfs/dbraw/zinc/02/99/20/554029920.db2.gz ASFIUMJQZLBETJ-NDEPHWFRSA-N 0 0 519.045 5.522 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000097993297 554030881 /nfs/dbraw/zinc/03/08/81/554030881.db2.gz HKHNUDRVFKDBKM-UHFFFAOYSA-N 0 0 624.508 6.603 50 30 KKEARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)NC1=NN=C(c2ccc(Br)cc2)CS1 ZINC000097995362 554034157 /nfs/dbraw/zinc/03/41/57/554034157.db2.gz FAZXJVFOKYKQJM-QGZVFWFLSA-N 0 0 540.472 5.603 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000097995376 554034495 /nfs/dbraw/zinc/03/44/95/554034495.db2.gz SOKSWAGKEBIVSF-NDEPHWFRSA-N 0 0 545.676 5.984 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(C(=O)OCCCCCCCCCC)cc2)c4=O)cc1 ZINC000097996155 554038344 /nfs/dbraw/zinc/03/83/44/554038344.db2.gz XQMFCOMAZVZIHI-UHFFFAOYSA-N 0 0 736.906 8.486 50 30 KKEARN CCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000097997030 554039207 /nfs/dbraw/zinc/03/92/07/554039207.db2.gz LREFQLFQMIDGEE-QNEJGDQOSA-N 0 0 536.738 7.254 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000097997751 554040179 /nfs/dbraw/zinc/04/01/79/554040179.db2.gz PTAFYRCTYJOQDV-LJAQVGFWSA-N 0 0 522.730 6.275 50 30 biogenic KKEARN CCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)Cc1ccccc1 ZINC000097997750 554040195 /nfs/dbraw/zinc/04/01/95/554040195.db2.gz PTAFYRCTYJOQDV-GDLZYMKVSA-N 0 0 522.730 6.275 50 30 biogenic KKEARN CCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCCC)cc3)cc2)cc1 ZINC000097997849 554040817 /nfs/dbraw/zinc/04/08/17/554040817.db2.gz SHNFDLMEVBLWLL-UHFFFAOYSA-N 0 0 570.814 10.835 50 30 biogenic KKEARN CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(-c4ccc(CCCCCCCC)cc4)cc3)OC2=O)cc1 ZINC000097997904 554041092 /nfs/dbraw/zinc/04/10/92/554041092.db2.gz GSCZOFSLDAHMPQ-JTHRFTPNSA-N 0 0 565.798 10.340 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000097999651 554045025 /nfs/dbraw/zinc/04/50/25/554045025.db2.gz WOGUDUCWUZWKQH-RBBQXQBVSA-N 0 0 593.079 7.350 50 30 KKEARN CSCC[C@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000097999698 554045386 /nfs/dbraw/zinc/04/53/86/554045386.db2.gz YBMGXGGVFKRIEM-WJOKGBTCSA-N 0 0 610.739 7.098 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999754 554045565 /nfs/dbraw/zinc/04/55/65/554045565.db2.gz IPAUTQWAMCBSTQ-VFHLRKMQSA-N 0 0 665.230 9.273 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999753 554045650 /nfs/dbraw/zinc/04/56/50/554045650.db2.gz IPAUTQWAMCBSTQ-RWBZGNMBSA-N 0 0 665.230 9.273 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097999794 554045899 /nfs/dbraw/zinc/04/58/99/554045899.db2.gz RTCUDCAEILXUHW-QHKNHCAJSA-N 0 0 775.298 9.567 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000097999770 554045956 /nfs/dbraw/zinc/04/59/56/554045956.db2.gz LGMMQDNXRHFURG-OJVJLOJWSA-N 0 0 663.258 10.107 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999833 554046169 /nfs/dbraw/zinc/04/61/69/554046169.db2.gz FQAVNYLSQUPLDZ-KWXDVARASA-N 0 0 607.150 8.547 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000097999943 554047148 /nfs/dbraw/zinc/04/71/48/554047148.db2.gz RTWCOTOMJPDXRE-WTGRHJARSA-N 0 0 596.506 8.187 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000098000106 554048443 /nfs/dbraw/zinc/04/84/43/554048443.db2.gz RYQGGUMQJQZXPO-PMERELPUSA-N 0 0 559.839 9.827 50 30 KKEARN COc1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1OC ZINC000098000166 554048954 /nfs/dbraw/zinc/04/89/54/554048954.db2.gz ZYBUWRFKULWIBK-UHFFFAOYSA-N 0 0 573.818 9.195 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000098000301 554049876 /nfs/dbraw/zinc/04/98/76/554049876.db2.gz QMERTYJTNFDTKD-VWLRAHFJSA-N 0 0 570.733 8.136 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC(=O)Nc1ccccc1I ZINC000098001173 554051496 /nfs/dbraw/zinc/05/14/96/554051496.db2.gz NGUSIDOQHKDODD-UHFFFAOYSA-N 0 0 626.317 7.385 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)OCCCS(=O)(=O)CCCCCCCCCC ZINC000098001435 554052534 /nfs/dbraw/zinc/05/25/34/554052534.db2.gz CFKCKSPQAOWKGC-UHFFFAOYSA-N 0 0 502.846 8.957 50 30 biogenic KKEARN COc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(Nc3ccccc3)n2)cc1 ZINC000098001381 554052602 /nfs/dbraw/zinc/05/26/02/554052602.db2.gz GAJKPCIHGAXAQL-LGJNPRDNSA-N 0 0 679.260 5.728 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4c(C)cccc4C)sc3c2)cc1 ZINC000098002671 554053932 /nfs/dbraw/zinc/05/39/32/554053932.db2.gz UASGDZKTXREOMH-UHFFFAOYSA-N 0 0 603.854 9.416 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003667 554055685 /nfs/dbraw/zinc/05/56/85/554055685.db2.gz BGHHKUPZFVNSFJ-CZTRJMPPSA-N 0 0 634.748 8.363 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003666 554055772 /nfs/dbraw/zinc/05/57/72/554055772.db2.gz BGHHKUPZFVNSFJ-MUVVOIGYSA-N 0 0 634.748 8.363 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000098003659 554055818 /nfs/dbraw/zinc/05/58/18/554055818.db2.gz GJXYXYIKCCJUQX-WOPWWUTRSA-N 0 0 681.538 9.434 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000098003660 554055839 /nfs/dbraw/zinc/05/58/39/554055839.db2.gz GJXYXYIKCCJUQX-PBUKZNKTSA-N 0 0 681.538 9.434 50 30 KKEARN CCCCCCCCCOC(=O)CSc1nc(SCC(=O)OCCCCCCCCC)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000098005111 554056778 /nfs/dbraw/zinc/05/67/78/554056778.db2.gz UTULFIIKLQASHR-UHFFFAOYSA-N 0 0 680.981 10.113 50 30 KKEARN COc1c(I)cc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1I ZINC000098005784 554058557 /nfs/dbraw/zinc/05/85/57/554058557.db2.gz GWYNVHKLSRZFCS-QFIPXVFZSA-N 0 0 647.254 6.426 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CC(C)(C)C2 ZINC000098006058 554060493 /nfs/dbraw/zinc/06/04/93/554060493.db2.gz OXHCVJIZDMHOAK-HXUWFJFHSA-N 0 0 557.663 7.321 50 30 KKEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000098006202 554060819 /nfs/dbraw/zinc/06/08/19/554060819.db2.gz CNLQLTWFSZAHKD-KRWDZBQOSA-N 0 0 527.027 5.920 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098006278 554061022 /nfs/dbraw/zinc/06/10/22/554061022.db2.gz DYERUMMJJAHZNI-IBGZPJMESA-N 0 0 588.633 6.921 50 30 KKEARN Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sc(C(=O)Nc3ccc4ccccc4c3)c(N)c21 ZINC000035677981 554062878 /nfs/dbraw/zinc/06/28/78/554062878.db2.gz AEJBAOSXINBILK-UHFFFAOYSA-N 0 0 501.427 6.882 50 30 KKEARN Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sc3c(ncn(-c4ccc([N+](=O)[O-])cc4)c3=O)c21 ZINC000035678009 554062910 /nfs/dbraw/zinc/06/29/10/554062910.db2.gz YTWWUZUMGGYSAR-UHFFFAOYSA-N 0 0 506.359 5.501 50 30 KKEARN COc1ccc2c(c1)c(CC(=O)Nc1cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000098007393 554063821 /nfs/dbraw/zinc/06/38/21/554063821.db2.gz GQTYYPBMQQBIMF-LJAQVGFWSA-N 0 0 630.959 8.752 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc32)cc1 ZINC000098007398 554063879 /nfs/dbraw/zinc/06/38/79/554063879.db2.gz QVRFLFVHXPVBOE-UHFFFAOYSA-N 0 0 561.122 8.221 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007902 554064829 /nfs/dbraw/zinc/06/48/29/554064829.db2.gz QAWYUOCVJHAAAT-DGUDUIIESA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OC)c(OC)c1 ZINC000098008074 554065912 /nfs/dbraw/zinc/06/59/12/554065912.db2.gz OUNDFELVMRRYNS-CZBREUMFSA-N 0 0 549.620 5.615 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OC)c(OC)c1 ZINC000098008076 554065968 /nfs/dbraw/zinc/06/59/68/554065968.db2.gz OUNDFELVMRRYNS-GTNJKRJXSA-N 0 0 549.620 5.615 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000098008136 554066236 /nfs/dbraw/zinc/06/62/36/554066236.db2.gz VEPZMNCWWJAIOU-GTNJKRJXSA-N 0 0 579.646 5.624 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008116 554066290 /nfs/dbraw/zinc/06/62/90/554066290.db2.gz CYJRWCWVWDZWNL-OSOCVKALSA-N 0 0 583.584 6.206 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008142 554066635 /nfs/dbraw/zinc/06/66/35/554066635.db2.gz ZAJWTCVYOYMZJC-OSOCVKALSA-N 0 0 569.601 6.486 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008204 554066989 /nfs/dbraw/zinc/06/69/89/554066989.db2.gz BYGMAEJJPWIKOR-DGUDUIIESA-N 0 0 584.572 6.386 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nnc1-c1ccccc1[N+](=O)[O-] ZINC000098010720 554073778 /nfs/dbraw/zinc/07/37/78/554073778.db2.gz GIWOAMAARXWCHD-UHFFFAOYSA-N 0 0 553.566 6.280 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)C1CCCCC1 ZINC000098016933 554104686 /nfs/dbraw/zinc/10/46/86/554104686.db2.gz PHEVOTDNLOLZIA-UHFFFAOYSA-N 0 0 505.128 7.099 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)[C@H](C)c1ccccc1 ZINC000098016935 554104750 /nfs/dbraw/zinc/10/47/50/554104750.db2.gz GEKHSUSQZMCHEA-HSZRJFAPSA-N 0 0 506.716 7.183 50 30 KKEARN CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1ccc(C#N)cc1 ZINC000098017148 554106319 /nfs/dbraw/zinc/10/63/19/554106319.db2.gz JFXPUYKYUAVSGZ-UHFFFAOYSA-N 0 0 534.682 5.461 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098017980 554111719 /nfs/dbraw/zinc/11/17/19/554111719.db2.gz UHCZBHWLXKZRPR-UHFFFAOYSA-N 0 0 572.083 5.535 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000035973759 554114891 /nfs/dbraw/zinc/11/48/91/554114891.db2.gz MHANWIIDIMKKSF-AMAWMVDHSA-N 0 0 503.595 5.324 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)C[C@H](C)CC(C)(C)C ZINC000098019985 554116018 /nfs/dbraw/zinc/11/60/18/554116018.db2.gz IVHYITDBPWFAJQ-NRFANRHFSA-N 0 0 581.109 6.181 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1ccc(Br)cc1 ZINC000098019997 554116028 /nfs/dbraw/zinc/11/60/28/554116028.db2.gz GZSIYSLIXWKQOH-UHFFFAOYSA-N 0 0 559.460 5.721 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000035981313 554117844 /nfs/dbraw/zinc/11/78/44/554117844.db2.gz AKAYTSNDHHNYMC-NNCILOIOSA-N 0 0 510.030 6.061 50 30 KKEARN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000098043005 554123755 /nfs/dbraw/zinc/12/37/55/554123755.db2.gz ZGODZVPCLVUBJT-UHFFFAOYSA-N 0 0 534.085 5.429 50 30 KKEARN C=CCc1cccc([C@@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccccc2I)c1O ZINC000098043766 554128622 /nfs/dbraw/zinc/12/86/22/554128622.db2.gz ISIBFXMHQPOLQW-JOCHJYFZSA-N 0 0 651.242 5.241 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000098044511 554128958 /nfs/dbraw/zinc/12/89/58/554128958.db2.gz AKZIPLUCSFNIMD-JOCHJYFZSA-N 0 0 601.910 6.863 50 30 KKEARN CCCCCCCCCCCCCC(=O)NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O ZINC000098044725 554129445 /nfs/dbraw/zinc/12/94/45/554129445.db2.gz SYPLDGLZCPQOGQ-UHFFFAOYSA-N 0 0 507.675 6.005 50 30 KKEARN C=CCc1ccc(OCC)c(CP2(=O)CN(c3ccc(C)cc3)CP(=O)(Cc3cc(CC=C)ccc3OCC)CN(c3ccc(C)cc3)C2)c1 ZINC000098044743 554129546 /nfs/dbraw/zinc/12/95/46/554129546.db2.gz WYNDCRFGEZEVKH-UHFFFAOYSA-N 0 0 710.836 10.841 50 30 KKEARN CC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000098044778 554129773 /nfs/dbraw/zinc/12/97/73/554129773.db2.gz JIRCDYQYBAAUKL-URAOTHONSA-N 0 0 533.499 8.211 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098044784 554129780 /nfs/dbraw/zinc/12/97/80/554129780.db2.gz VEFVRZXZTMQWTN-CZZIKKGSSA-N 0 0 571.721 7.756 50 30 KKEARN CCCCCCCCNc1ccc(NC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000098045030 554130254 /nfs/dbraw/zinc/13/02/54/554130254.db2.gz VFCJUQDWBMQUCA-UHFFFAOYSA-N 0 0 600.803 9.886 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000098045102 554130669 /nfs/dbraw/zinc/13/06/69/554130669.db2.gz OCCIWBOBEZQMLM-UGDMGKLASA-N 0 0 539.462 8.204 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(=O)C3[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000098045244 554131316 /nfs/dbraw/zinc/13/13/16/554131316.db2.gz MVQGIUXJCBTBCJ-YUYWZBKDSA-N 0 0 653.573 7.998 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000098045531 554132222 /nfs/dbraw/zinc/13/22/22/554132222.db2.gz RFSHKVGKTAATEB-KGMZSHBCSA-N 0 0 662.545 8.764 50 30 KKEARN COC1=C(OC)C(=O)C(C)C(=CC=C(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000014960640 561748479 /nfs/dbraw/zinc/74/84/79/561748479.db2.gz GXNFPEOUKFOTKY-LPHQIWJTSA-N 0 0 590.889 10.948 50 30 endogenous,in-man KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098045748 554133454 /nfs/dbraw/zinc/13/34/54/554133454.db2.gz HPXMIFLMXDATSC-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000098046035 554135273 /nfs/dbraw/zinc/13/52/73/554135273.db2.gz XRYUPUOZOLRYHU-MUUNZHRXSA-N 0 0 557.002 6.114 50 30 KKEARN FC(F)Oc1ccc(-c2nn(-c3nc(C4CC4)cc(C(F)(F)F)n3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1 ZINC000098046092 554135824 /nfs/dbraw/zinc/13/58/24/554135824.db2.gz DWUCBEMHSZKRHT-UHFFFAOYSA-N 0 0 572.868 7.749 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2ccc(C(=O)OCC)cc2)C(=O)Nc2ccc(C(=O)OCC)cc2)c(C)c1 ZINC000098046333 554137972 /nfs/dbraw/zinc/13/79/72/554137972.db2.gz VYINQUBJKFRNTC-UHFFFAOYSA-N 0 0 698.776 7.427 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046480 554139428 /nfs/dbraw/zinc/13/94/28/554139428.db2.gz MYTDSCTUSDNYFN-MUUNZHRXSA-N 0 0 617.768 8.055 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000098046587 554141105 /nfs/dbraw/zinc/14/11/05/554141105.db2.gz JEVKWNXPRIJJAZ-OAQYLSRUSA-N 0 0 524.323 5.281 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000098046595 554141116 /nfs/dbraw/zinc/14/11/16/554141116.db2.gz NALZYYJPWYCAKE-MHZLTWQESA-N 0 0 553.039 7.312 50 30 KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(Cl)c(Cl)c3)oc21 ZINC000098046628 554141661 /nfs/dbraw/zinc/14/16/61/554141661.db2.gz UTOAOKOSBDWUFK-QHCPKHFHSA-N 0 0 545.419 5.049 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046674 554142264 /nfs/dbraw/zinc/14/22/64/554142264.db2.gz YPJLVMIFGKAENO-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046675 554142273 /nfs/dbraw/zinc/14/22/73/554142273.db2.gz HMIJEMRUCHMAQH-MUUNZHRXSA-N 0 0 586.486 6.202 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046667 554142304 /nfs/dbraw/zinc/14/23/04/554142304.db2.gz NDZRBTZSUMVPGL-SSEXGKCCSA-N 0 0 540.660 5.183 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046682 554142489 /nfs/dbraw/zinc/14/24/89/554142489.db2.gz VGXSYUZFQVISCA-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)c3ccc(Br)cc3)n2)ccc1OCCC(C)C ZINC000098046906 554144841 /nfs/dbraw/zinc/14/48/41/554144841.db2.gz WPXDMKAARSICAO-UHFFFAOYSA-N 0 0 577.466 8.110 50 30 KKEARN C=CCn1c(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031231 554144993 /nfs/dbraw/zinc/14/49/93/554144993.db2.gz HBIQAPDZFIBOEB-UHFFFAOYSA-N 0 0 504.439 5.155 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000098047041 554146182 /nfs/dbraw/zinc/14/61/82/554146182.db2.gz HRMRBOWVMKDRLR-HKBQPEDESA-N 0 0 570.686 5.877 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCC)c(F)c1 ZINC000098047066 554146372 /nfs/dbraw/zinc/14/63/72/554146372.db2.gz YDOHTEBQZCHTDK-UHFFFAOYSA-N 0 0 571.649 6.160 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037840 554146445 /nfs/dbraw/zinc/14/64/45/554146445.db2.gz LTEHNDVSJMKXCI-FOVJLYNBSA-N 0 0 523.651 5.251 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037395 554146472 /nfs/dbraw/zinc/14/64/72/554146472.db2.gz FPXVCADOXPZNIF-FOVJLYNBSA-N 0 0 523.651 5.251 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccccc1 ZINC000036040464 554149255 /nfs/dbraw/zinc/14/92/55/554149255.db2.gz AIAWNAAZFBYXAH-UHFFFAOYSA-N 0 0 503.546 5.039 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000098047687 554154421 /nfs/dbraw/zinc/15/44/21/554154421.db2.gz NQWROGBZDQLMPB-JOCHJYFZSA-N 0 0 536.850 5.895 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000036049631 554155689 /nfs/dbraw/zinc/15/56/89/554155689.db2.gz LRDKWUCLPAVKMY-UHFFFAOYSA-N 0 0 505.405 6.113 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000098047845 554156583 /nfs/dbraw/zinc/15/65/83/554156583.db2.gz VENHRUMRZMUKQF-JOCHJYFZSA-N 0 0 540.366 5.100 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(C)c1)C(=O)c1ccc(Cl)cc1 ZINC000036052048 554157988 /nfs/dbraw/zinc/15/79/88/554157988.db2.gz WPAYLOZREBQWOM-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1cccs1 ZINC000036052529 554158449 /nfs/dbraw/zinc/15/84/49/554158449.db2.gz OLAXZDRKFRJHLG-UHFFFAOYSA-N 0 0 507.015 5.530 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048033 554158869 /nfs/dbraw/zinc/15/88/69/554158869.db2.gz LDIYODTUFLGRMW-DLUDVSRJSA-N 0 0 546.576 5.646 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048047 554159172 /nfs/dbraw/zinc/15/91/72/554159172.db2.gz XHOUYEFJMAJKSB-KWMCUTETSA-N 0 0 572.658 6.967 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048054 554159213 /nfs/dbraw/zinc/15/92/13/554159213.db2.gz GSRJQQLWQPBHII-BZQUYTCOSA-N 0 0 530.577 5.940 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@@H](c2ccc(Cl)cc2)N2CCCCC2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000098048184 554160196 /nfs/dbraw/zinc/16/01/96/554160196.db2.gz PRYWGYKBWHPMHY-AHKZPQOWSA-N 0 0 553.461 6.938 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050110 554172055 /nfs/dbraw/zinc/17/20/55/554172055.db2.gz KMLZQBLESGYYQZ-MHZLTWQESA-N 0 0 553.571 5.305 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C(C(=O)CCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098050120 554172383 /nfs/dbraw/zinc/17/23/83/554172383.db2.gz DNGZNMUCYUBHJI-NDEPHWFRSA-N 0 0 599.640 5.602 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000098050520 554175245 /nfs/dbraw/zinc/17/52/45/554175245.db2.gz PSRLELQWFWOOED-UHFFFAOYSA-N 0 0 570.472 6.146 50 30 KKEARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccccc1C#N ZINC000098087030 554176576 /nfs/dbraw/zinc/17/65/76/554176576.db2.gz WOEOXZVJKOJFPH-RHANQZHGSA-N 0 0 520.610 6.926 50 30 KKEARN COc1cc(OC)c(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1Br ZINC000100004664 554177808 /nfs/dbraw/zinc/17/78/08/554177808.db2.gz MFMFHJWWBHEFLL-NRFANRHFSA-N 0 0 507.421 5.326 50 30 KKEARN Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C)c(I)c3)cc2)cc1I ZINC000100003970 554177811 /nfs/dbraw/zinc/17/78/11/554177811.db2.gz MRDRWHKTHQIPOW-BKHCZYBLSA-N 0 0 564.208 7.014 50 30 KKEARN CCn1c2ccccc2c2cc(/C=N/c3ccc(-c4ccc(/N=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21 ZINC000100008846 554180373 /nfs/dbraw/zinc/18/03/73/554180373.db2.gz QIFQNJJPXXELOM-GCQSSKKOSA-N 0 0 594.762 11.110 50 30 KKEARN CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000100010790 554180972 /nfs/dbraw/zinc/18/09/72/554180972.db2.gz RLYANTSRYXOALQ-UHFFFAOYSA-N 0 0 604.555 12.540 50 30 KKEARN CC(C)(C)c1cc(/C=N/[C@@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000100017547 554181580 /nfs/dbraw/zinc/18/15/80/554181580.db2.gz FYNXDGNCEBQLGC-PZHGTCLVSA-N 0 0 546.840 9.137 50 30 KKEARN C(#Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1 ZINC000100026387 554183577 /nfs/dbraw/zinc/18/35/77/554183577.db2.gz PYMVHNKBULZKHK-ROIZXALESA-N 0 0 560.700 9.654 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000100026361 554183588 /nfs/dbraw/zinc/18/35/88/554183588.db2.gz UUPGAGLAHYQFKZ-QLTSDVKISA-N 0 0 511.662 8.130 50 30 KKEARN O=C(Oc1c(Br)cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1Br)c1ccccc1 ZINC000100032914 554187161 /nfs/dbraw/zinc/18/71/61/554187161.db2.gz UBCCWDGGTRKEEO-HCHSGZHCSA-N 0 0 563.249 8.597 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000100049677 554194326 /nfs/dbraw/zinc/19/43/26/554194326.db2.gz FXUIOZUTRYXCQX-NNSZVUBOSA-N 0 0 561.490 8.390 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000100050861 554194607 /nfs/dbraw/zinc/19/46/07/554194607.db2.gz UDVIVSCMZQLZQL-UHFFFAOYSA-N 0 0 614.445 10.102 50 30 KKEARN CCCCCCCCN(CCCCCCCC)c1ccc(/N=N/c2ccc(C(=O)C(F)(F)F)cc2)cc1 ZINC000100052933 554195089 /nfs/dbraw/zinc/19/50/89/554195089.db2.gz LSDDSJZBINXBKD-XAHDOWKMSA-N 0 0 517.680 10.374 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3c(O)ccc4ccccc43)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100057642 554197095 /nfs/dbraw/zinc/19/70/95/554197095.db2.gz OXSJCAFJRUCKSE-FZPRHHONSA-N 0 0 559.672 8.536 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3s2)c(C)c1 ZINC000100058190 554197314 /nfs/dbraw/zinc/19/73/14/554197314.db2.gz RNHKMPRCGAWSOQ-KUVSIYKGSA-N 0 0 570.696 8.260 50 30 KKEARN Cc1ccc(NC(=O)N2CCS[C@]23c2cc(Cl)ccc2N(Cc2cccc(C#N)c2)C3=O)cc1C ZINC000036163969 554199521 /nfs/dbraw/zinc/19/95/21/554199521.db2.gz NPWCVNGVYKESOI-MHZLTWQESA-N 0 0 503.027 5.809 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000100064581 554199563 /nfs/dbraw/zinc/19/95/63/554199563.db2.gz YLZMCDSZKIIFOW-DMBRDCDQSA-N 0 0 573.089 8.492 50 30 KKEARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(C(C)C)cc1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164153 554199803 /nfs/dbraw/zinc/19/98/03/554199803.db2.gz GXLCMDKLOMTVAX-GDLZYMKVSA-N 0 0 512.635 5.671 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(C)c3C)c3ccccc32)cc1 ZINC000100066826 554200000 /nfs/dbraw/zinc/20/00/00/554200000.db2.gz RZRBGEGSAUNCPA-RJAFERDYSA-N 0 0 512.609 6.265 50 30 KKEARN CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3O)c2)cc1 ZINC000100073717 554203098 /nfs/dbraw/zinc/20/30/98/554203098.db2.gz CHNGKMOOLRNSDY-ALQBTCKLSA-N 0 0 575.934 8.699 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000036245400 554209965 /nfs/dbraw/zinc/20/99/65/554209965.db2.gz GDCOFMOQTFZTES-MPVBVHJXSA-N 0 0 520.654 7.387 50 30 KKEARN C=CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036304410 554214246 /nfs/dbraw/zinc/21/42/46/554214246.db2.gz WFYPVULOLFNFKO-DEOSSOPVSA-N 0 0 503.599 5.140 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100099260 554219546 /nfs/dbraw/zinc/21/95/46/554219546.db2.gz HQVVKJRPZUHMDY-KAOZPYIUSA-N 0 0 521.854 6.482 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100107070 554220844 /nfs/dbraw/zinc/22/08/44/554220844.db2.gz BHIVQWMVVKHTBD-HFJFZZAHSA-N 0 0 560.022 6.066 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000100110668 554221581 /nfs/dbraw/zinc/22/15/81/554221581.db2.gz SDHGRTAWHXXHCG-FSPSLNBNSA-N 0 0 522.788 6.142 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100110962 554221869 /nfs/dbraw/zinc/22/18/69/554221869.db2.gz RNVNMPYEMTUIRB-BGAXNTTKSA-N 0 0 584.859 7.322 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000100116385 554223823 /nfs/dbraw/zinc/22/38/23/554223823.db2.gz HKJRVVTUXLVZJG-HXGGSSIYSA-N 0 0 546.806 7.844 50 30 KKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccc(Br)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000100126670 554225087 /nfs/dbraw/zinc/22/50/87/554225087.db2.gz QUVUGUSTPMQGHY-UHFFFAOYSA-N 0 0 525.838 5.431 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 ZINC000036553493 554225191 /nfs/dbraw/zinc/22/51/91/554225191.db2.gz HHGVDNGTBOKVHB-XRHWURSXSA-N 0 0 519.553 5.631 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1CNC=C1C(=O)CC(c2ccc(F)cc2)CC1=O ZINC000100138956 554227251 /nfs/dbraw/zinc/22/72/51/554227251.db2.gz QMPJPXZFEKBLKM-OHMHCFLMSA-N 0 0 566.460 6.453 50 30 KKEARN CCCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100140059 554227362 /nfs/dbraw/zinc/22/73/62/554227362.db2.gz YMRHZSNLPDRNMH-UHFFFAOYSA-N 0 0 520.673 6.957 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000100141999 554228146 /nfs/dbraw/zinc/22/81/46/554228146.db2.gz QQFWVDUPIOHYTC-OLILMLBXSA-N 0 0 529.423 7.801 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100142513 554228844 /nfs/dbraw/zinc/22/88/44/554228844.db2.gz UJGKVOLGPZQMGH-CALDVZBHSA-N 0 0 566.079 6.076 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100142488 554228902 /nfs/dbraw/zinc/22/89/02/554228902.db2.gz QPKQNCFOXJVCML-UCSRTCPSSA-N 0 0 566.035 5.406 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2OC)cc1 ZINC000100143004 554229190 /nfs/dbraw/zinc/22/91/90/554229190.db2.gz TZQBKHSQDKKAEH-GEFUHLBYSA-N 0 0 535.600 6.903 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144668 554230006 /nfs/dbraw/zinc/23/00/06/554230006.db2.gz NAKUWEVUNLESSZ-FPVUOMKESA-N 0 0 564.107 6.337 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144658 554230160 /nfs/dbraw/zinc/23/01/60/554230160.db2.gz BKOUDUVIUCUAQQ-FWDQTVHGSA-N 0 0 608.116 5.896 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151373 554231560 /nfs/dbraw/zinc/23/15/60/554231560.db2.gz JYEVRVAMUHBXDT-RZDMPUFOSA-N 0 0 584.644 5.362 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100152191 554232060 /nfs/dbraw/zinc/23/20/60/554232060.db2.gz PZCUADRAEPAXCY-FPNNDXFKSA-N 0 0 619.089 6.015 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2CCC(c2ccccc2)c2ccccc2)cc1 ZINC000100154037 554232577 /nfs/dbraw/zinc/23/25/77/554232577.db2.gz MSDRXAIYGCYTQH-HJYNKWJXSA-N 0 0 549.696 6.878 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159855 554234038 /nfs/dbraw/zinc/23/40/38/554234038.db2.gz PDZSQQKWVWWDPD-DIUWLVJMSA-N 0 0 562.515 6.549 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000100160313 554234353 /nfs/dbraw/zinc/23/43/53/554234353.db2.gz KNLOUNUTRYARCH-UCGXPXSYSA-N 0 0 624.587 5.600 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000100160662 554234645 /nfs/dbraw/zinc/23/46/45/554234645.db2.gz JSLFCUFWBINBPF-KKVCJECGSA-N 0 0 602.634 5.501 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000100160508 554234668 /nfs/dbraw/zinc/23/46/68/554234668.db2.gz SFZAADYGRHRXBF-HDYLNDSGSA-N 0 0 624.587 5.600 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100161380 554234953 /nfs/dbraw/zinc/23/49/53/554234953.db2.gz CYSJGGVBZSTLOC-JASJMPGSSA-N 0 0 544.051 7.229 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100160808 554234963 /nfs/dbraw/zinc/23/49/63/554234963.db2.gz LPZWASJGDVNTTC-ZKMPZPQNSA-N 0 0 594.561 5.592 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000100162454 554235610 /nfs/dbraw/zinc/23/56/10/554235610.db2.gz SFBIGGSKRXCZBG-LGPLSSKUSA-N 0 0 624.587 5.600 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C ZINC000100165506 554236507 /nfs/dbraw/zinc/23/65/07/554236507.db2.gz LZJJHYYMFSRZPM-YZYVYVMMSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4coc5ccc(Cl)cc5c4=O)C(=O)O3)cc2)cc1 ZINC000100166168 554236808 /nfs/dbraw/zinc/23/68/08/554236808.db2.gz MDUZIXWGUXFHCI-CEUNXORHSA-N 0 0 540.059 8.361 50 30 biogenic KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100167048 554237073 /nfs/dbraw/zinc/23/70/73/554237073.db2.gz FWPNIMJEROQPPR-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1F ZINC000100167077 554237115 /nfs/dbraw/zinc/23/71/15/554237115.db2.gz BMZNRWWLPXKQBZ-FCCLLSDDSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100167082 554237132 /nfs/dbraw/zinc/23/71/32/554237132.db2.gz GJPIJANXYSRHNW-VTFFUMFSSA-N 0 0 574.762 9.054 50 30 KKEARN N#Cc1ccccc1COC(=O)c1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1Cl ZINC000100167814 554237664 /nfs/dbraw/zinc/23/76/64/554237664.db2.gz CMBLMTAHRGDBSM-WGARJPEWSA-N 0 0 537.984 5.599 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100171852 554238271 /nfs/dbraw/zinc/23/82/71/554238271.db2.gz XQSQYAFSDNMTTM-IEZKXTBUSA-N 0 0 577.102 5.929 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000100171870 554238299 /nfs/dbraw/zinc/23/82/99/554238299.db2.gz JUZBEWOKLQXTOU-VEXUSMLFSA-N 0 0 611.547 6.582 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100171890 554238547 /nfs/dbraw/zinc/23/85/47/554238547.db2.gz IYTLBCKHWHYGJS-AYCKEJKLSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172887 554239003 /nfs/dbraw/zinc/23/90/03/554239003.db2.gz YCLXLRHBBSQOFU-BTZRARBUSA-N 0 0 623.634 5.462 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172929 554239316 /nfs/dbraw/zinc/23/93/16/554239316.db2.gz INORCXNPXLUGOT-RFLWCCGPSA-N 0 0 619.671 5.631 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100172910 554239328 /nfs/dbraw/zinc/23/93/28/554239328.db2.gz UASSYQUYVCHVDY-OUIFVKKZSA-N 0 0 619.671 5.631 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100172897 554239378 /nfs/dbraw/zinc/23/93/78/554239378.db2.gz SCIJCACZXIIDNH-GVXSCFBNSA-N 0 0 622.099 5.837 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccs1 ZINC000100173516 554239575 /nfs/dbraw/zinc/23/95/75/554239575.db2.gz MZQITWVNWNYJCH-QFZRFWILSA-N 0 0 612.626 5.523 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100173011 554239624 /nfs/dbraw/zinc/23/96/24/554239624.db2.gz RRSHAESVOXJHLJ-IEZKXTBUSA-N 0 0 578.637 5.554 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1ccco1 ZINC000037397485 554239986 /nfs/dbraw/zinc/23/99/86/554239986.db2.gz LPOJUHZKCGDUON-UHFFFAOYSA-N 0 0 503.603 5.118 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100176216 554240645 /nfs/dbraw/zinc/24/06/45/554240645.db2.gz ZIRGECIWPQAGCC-BTZRARBUSA-N 0 0 613.082 6.207 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc([N+](=O)[O-])ccc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100177199 554240896 /nfs/dbraw/zinc/24/08/96/554240896.db2.gz WLPDTSDGFIQIHW-YMSRPXOMSA-N 0 0 619.671 5.631 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Br)cc1 ZINC000100183709 554242243 /nfs/dbraw/zinc/24/22/43/554242243.db2.gz XDEOJAJPLXXYKA-UHFFFAOYSA-N 0 0 575.056 7.915 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)C1 ZINC000100183912 554242576 /nfs/dbraw/zinc/24/25/76/554242576.db2.gz UFGXJKOBKMSMSG-RWRHWQIFSA-N 0 0 592.726 10.005 50 30 KKEARN CC/N=C1\S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N1CC ZINC000100203459 554247231 /nfs/dbraw/zinc/24/72/31/554247231.db2.gz KPRKUYDJCGNYHO-KBYIAWMASA-N 0 0 538.511 6.748 50 30 KKEARN C[C@]1(O)CC(N=Nc2ccccc2)[C@H](C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000100208002 554248277 /nfs/dbraw/zinc/24/82/77/554248277.db2.gz ZLIAJLSHRXEVHA-MQLROWIWSA-N 0 0 607.663 6.020 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000100214435 554249742 /nfs/dbraw/zinc/24/97/42/554249742.db2.gz BQVBTGYZOLHUHK-LKIAPMPTSA-N 0 0 517.607 5.032 50 30 KKEARN C=CCc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(OC)c1OCc1ccccc1C#N ZINC000100215063 554249782 /nfs/dbraw/zinc/24/97/82/554249782.db2.gz UIZSQYHIRJDKLY-NDEPHWFRSA-N 0 0 532.596 5.616 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000100215031 554249786 /nfs/dbraw/zinc/24/97/86/554249786.db2.gz IIOZDKKEHXOSQN-DEOSSOPVSA-N 0 0 561.388 5.678 50 30 KKEARN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100215363 554250155 /nfs/dbraw/zinc/25/01/55/554250155.db2.gz ZSOWUYDPUROSCY-SANMLTNESA-N 0 0 550.438 6.713 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217488 554251208 /nfs/dbraw/zinc/25/12/08/554251208.db2.gz HTPVQBYDRHVWJB-CALDVZBHSA-N 0 0 566.079 5.728 50 30 KKEARN COc1ccc(CCNC2=C(C(NC(=O)C3CCCCC3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1OC ZINC000100229040 554254488 /nfs/dbraw/zinc/25/44/88/554254488.db2.gz SEAQJCHDXAIVBP-UHFFFAOYSA-N 0 0 578.594 6.039 50 30 KKEARN COc1ccc(CCNC2=C(C(NC(=O)Cc3ccccc3)(C(F)(F)F)C(F)(F)F)C(=O)CC(C)(C)C2)cc1OC ZINC000100229042 554254641 /nfs/dbraw/zinc/25/46/41/554254641.db2.gz QKAHTLCNHOIBMN-UHFFFAOYSA-N 0 0 586.573 5.701 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)n1 ZINC000037604068 554255423 /nfs/dbraw/zinc/25/54/23/554255423.db2.gz DRKSKEBKWSKOKO-HHHXNRCGSA-N 0 0 507.631 5.297 50 30 KKEARN CCOc1cc(/C=C2/CC/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000100230032 554255564 /nfs/dbraw/zinc/25/55/64/554255564.db2.gz DCAZMXMOMXKECI-XFQWXJFMSA-N 0 0 566.286 6.856 50 30 KKEARN CCOc1cc(/C=C2\CC/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000100230030 554255626 /nfs/dbraw/zinc/25/56/26/554255626.db2.gz DCAZMXMOMXKECI-BUOZRGFLSA-N 0 0 566.286 6.856 50 30 KKEARN CCCCCCCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C(=O)OCCCC)cc2)cc1 ZINC000100240021 554260000 /nfs/dbraw/zinc/26/00/00/554260000.db2.gz WYAVHENVMNSABE-UHFFFAOYSA-N 0 0 569.706 5.812 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100249272 554262036 /nfs/dbraw/zinc/26/20/36/554262036.db2.gz WBJBEEPFEYGHFF-MOWOTRKXSA-N 0 0 563.676 5.314 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000100260136 554265245 /nfs/dbraw/zinc/26/52/45/554265245.db2.gz KPCHOAUDCRXJNB-WUGSENQOSA-N 0 0 537.479 6.969 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)NC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000038143156 554265450 /nfs/dbraw/zinc/26/54/50/554265450.db2.gz GLZQVYDFXUECNY-DEOSSOPVSA-O 0 0 509.689 5.439 50 30 in-vitro KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=N)S1 ZINC000100268241 554268205 /nfs/dbraw/zinc/26/82/05/554268205.db2.gz JEVFYMUDMHDXPZ-JJEISAMFSA-N 0 0 543.693 6.709 50 30 KKEARN O=C1/C(=C\c2cccn2-c2ccc(I)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100275788 554272475 /nfs/dbraw/zinc/27/24/75/554272475.db2.gz DDZHSFGKQMNMHC-DCPLYQDGSA-N 0 0 547.421 6.891 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100281088 554276633 /nfs/dbraw/zinc/27/66/33/554276633.db2.gz WIULCUSJHMEVLJ-JVEWKGNHSA-N 0 0 538.025 5.296 50 30 KKEARN COc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100286219 554280575 /nfs/dbraw/zinc/28/05/75/554280575.db2.gz GWJJHKARVPFBIU-QLELHQPMSA-N 0 0 529.552 5.557 50 30 KKEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(OCCCCCCCCCC)cc1 ZINC000100286541 554280591 /nfs/dbraw/zinc/28/05/91/554280591.db2.gz GILMGUNDHGINQY-UHFFFAOYSA-N 0 0 512.764 7.192 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1C(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000040400062 554284419 /nfs/dbraw/zinc/28/44/19/554284419.db2.gz NDIBMUKOKALFHW-UHFFFAOYSA-N 0 0 520.482 5.882 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3nccs3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000040486473 554287023 /nfs/dbraw/zinc/28/70/23/554287023.db2.gz URSHWDCZGCOZOW-UHFFFAOYSA-N 0 0 515.620 5.377 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000100307305 554295746 /nfs/dbraw/zinc/29/57/46/554295746.db2.gz KHHIGOKHZWQCEZ-LMQTZDNFSA-N 0 0 557.594 5.926 50 30 KKEARN C=C1CN(Cc2ccccc2)C(=O)[C@@]12CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000043762968 554299619 /nfs/dbraw/zinc/29/96/19/554299619.db2.gz QTWDJWDXVIDLGI-UZNNEEJFSA-N 0 0 515.653 6.512 50 30 KKEARN CCOC(=O)[C@H](S)Cc1ccc(OC[C@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1 ZINC000044126499 554301265 /nfs/dbraw/zinc/30/12/65/554301265.db2.gz QZUSUWOXZPFSTN-NSJVFKKDSA-N 0 0 534.718 6.758 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000044459992 554302051 /nfs/dbraw/zinc/30/20/51/554302051.db2.gz LOIMSBNQCOCWBD-BMWXWXOGSA-N 0 0 685.220 9.541 50 30 KKEARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1C#N ZINC000100319260 554303849 /nfs/dbraw/zinc/30/38/49/554303849.db2.gz BFVVGAIGKPVVOC-LFVJCYFKSA-N 0 0 500.396 6.486 50 30 KKEARN CCOc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000044858989 554306055 /nfs/dbraw/zinc/30/60/55/554306055.db2.gz ZJYKDKNOBQXJLM-XMMPIXPASA-N 0 0 501.543 5.100 50 30 KKEARN COc1cc(C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049538702 554323412 /nfs/dbraw/zinc/32/34/12/554323412.db2.gz VTRIMMOZIZQPDE-ULJHMMPZSA-N 0 0 506.558 6.805 50 30 KKEARN O=C(/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@H]21)COc1cccc(C(F)(F)F)c1 ZINC000100342169 554327035 /nfs/dbraw/zinc/32/70/35/554327035.db2.gz FLEHAOYBYPJWKG-GHKMTKAXSA-N 0 0 550.529 6.054 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918057 554327098 /nfs/dbraw/zinc/32/70/98/554327098.db2.gz SXKFJWGUZMQKMG-ZOYWYXQUSA-N 0 0 546.598 6.827 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c(C#N)c1-c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000053277217 554330615 /nfs/dbraw/zinc/33/06/15/554330615.db2.gz BRWVPXPULACYGL-UHFFFAOYSA-N 0 0 557.591 6.884 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000053277255 554330654 /nfs/dbraw/zinc/33/06/54/554330654.db2.gz RGGSMSBYXUDQNK-UHFFFAOYSA-N 0 0 544.592 5.735 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000053262032 554330667 /nfs/dbraw/zinc/33/06/67/554330667.db2.gz SJBYNNBZRQSUQG-NHOCJEJCSA-N 0 0 562.666 7.271 50 30 KKEARN N#Cc1c(N)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c1-c1ccc(Br)cc1 ZINC000053277295 554330902 /nfs/dbraw/zinc/33/09/02/554330902.db2.gz UJDXMJAQBPURGS-UHFFFAOYSA-N 0 0 528.229 5.755 50 30 KKEARN COc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3nc(N)c2C#N)cc1OC ZINC000053277299 554330923 /nfs/dbraw/zinc/33/09/23/554330923.db2.gz XUIYGMJXKDFAFZ-UHFFFAOYSA-N 0 0 524.400 5.031 50 30 KKEARN N#Cc1c(N)nc(-c2ccc(Br)cc2)cc1-c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000053277535 554330907 /nfs/dbraw/zinc/33/09/07/554330907.db2.gz HOCBAKFEPMRLRQ-UHFFFAOYSA-N 0 0 544.365 5.558 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(C#N)c1-c1ccccc1 ZINC000053277275 554330982 /nfs/dbraw/zinc/33/09/82/554330982.db2.gz PBSIHGGILYUBGI-UHFFFAOYSA-N 0 0 526.046 6.649 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000053291487 554332069 /nfs/dbraw/zinc/33/20/69/554332069.db2.gz BPVJXRQALKVANQ-VWLOTQADSA-N 0 0 526.416 6.106 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053305807 554332746 /nfs/dbraw/zinc/33/27/46/554332746.db2.gz PYEUIRYLLVTZGS-OWJWWREXSA-N 0 0 527.558 5.619 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306227 554333516 /nfs/dbraw/zinc/33/35/16/554333516.db2.gz VALIIMDUQMYYMM-QFIPXVFZSA-N 0 0 535.419 6.159 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053306160 554333680 /nfs/dbraw/zinc/33/36/80/554333680.db2.gz LKPHAFWZNUZHDZ-HSZRJFAPSA-N 0 0 549.446 6.467 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306660 554334439 /nfs/dbraw/zinc/33/44/39/554334439.db2.gz KUNFFFTYTVZEEV-QHCPKHFHSA-N 0 0 549.446 6.549 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000053306953 554334743 /nfs/dbraw/zinc/33/47/43/554334743.db2.gz FDGMZIFQGVDEFR-VWLOTQADSA-N 0 0 535.438 6.110 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Br)cc1 ZINC000053307671 554335450 /nfs/dbraw/zinc/33/54/50/554335450.db2.gz GYBOOIGZHWCERQ-FQEVSTJZSA-N 0 0 545.231 5.077 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053308202 554335759 /nfs/dbraw/zinc/33/57/59/554335759.db2.gz LONZMDPPOQOGLT-JOCHJYFZSA-N 0 0 535.419 6.159 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000053319176 554336518 /nfs/dbraw/zinc/33/65/18/554336518.db2.gz LYGJLDLTAADZJH-SANMLTNESA-N 0 0 528.630 6.610 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319207 554336556 /nfs/dbraw/zinc/33/65/56/554336556.db2.gz LAHRGAFGRSZDDW-JOCHJYFZSA-N 0 0 535.419 6.159 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000053319197 554336565 /nfs/dbraw/zinc/33/65/65/554336565.db2.gz TZVUNXAVIKZLQW-MHZLTWQESA-N 0 0 540.641 6.591 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000053319187 554336597 /nfs/dbraw/zinc/33/65/97/554336597.db2.gz UAUPIITZAUFBIS-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000053319248 554336890 /nfs/dbraw/zinc/33/68/90/554336890.db2.gz LAPSBVORNIXTLS-URNDWHGUSA-N 0 0 556.706 8.207 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000100356270 554337156 /nfs/dbraw/zinc/33/71/56/554337156.db2.gz KWDNBJDUJQLZBM-LMQTZDNFSA-N 0 0 541.595 6.225 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053319447 554338223 /nfs/dbraw/zinc/33/82/23/554338223.db2.gz AIEXQUWTZBIGOD-NPMXOYFQSA-N 0 0 532.618 5.468 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000053332068 554338579 /nfs/dbraw/zinc/33/85/79/554338579.db2.gz QDKWPZAMUKLLLI-NLGDKJDOSA-N 0 0 529.596 7.118 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)cc1OC ZINC000053319531 554338581 /nfs/dbraw/zinc/33/85/81/554338581.db2.gz MSUDICAHFRGZSR-WCLOKENTSA-N 0 0 567.379 5.491 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053332805 554338910 /nfs/dbraw/zinc/33/89/10/554338910.db2.gz PHIHAWPJGVEINL-OSPAZUARSA-N 0 0 565.113 8.606 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053332812 554339039 /nfs/dbraw/zinc/33/90/39/554339039.db2.gz PHIHAWPJGVEINL-JXSYCYSGSA-N 0 0 565.113 8.606 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053333588 554339771 /nfs/dbraw/zinc/33/97/71/554339771.db2.gz HBUNGEMVEMRKAO-DXPJPUQTSA-N 0 0 572.639 5.737 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053333867 554339846 /nfs/dbraw/zinc/33/98/46/554339846.db2.gz ZQVMHQJFPSCQQG-CRYYWNKWSA-N 0 0 586.666 6.045 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053334472 554340140 /nfs/dbraw/zinc/34/01/40/554340140.db2.gz ZVPXPEVPTJNXID-SANMLTNESA-N 0 0 526.614 6.282 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053334363 554340276 /nfs/dbraw/zinc/34/02/76/554340276.db2.gz GYCCKGAWHAJPDB-QMTYFTJSSA-N 0 0 570.623 5.588 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053334752 554340321 /nfs/dbraw/zinc/34/03/21/554340321.db2.gz XYXOGNMJLCCZBV-XDBZFTIUSA-N 0 0 580.662 6.339 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335098 554340788 /nfs/dbraw/zinc/34/07/88/554340788.db2.gz QMGXVMABECFHJD-GDJIYFAZSA-N 0 0 554.668 6.890 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053335982 554341533 /nfs/dbraw/zinc/34/15/33/554341533.db2.gz FPIFOBFPDCFIKZ-VWLOTQADSA-N 0 0 528.586 5.476 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000053336492 554341752 /nfs/dbraw/zinc/34/17/52/554341752.db2.gz JXZXLTNFENXDMS-YRVHBCJASA-N 0 0 595.076 7.848 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337697 554342442 /nfs/dbraw/zinc/34/24/42/554342442.db2.gz FNTFVSBOFIHCPI-MHZLTWQESA-N 0 0 556.640 6.256 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338499 554342787 /nfs/dbraw/zinc/34/27/87/554342787.db2.gz OZCGVPFPLKUTKR-DNOBIOAJSA-N 0 0 540.641 6.418 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053339596 554343626 /nfs/dbraw/zinc/34/36/26/554343626.db2.gz WKHDPUCKQSJOJS-WOPWWUTRSA-N 0 0 585.531 8.951 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053340095 554343933 /nfs/dbraw/zinc/34/39/33/554343933.db2.gz SWURJMMSXFHDAF-VWLOTQADSA-N 0 0 528.586 5.558 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Br)c1O ZINC000053354695 554344654 /nfs/dbraw/zinc/34/46/54/554344654.db2.gz KXVLSZFRRBZWIB-DLUDVSRJSA-N 0 0 525.830 6.796 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000053359615 554344979 /nfs/dbraw/zinc/34/49/79/554344979.db2.gz RZVXFMYOFMTGIN-QCBOHVIISA-N 0 0 579.096 7.880 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000053359639 554345295 /nfs/dbraw/zinc/34/52/95/554345295.db2.gz IBKWWBSFNCQSPU-GPNASLBKSA-N 0 0 540.635 7.093 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000053360245 554345443 /nfs/dbraw/zinc/34/54/43/554345443.db2.gz XMAQMILMHKFXBF-GDJIYFAZSA-N 0 0 533.466 7.144 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000100375299 554359464 /nfs/dbraw/zinc/35/94/64/554359464.db2.gz KJEZTVNYFVISGP-UHFFFAOYSA-N 0 0 611.566 7.301 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000100375491 554359941 /nfs/dbraw/zinc/35/99/41/554359941.db2.gz QMLZCTDHMPDBLA-UHFFFAOYSA-N 0 0 621.572 6.839 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)F)cc1)C(N=Nc1ccc(C(F)(F)F)cc1)=NNc1ccc(C(F)(F)F)cc1 ZINC000100409103 554374445 /nfs/dbraw/zinc/37/44/45/554374445.db2.gz CWEZVAPZAUGIRN-MQDLUKILSA-N 0 0 563.380 7.771 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000100416252 554383388 /nfs/dbraw/zinc/38/33/88/554383388.db2.gz YCGGLFNWRQRLQW-HKBQPEDESA-N 0 0 596.708 8.426 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000059222162 554385820 /nfs/dbraw/zinc/38/58/20/554385820.db2.gz QZKUERXHTHNGOQ-WPWMEQJKSA-N 0 0 526.387 5.998 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100436984 554393106 /nfs/dbraw/zinc/39/31/06/554393106.db2.gz AGCGDCGSEDMMEU-YRTRXXDYSA-N 0 0 518.682 8.356 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000059503708 554399596 /nfs/dbraw/zinc/39/95/96/554399596.db2.gz MYXNPEARLSWFIL-QFIPXVFZSA-N 0 0 560.583 6.823 50 30 KKEARN Fc1c(OCC(F)(F)C(F)F)nc(OCC(F)(F)C(F)F)c(F)c1OCC(F)(F)C(F)F ZINC000100473055 554399762 /nfs/dbraw/zinc/39/97/62/554399762.db2.gz CGBGNILEDAAKPL-UHFFFAOYSA-N 0 0 505.202 5.197 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccccc2Br)c1)c1ccccc1 ZINC000059503727 554399914 /nfs/dbraw/zinc/39/99/14/554399914.db2.gz PIYPOGJAGDTASM-NOZRDPDXSA-N 0 0 623.551 6.320 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(Br)c2)cc1OC ZINC000059503783 554400158 /nfs/dbraw/zinc/40/01/58/554400158.db2.gz DLBFHNPVNVPFLP-SMSORMJASA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000059503784 554400195 /nfs/dbraw/zinc/40/01/95/554400195.db2.gz DLBFHNPVNVPFLP-CHJDUVSTSA-N 0 0 587.514 6.775 50 30 KKEARN CCOc1ccc2cc(/C=C/C(=O)c3c(C)nc4ccc(Br)cc4c3-c3ccccc3)c(=O)[nH]c2c1 ZINC000100488817 554402693 /nfs/dbraw/zinc/40/26/93/554402693.db2.gz XCDVTWBOGLSKHR-GXDHUFHOSA-N 0 0 539.429 7.109 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(C)ccc1C ZINC000059524771 554405881 /nfs/dbraw/zinc/40/58/81/554405881.db2.gz CVMVXFNZQNBTEN-UDNBHOFDSA-N 0 0 552.671 6.330 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000059603019 554409302 /nfs/dbraw/zinc/40/93/02/554409302.db2.gz FVXLBLQUPPLQDO-RUZDIDTESA-N 0 0 549.697 5.196 50 30 KKEARN COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc(NCc3ccco3)[nH]2)cc1 ZINC000100527632 554410196 /nfs/dbraw/zinc/41/01/96/554410196.db2.gz CYKQRJSFDZAZDM-LQKURTRISA-N 0 0 526.513 5.443 50 30 KKEARN COc1ccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000059616704 554413022 /nfs/dbraw/zinc/41/30/22/554413022.db2.gz AKUABKGMPOEYSP-UHFFFAOYSA-N 0 0 542.676 6.028 50 30 KKEARN C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)ccc1Cl ZINC000100540914 554413115 /nfs/dbraw/zinc/41/31/15/554413115.db2.gz HHGSEFZYKRQLQS-XSFVSMFZSA-N 0 0 514.887 6.768 50 30 KKEARN C=CCn1c(S[C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000059616974 554413326 /nfs/dbraw/zinc/41/33/26/554413326.db2.gz WQCLSFRKUWHAEC-XMMPIXPASA-N 0 0 542.621 5.801 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000059620917 554414562 /nfs/dbraw/zinc/41/45/62/554414562.db2.gz REUKUKDNBKXSOG-LPYGGDLBSA-N 0 0 547.648 5.186 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000100550389 554414623 /nfs/dbraw/zinc/41/46/23/554414623.db2.gz OZXDNXAHLNPMSE-AREMUKBSSA-N 0 0 560.492 6.138 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1coc2ccccc2c1=O ZINC000100550632 554414626 /nfs/dbraw/zinc/41/46/26/554414626.db2.gz NTRWZYNDDHPIKG-MNAQKMTRSA-N 0 0 592.648 5.819 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100550808 554414672 /nfs/dbraw/zinc/41/46/72/554414672.db2.gz QLBKATVESTXVBE-KPURRNSFSA-N 0 0 548.466 6.977 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100552181 554415086 /nfs/dbraw/zinc/41/50/86/554415086.db2.gz KGUWVOXEWIEIMH-WKRVVKTRSA-N 0 0 618.524 6.450 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100554144 554415767 /nfs/dbraw/zinc/41/57/67/554415767.db2.gz BRWMYAQOLLRRQX-ZTOMLWHTSA-N 0 0 568.066 5.605 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100556766 554416354 /nfs/dbraw/zinc/41/63/54/554416354.db2.gz ZBZIWEHLDQVTOK-XYFQYJLHSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557289 554416714 /nfs/dbraw/zinc/41/67/14/554416714.db2.gz VJUKUZJRVPGNJL-CBZJRKILSA-N 0 0 540.443 6.570 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557429 554416717 /nfs/dbraw/zinc/41/67/17/554416717.db2.gz WZXFVRSYNRSROX-ZTOMLWHTSA-N 0 0 530.020 6.029 50 30 KKEARN CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059641070 554416762 /nfs/dbraw/zinc/41/67/62/554416762.db2.gz QAGIXCRBQCTUHQ-NDEPHWFRSA-N 0 0 549.502 7.908 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100558084 554416832 /nfs/dbraw/zinc/41/68/32/554416832.db2.gz OBICSDQEKAZEQJ-GPNASLBKSA-N 0 0 569.654 5.783 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100559256 554417507 /nfs/dbraw/zinc/41/75/07/554417507.db2.gz CHOIIYMVGMMRQX-IADCTJSHSA-N 0 0 558.472 6.563 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100561553 554418093 /nfs/dbraw/zinc/41/80/93/554418093.db2.gz ZRPPTSWNJVOPLN-SYBRLPANSA-N 0 0 551.683 6.835 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000100561788 554418400 /nfs/dbraw/zinc/41/84/00/554418400.db2.gz VASDZXMKSPFRGD-OOOSNSGVSA-N 0 0 586.128 7.488 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100562445 554418720 /nfs/dbraw/zinc/41/87/20/554418720.db2.gz LQNXCHSXPRFQIS-WXTAPIANSA-N 0 0 588.926 6.768 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100567845 554420692 /nfs/dbraw/zinc/42/06/92/554420692.db2.gz PTZOLHBIXMMYEV-CLYVBNDRSA-N 0 0 550.449 6.025 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100575821 554423080 /nfs/dbraw/zinc/42/30/80/554423080.db2.gz GQVXBPXINIRPHX-GKVSMKOHSA-N 0 0 530.448 6.411 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100576004 554423318 /nfs/dbraw/zinc/42/33/18/554423318.db2.gz VFNCMGGDZGDMLW-WXTAPIANSA-N 0 0 604.925 6.148 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100575996 554423399 /nfs/dbraw/zinc/42/33/99/554423399.db2.gz XAVFYYQPVQSXFY-CLYVBNDRSA-N 0 0 600.937 7.054 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000100575928 554423406 /nfs/dbraw/zinc/42/34/06/554423406.db2.gz SWVPUIXWWBFFLM-CRICUBBOSA-N 0 0 562.515 6.366 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100575994 554423425 /nfs/dbraw/zinc/42/34/25/554423425.db2.gz XAVFYYQPVQSXFY-MYUZEXMDSA-N 0 0 600.937 7.054 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000100576025 554423451 /nfs/dbraw/zinc/42/34/51/554423451.db2.gz IAZBIUXATMFCNK-NGOKVRLYSA-N 0 0 536.068 6.682 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100581537 554425076 /nfs/dbraw/zinc/42/50/76/554425076.db2.gz MDOUEPTWXUHIKX-HRFSGMKKSA-N 0 0 542.097 6.015 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)c1 ZINC000100583696 554425648 /nfs/dbraw/zinc/42/56/48/554425648.db2.gz KRFGBPLQVWNKIG-NDEPHWFRSA-N 0 0 535.625 6.037 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000059706225 554425691 /nfs/dbraw/zinc/42/56/91/554425691.db2.gz ZBWHRGVLIAAWEL-PIKZIKFNSA-N 0 0 538.040 5.835 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)cc1 ZINC000100583684 554425836 /nfs/dbraw/zinc/42/58/36/554425836.db2.gz UQKPYERPZDHLOW-HHHXNRCGSA-N 0 0 505.599 6.029 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000059706310 554425924 /nfs/dbraw/zinc/42/59/24/554425924.db2.gz MREUJAHYIJDZSX-YKGWIAGDSA-N 0 0 618.524 6.537 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000059706356 554425955 /nfs/dbraw/zinc/42/59/55/554425955.db2.gz UWMCGBAKKJNBSY-QXNWPYRLSA-N 0 0 553.655 5.860 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000059706322 554425968 /nfs/dbraw/zinc/42/59/68/554425968.db2.gz ZZEZBNKOVMGPCS-OOOSNSGVSA-N 0 0 551.683 6.632 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000059706463 554426323 /nfs/dbraw/zinc/42/63/23/554426323.db2.gz LJLUPPHKPCITIX-CHJDUVSTSA-N 0 0 578.492 6.986 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100587943 554427008 /nfs/dbraw/zinc/42/70/08/554427008.db2.gz IQROCLREFYPGKN-ADXZGYQBSA-N 0 0 626.544 6.331 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100588130 554427431 /nfs/dbraw/zinc/42/74/31/554427431.db2.gz DVXQFFXGHIFFFJ-QLXKLKPCSA-N 0 0 586.479 5.495 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000059749585 554427908 /nfs/dbraw/zinc/42/79/08/554427908.db2.gz UIXAIGOOPJWJLQ-HNNXBMFYSA-N 0 0 562.479 5.169 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100588285 554427923 /nfs/dbraw/zinc/42/79/23/554427923.db2.gz SBEUCRHWCYCDOV-DNOBIOAJSA-N 0 0 600.506 5.798 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588305 554428021 /nfs/dbraw/zinc/42/80/21/554428021.db2.gz RDPGDHVHHQKNHS-IVCQMTBJSA-N 0 0 572.452 5.105 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C ZINC000059758368 554428133 /nfs/dbraw/zinc/42/81/33/554428133.db2.gz XKNBWZPORBCEHI-QHCPKHFHSA-N 0 0 546.722 5.754 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000100593187 554429162 /nfs/dbraw/zinc/42/91/62/554429162.db2.gz IZQMHXCMOYJBFD-WLMPYFOXSA-N 0 0 615.726 7.388 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000100593189 554429228 /nfs/dbraw/zinc/42/92/28/554429228.db2.gz IZQMHXCMOYJBFD-LUPQGNFSSA-N 0 0 615.726 7.388 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000100593192 554429231 /nfs/dbraw/zinc/42/92/31/554429231.db2.gz IZQMHXCMOYJBFD-IIZRLQMASA-N 0 0 615.726 7.388 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100593280 554429233 /nfs/dbraw/zinc/42/92/33/554429233.db2.gz XSXODRCWRKHFEX-AFMDSPMNSA-N 0 0 545.554 5.274 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100593442 554429411 /nfs/dbraw/zinc/42/94/11/554429411.db2.gz YEBULHLZEGWWME-RCAOJXLUSA-N 0 0 584.507 6.178 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100593317 554429422 /nfs/dbraw/zinc/42/94/22/554429422.db2.gz MNBAEYPXMCAEFK-ADXZGYQBSA-N 0 0 626.544 6.418 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100593406 554429429 /nfs/dbraw/zinc/42/94/29/554429429.db2.gz RHEKAAMPMMDYOL-GDJIYFAZSA-N 0 0 614.533 6.044 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100597844 554430686 /nfs/dbraw/zinc/43/06/86/554430686.db2.gz IXAQNDHRFOVVDJ-JPQMRUPTSA-N 0 0 585.653 5.402 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100600072 554431556 /nfs/dbraw/zinc/43/15/56/554431556.db2.gz JGFVPAABMSPVDK-CHJDUVSTSA-N 0 0 563.647 5.343 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100600104 554431566 /nfs/dbraw/zinc/43/15/66/554431566.db2.gz DWEAFXJQMMECRF-CCLHPLFOSA-N 0 0 575.649 6.381 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100602797 554431849 /nfs/dbraw/zinc/43/18/49/554431849.db2.gz LKIDBBLCPLXNIQ-VWLOTQADSA-N 0 0 555.469 5.718 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n21 ZINC000100619033 554434105 /nfs/dbraw/zinc/43/41/05/554434105.db2.gz KWJDXLFAMNRXIQ-FPWMYLJGSA-N 0 0 608.691 5.713 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650143 554437096 /nfs/dbraw/zinc/43/70/96/554437096.db2.gz KRYWOLPZQQFNMN-NRFANRHFSA-N 0 0 545.275 5.849 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100650402 554437155 /nfs/dbraw/zinc/43/71/55/554437155.db2.gz VQBYMPCRZKJEDF-HSZRJFAPSA-N 0 0 556.457 5.113 50 30 KKEARN COc1cc(OC)c([C@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100664947 554440009 /nfs/dbraw/zinc/44/00/09/554440009.db2.gz GHHKHNBJQZMEPF-VWLOTQADSA-N 0 0 612.546 6.327 50 30 KKEARN C=CCO/N=C(\CCCCCCCCCCCCCCCCC)[C@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100668509 554440468 /nfs/dbraw/zinc/44/04/68/554440468.db2.gz ZTOMWHHYNGADAO-RREIYIIFSA-N 0 0 519.767 7.780 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000100669435 554440495 /nfs/dbraw/zinc/44/04/95/554440495.db2.gz QBXNTMHWNBSNLU-SONOPUAISA-N 0 0 530.571 5.982 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000100669680 554440673 /nfs/dbraw/zinc/44/06/73/554440673.db2.gz KFSBDFPFQFPWQD-AFJIDDCJSA-N 0 0 542.607 5.852 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669803 554440991 /nfs/dbraw/zinc/44/09/91/554440991.db2.gz DGPJKCJCQMCTMP-XHCCPWGMSA-N 0 0 536.981 7.359 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669792 554441000 /nfs/dbraw/zinc/44/10/00/554441000.db2.gz DGPJKCJCQMCTMP-UZTOHYMASA-N 0 0 536.981 7.359 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(Br)cc1 ZINC000100673828 554442308 /nfs/dbraw/zinc/44/23/08/554442308.db2.gz YAAKXSZWHXTNAS-KSNOWIBYSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100673972 554442605 /nfs/dbraw/zinc/44/26/05/554442605.db2.gz ZACVYXWOPHVPDR-NIJXNBFTSA-N 0 0 558.458 5.716 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(SC)cc1 ZINC000100674009 554442644 /nfs/dbraw/zinc/44/26/44/554442644.db2.gz NUXISBIELAMQPK-ZSQFBXSQSA-N 0 0 535.662 5.131 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100674289 554442891 /nfs/dbraw/zinc/44/28/91/554442891.db2.gz RWYQSMBXLVHFON-NGOKVRLYSA-N 0 0 530.571 5.982 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100674229 554442941 /nfs/dbraw/zinc/44/29/41/554442941.db2.gz PDHCWTPGEZJJCU-GVXSCFBNSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677748 554444611 /nfs/dbraw/zinc/44/46/11/554444611.db2.gz NOTZBEHHZQLBHN-JOCHJYFZSA-N 0 0 536.625 6.156 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677322 554444724 /nfs/dbraw/zinc/44/47/24/554444724.db2.gz PZSDRSUZAMPJOF-HSZRJFAPSA-N 0 0 548.636 6.322 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000100680019 554446217 /nfs/dbraw/zinc/44/62/17/554446217.db2.gz OAKALDDLHSHELM-DEOSSOPVSA-N 0 0 546.645 6.065 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Br ZINC000059844890 554448317 /nfs/dbraw/zinc/44/83/17/554448317.db2.gz KZQKNWGEMHCVPE-XDHUDOTRSA-N 0 0 530.846 5.654 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059844738 554448358 /nfs/dbraw/zinc/44/83/58/554448358.db2.gz OFYFKDBIJRFJOG-KAKSKREXSA-N 0 0 547.648 5.723 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3N2)cc1OC ZINC000059845044 554448543 /nfs/dbraw/zinc/44/85/43/554448543.db2.gz MNYLKNJCPQYLIF-KVYZTJHFSA-N 0 0 545.587 5.871 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100689825 554449554 /nfs/dbraw/zinc/44/95/54/554449554.db2.gz MNNOWJDFXPBZBS-BVZFJXPGSA-N 0 0 572.521 5.821 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000100690515 554449845 /nfs/dbraw/zinc/44/98/45/554449845.db2.gz YTKPKXCUPUVGMV-QYBDOPJKSA-N 0 0 570.505 5.836 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100701550 554451673 /nfs/dbraw/zinc/45/16/73/554451673.db2.gz ZQWVXDYWSAPKDQ-NRFANRHFSA-N 0 0 587.883 8.249 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100701911 554452022 /nfs/dbraw/zinc/45/20/22/554452022.db2.gz WETNXAMQZXEENV-NRFANRHFSA-N 0 0 577.877 8.793 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000100701571 554452031 /nfs/dbraw/zinc/45/20/31/554452031.db2.gz SUNOQXWYWGLQIP-OAQYLSRUSA-N 0 0 587.883 8.249 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000100701920 554452278 /nfs/dbraw/zinc/45/22/78/554452278.db2.gz UEUXXPCGGNIJBQ-QHCPKHFHSA-N 0 0 567.023 7.273 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000100705454 554452770 /nfs/dbraw/zinc/45/27/70/554452770.db2.gz MPELJBNYRLUICT-SLGOVJDISA-N 0 0 545.676 6.340 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000100722460 554456064 /nfs/dbraw/zinc/45/60/64/554456064.db2.gz CZGXELKPGUEALF-NRFANRHFSA-N 0 0 552.336 9.284 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100722474 554456295 /nfs/dbraw/zinc/45/62/95/554456295.db2.gz KIIKYOZYUPWVNK-NRFANRHFSA-N 0 0 508.987 7.323 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100726549 554456951 /nfs/dbraw/zinc/45/69/51/554456951.db2.gz YQSVNYJJXLEZBP-VWLOTQADSA-N 0 0 565.095 8.884 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000100726803 554457430 /nfs/dbraw/zinc/45/74/30/554457430.db2.gz HJGPVEKGBCCASP-QHCPKHFHSA-N 0 0 615.937 9.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000100726868 554457580 /nfs/dbraw/zinc/45/75/80/554457580.db2.gz ZLAGRXKNPOPGMR-QHCPKHFHSA-N 0 0 605.931 9.574 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(SC)cc1 ZINC000100732580 554460296 /nfs/dbraw/zinc/46/02/96/554460296.db2.gz VVHFZLSNRTVJLO-LPPUWEFUSA-N 0 0 535.662 5.131 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732671 554460550 /nfs/dbraw/zinc/46/05/50/554460550.db2.gz YAAKXSZWHXTNAS-AMDXRBSFSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732676 554460630 /nfs/dbraw/zinc/46/06/30/554460630.db2.gz YAAKXSZWHXTNAS-NIJXNBFTSA-N 0 0 568.464 5.172 50 30 KKEARN CCCCCCCSc1nc2ccc(NCn3c4ccc(Br)cc4sc3=O)cc2s1 ZINC000100733523 554460928 /nfs/dbraw/zinc/46/09/28/554460928.db2.gz PTPBPBNCWWGSJP-UHFFFAOYSA-N 0 0 522.559 7.567 50 30 KKEARN CN(C)c1ccc(/C=N\c2ccc(-c3cc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)cc1 ZINC000100757867 554466985 /nfs/dbraw/zinc/46/69/85/554466985.db2.gz YVUXHOSCJCRZFQ-RGXNXFOYSA-N 0 0 506.447 8.148 50 30 KKEARN CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100764651 554469354 /nfs/dbraw/zinc/46/93/54/554469354.db2.gz MXNXFXUTZBEQQV-QUPMIFSKSA-N 0 0 516.841 7.001 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000100787043 554472704 /nfs/dbraw/zinc/47/27/04/554472704.db2.gz LWRNQOBXRHWPGE-XZIMBLGRSA-N 0 0 512.081 6.148 50 30 KKEARN CCCCCCCCCCOc1ccc(-c2c(=O)n(OCc3c(F)cccc3F)c3ccccc3[n+]2[O-])cc1 ZINC000100812369 554475189 /nfs/dbraw/zinc/47/51/89/554475189.db2.gz RYFRWSJGLMZQSX-UHFFFAOYSA-N 0 0 536.619 6.728 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1O ZINC000100814944 554475853 /nfs/dbraw/zinc/47/58/53/554475853.db2.gz SYRMJTYLDCMPAS-BAUDQUINSA-N 0 0 567.527 8.182 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OCC ZINC000100814977 554476082 /nfs/dbraw/zinc/47/60/82/554476082.db2.gz DULDRSLYHZOQNB-DWAMOBLFSA-N 0 0 595.581 8.875 50 30 KKEARN CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100814967 554476126 /nfs/dbraw/zinc/47/61/26/554476126.db2.gz CYBJKYIMJQTQFW-GCNKSYBOSA-N 0 0 581.554 8.485 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1OCC ZINC000100814988 554476224 /nfs/dbraw/zinc/47/62/24/554476224.db2.gz DULDRSLYHZOQNB-SEPQHQSPSA-N 0 0 595.581 8.875 50 30 KKEARN CCOc1ccc(S(=O)(=O)NC2=CC(=Nc3ccc(Br)cc3)C(=O)c3ccccc32)cc1 ZINC000100822397 554481134 /nfs/dbraw/zinc/48/11/34/554481134.db2.gz QRANTJCDPDQQEZ-QYQHSDTDSA-N 0 0 511.397 5.218 50 30 KKEARN COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2C1=O ZINC000100822267 554481149 /nfs/dbraw/zinc/48/11/49/554481149.db2.gz HVFGWWKKGHKQLH-KRUMMXJUSA-N 0 0 502.592 5.141 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100832913 554482929 /nfs/dbraw/zinc/48/29/29/554482929.db2.gz XUJVSNHIDMAKJU-YZYVYVMMSA-N 0 0 539.676 7.868 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000100833814 554483192 /nfs/dbraw/zinc/48/31/92/554483192.db2.gz RLWFXSKFFBTRMC-JTWNBILESA-N 0 0 558.494 5.603 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000100854040 554493438 /nfs/dbraw/zinc/49/34/38/554493438.db2.gz XDGVTVKZRHJTIR-UHFFFAOYSA-N 0 0 512.713 6.476 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C(=O)OCC)cc3)C2=O)SC1=S ZINC000100871301 554498731 /nfs/dbraw/zinc/49/87/31/554498731.db2.gz SKSKDZIZPSTUBH-IZHYLOQSSA-N 0 0 565.717 5.390 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S ZINC000100871347 554499022 /nfs/dbraw/zinc/49/90/22/554499022.db2.gz DPNHBWLRKYLWOL-IADYIPOJSA-N 0 0 563.808 9.109 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3F)C2=O)SC1=S ZINC000100871585 554499655 /nfs/dbraw/zinc/49/96/55/554499655.db2.gz VYKWCSFWCNODLZ-VHXPQNKSSA-N 0 0 525.671 5.743 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)SC1=S ZINC000100872219 554500824 /nfs/dbraw/zinc/50/08/24/554500824.db2.gz ZDXBBYYGQXVGDK-SGEDCAFJSA-N 0 0 617.797 5.402 50 30 KKEARN CCCCCCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC ZINC000100872605 554501397 /nfs/dbraw/zinc/50/13/97/554501397.db2.gz OYEMEZWFYCHYEG-SLMZUGIISA-N 0 0 524.686 6.996 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1 ZINC000100872643 554501614 /nfs/dbraw/zinc/50/16/14/554501614.db2.gz BFFPBMHVLQRCBH-XLNRJJMWSA-N 0 0 504.515 7.594 50 30 KKEARN CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)O/N=C(/C#N)c1ccccc1 ZINC000060272267 554504582 /nfs/dbraw/zinc/50/45/82/554504582.db2.gz FYLRWWRMJXHQNS-OHLKXVFMSA-N 0 0 578.325 7.365 50 30 KKEARN FC(F)(F)c1ccc(NC=C(/C=N/OCc2c(Cl)cccc2Cl)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100911747 554517609 /nfs/dbraw/zinc/51/76/09/554517609.db2.gz IWFDDKCLIAMPCV-PQOBVPQMSA-N 0 0 568.732 8.735 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000100915996 554519680 /nfs/dbraw/zinc/51/96/80/554519680.db2.gz VCWMCJWMEVECJY-HOSLJWMQSA-N 0 0 544.007 5.172 50 30 KKEARN Cn1nc(-c2ccccc2)c(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Sc1cccc(C(F)(F)F)c1 ZINC000100917090 554520007 /nfs/dbraw/zinc/52/00/07/554520007.db2.gz JUYUEWRFSFCDPP-UHFFFAOYSA-N 0 0 604.494 8.652 50 30 KKEARN Cn1nc(C(F)(F)F)c(/C(=N/c2cccc(C(F)(F)F)c2)Oc2ccc(C(C)(C)C)cc2)c1Cl ZINC000100924179 554523157 /nfs/dbraw/zinc/52/31/57/554523157.db2.gz BMVZCUKMNATCFK-GTWSWNCMSA-N 0 0 503.874 7.566 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000100924936 554523652 /nfs/dbraw/zinc/52/36/52/554523652.db2.gz KYAKWTFPPZKODD-UHFFFAOYSA-N 0 0 559.639 6.148 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccc(OCCC)cc1 ZINC000100925102 554523659 /nfs/dbraw/zinc/52/36/59/554523659.db2.gz GDAPTJGANZXARI-UHFFFAOYSA-N 0 0 574.559 7.005 50 30 KKEARN CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]12CN(c1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]2c1ccc(C#N)cc1 ZINC000100932188 554527892 /nfs/dbraw/zinc/52/78/92/554527892.db2.gz NCNGNRVYRCTLQV-HVNZXBJASA-N 0 0 591.495 6.262 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000100935122 554529062 /nfs/dbraw/zinc/52/90/62/554529062.db2.gz SGHWMASVWYGNPR-WJOKGBTCSA-N 0 0 548.605 6.257 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575118 554540090 /nfs/dbraw/zinc/54/00/90/554540090.db2.gz UMADKHFVSXRTGY-WUJLRWPWSA-N 0 0 510.096 5.032 50 30 KKEARN O=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575158 554540093 /nfs/dbraw/zinc/54/00/93/554540093.db2.gz IUSKDJJOYQLBDY-UHFFFAOYSA-N 0 0 539.185 6.635 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100958139 554541168 /nfs/dbraw/zinc/54/11/68/554541168.db2.gz LDIAUZYSSWVFIK-NFMXCSJRSA-N 0 0 549.649 5.272 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(S(=O)(=O)c3ccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)cc3)cc1)OCO2 ZINC000100961472 554542435 /nfs/dbraw/zinc/54/24/35/554542435.db2.gz GTYKLCZZHBZFMX-HZUVFDMRSA-N 0 0 602.537 5.294 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000100969123 554543327 /nfs/dbraw/zinc/54/33/27/554543327.db2.gz SWGYWJZREAYHTL-TTWZNGTNSA-N 0 0 541.551 5.653 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccccc1CNc1cc(C(F)(F)F)ccc1Cl ZINC000100969985 554543679 /nfs/dbraw/zinc/54/36/79/554543679.db2.gz SPKZFODTCMSGAU-UHFFFAOYSA-N 0 0 526.127 10.831 50 30 KKEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1Cl ZINC000100971295 554543776 /nfs/dbraw/zinc/54/37/76/554543776.db2.gz KQIKUQBBORIEHK-WRQBUUCKSA-N 0 0 531.987 6.828 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100986327 554548414 /nfs/dbraw/zinc/54/84/14/554548414.db2.gz VJNHXJUUVZGDDA-MRXNPFEDSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000100986328 554548439 /nfs/dbraw/zinc/54/84/39/554548439.db2.gz VJNHXJUUVZGDDA-INIZCTEOSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000100985757 554548444 /nfs/dbraw/zinc/54/84/44/554548444.db2.gz KOGAJBXEFRAPAQ-MRXNPFEDSA-N 0 0 564.748 6.141 50 30 KKEARN CCCCCCCCCCCCCCCc1cccc(O[C@@H](CC)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000100990515 554550077 /nfs/dbraw/zinc/55/00/77/554550077.db2.gz MBQFWSCVWKJOKE-PMERELPUSA-N 0 0 545.164 9.678 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2cccs2)cc1 ZINC000100994436 554550622 /nfs/dbraw/zinc/55/06/22/554550622.db2.gz USOKXKLFMVXORT-UBUZMBAGSA-N 0 0 528.055 5.739 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S ZINC000100998945 554551806 /nfs/dbraw/zinc/55/18/06/554551806.db2.gz WPLKROSDXCTCAZ-PYCFMQQDSA-N 0 0 530.760 5.792 50 30 KKEARN CCCCCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000101011873 554558279 /nfs/dbraw/zinc/55/82/79/554558279.db2.gz MRUVSXVJPPKYAG-KQWNVCNZSA-N 0 0 538.714 6.316 50 30 KKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000101016650 554560402 /nfs/dbraw/zinc/56/04/02/554560402.db2.gz HIQFAAYSCHXWRZ-UHFFFAOYSA-N 0 0 538.839 9.427 50 30 KKEARN FC(F)(F)c1cc(/N=C/c2ccc(/C=N/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)c1 ZINC000101023897 554562828 /nfs/dbraw/zinc/56/28/28/554562828.db2.gz LCYRTYGHLJOAIW-KHFVYOFBSA-N 0 0 556.350 9.263 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(Br)cc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101063433 554570993 /nfs/dbraw/zinc/57/09/93/554570993.db2.gz VKJDGCXRDVGHCW-OXUBWTJQSA-N 0 0 580.243 5.604 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000101072282 554575870 /nfs/dbraw/zinc/57/58/70/554575870.db2.gz CNYHKGPUJBDMPJ-MIOXIQPJSA-N 0 0 605.529 5.481 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000101072283 554575982 /nfs/dbraw/zinc/57/59/82/554575982.db2.gz CNYHKGPUJBDMPJ-WGGXKBPPSA-N 0 0 605.529 5.481 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101073001 554576548 /nfs/dbraw/zinc/57/65/48/554576548.db2.gz YERGFBURMABQGZ-ASBZNUFUSA-N 0 0 525.449 6.363 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(-c3ccc(Br)cc3)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000101084530 554580232 /nfs/dbraw/zinc/58/02/32/554580232.db2.gz OTRBBEJKGUYUMI-RUZDIDTESA-N 0 0 513.428 6.568 50 30 KKEARN CCCCCCCCCCCCOc1cc2oc3cc(OCCCCCCCCCCCC)c(C#N)cc3c2cc1C#N ZINC000101094309 554583716 /nfs/dbraw/zinc/58/37/16/554583716.db2.gz FYUUITLQLNTRLQ-UHFFFAOYSA-N 0 0 586.861 11.929 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101100453 554587392 /nfs/dbraw/zinc/58/73/92/554587392.db2.gz AFEWREXGHFSXFU-UKKBHZCMSA-N 0 0 533.613 6.574 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000101101124 554588043 /nfs/dbraw/zinc/58/80/43/554588043.db2.gz HTFHKLCZQXKMMI-MIOXIQPJSA-N 0 0 605.529 5.481 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101517 554638776 /nfs/dbraw/zinc/63/87/76/554638776.db2.gz QLTDDCIANGJKIY-JBCNATCCSA-N 0 0 505.393 5.994 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128368 554646686 /nfs/dbraw/zinc/64/66/86/554646686.db2.gz JRLXFSVHUCENDO-RJFKIUDMSA-N 0 0 581.477 5.540 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000101156808 554658829 /nfs/dbraw/zinc/65/88/29/554658829.db2.gz BQVYVLQDZBLVLO-FLASPHMUSA-N 0 0 590.676 6.427 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cc(-c2cccs2)nc2cc(C)c(C)cc21 ZINC000101164729 554660809 /nfs/dbraw/zinc/66/08/09/554660809.db2.gz XDHDIPIRNZIGGV-UHFFFAOYSA-N 0 0 546.721 8.153 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000101185024 554668910 /nfs/dbraw/zinc/66/89/10/554668910.db2.gz YCYDPFCEDAGZFU-UHFFFAOYSA-N 0 0 603.384 8.655 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204468 554674355 /nfs/dbraw/zinc/67/43/55/554674355.db2.gz OEHWHLHVFIKCRH-UVMFRMCBSA-N 0 0 581.709 6.988 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101204445 554674389 /nfs/dbraw/zinc/67/43/89/554674389.db2.gz RBYRRPHNLYZDEI-VKGTZQKMSA-N 0 0 584.507 6.180 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204528 554674595 /nfs/dbraw/zinc/67/45/95/554674595.db2.gz HHKRWCDJXNVKBI-OOXUFLSTSA-N 0 0 597.708 6.224 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204803 554674939 /nfs/dbraw/zinc/67/49/39/554674939.db2.gz VMSSPLXRAYPFFT-GDJIYFAZSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)c(C)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209544 554678224 /nfs/dbraw/zinc/67/82/24/554678224.db2.gz YTWVCRLKDLBONA-UHFFFAOYSA-N 0 0 567.904 7.383 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(Br)c1 ZINC000101209963 554678690 /nfs/dbraw/zinc/67/86/90/554678690.db2.gz VLPQFDRMSBTKFH-HSZRJFAPSA-N 0 0 543.458 5.483 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccccc1Cl ZINC000101210461 554679050 /nfs/dbraw/zinc/67/90/50/554679050.db2.gz PWEPQIAGZJXBNU-UHFFFAOYSA-N 0 0 523.395 6.252 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc2ccccc2c1 ZINC000101211976 554679530 /nfs/dbraw/zinc/67/95/30/554679530.db2.gz UKXZGCZCKIOBFE-UHFFFAOYSA-N 0 0 534.587 5.943 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101212657 554679806 /nfs/dbraw/zinc/67/98/06/554679806.db2.gz YVGIOPIELLYDLK-UVMFRMCBSA-N 0 0 613.776 6.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212821 554679997 /nfs/dbraw/zinc/67/99/97/554679997.db2.gz WDPFPEUMDRCXGU-GOOPYHEFSA-N 0 0 607.747 7.520 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101212919 554680194 /nfs/dbraw/zinc/68/01/94/554680194.db2.gz GHOGDBFUNLVHED-DNBAOMTPSA-N 0 0 581.709 6.986 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218125 554685250 /nfs/dbraw/zinc/68/52/50/554685250.db2.gz SWPWLXJEZBNRKB-YHZWMNSLSA-N 0 0 607.747 7.520 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218448 554685499 /nfs/dbraw/zinc/68/54/99/554685499.db2.gz OGTVSYGKKVLVCB-FOPBOCKXSA-N 0 0 613.776 6.941 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218440 554685501 /nfs/dbraw/zinc/68/55/01/554685501.db2.gz OGTVSYGKKVLVCB-YJNPBZNESA-N 0 0 613.776 6.941 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218703 554685906 /nfs/dbraw/zinc/68/59/06/554685906.db2.gz CCMOKFFNNRDMRI-DEOSSOPVSA-N 0 0 531.099 5.092 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218696 554685911 /nfs/dbraw/zinc/68/59/11/554685911.db2.gz GCEMFYLOKBSTCK-DEOSSOPVSA-N 0 0 565.544 5.745 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218718 554685916 /nfs/dbraw/zinc/68/59/16/554685916.db2.gz RDJGFRNNAJCBGT-XMMPIXPASA-N 0 0 545.126 5.400 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218693 554685919 /nfs/dbraw/zinc/68/59/19/554685919.db2.gz GCEMFYLOKBSTCK-XMMPIXPASA-N 0 0 565.544 5.745 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218784 554685933 /nfs/dbraw/zinc/68/59/33/554685933.db2.gz AAYGMJGCJPJDKT-UHFFFAOYSA-N 0 0 555.487 5.970 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(OCC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218798 554686067 /nfs/dbraw/zinc/68/60/67/554686067.db2.gz SRUNUCRUAGLXHC-UHFFFAOYSA-N 0 0 551.068 5.407 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218811 554686073 /nfs/dbraw/zinc/68/60/73/554686073.db2.gz MMEFDLLTEJUCAW-UHFFFAOYSA-N 0 0 574.099 5.075 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219243 554686103 /nfs/dbraw/zinc/68/61/03/554686103.db2.gz BSZNKEAKHBKDAA-MHZLTWQESA-N 0 0 554.734 5.262 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218788 554686126 /nfs/dbraw/zinc/68/61/26/554686126.db2.gz KXDRNJNBPQBQDV-UHFFFAOYSA-N 0 0 525.005 5.147 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1cccc2ccccc21 ZINC000101220430 554686388 /nfs/dbraw/zinc/68/63/88/554686388.db2.gz NGADOFWUHSLJQO-LJAQVGFWSA-N 0 0 532.687 5.261 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220763 554686834 /nfs/dbraw/zinc/68/68/34/554686834.db2.gz YCVNKPFUCPWEJB-IANOAQMISA-N 0 0 589.729 6.739 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220740 554686838 /nfs/dbraw/zinc/68/68/38/554686838.db2.gz LXSVSLNPPCLZHL-ADXZGYQBSA-N 0 0 630.532 5.425 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccccc1 ZINC000101220927 554687056 /nfs/dbraw/zinc/68/70/56/554687056.db2.gz UNGPYDSKHBZMPO-SQHAQQRYSA-N 0 0 612.686 5.664 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCc1nc3c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-3)-c1ccccc1CC21CCCCC1 ZINC000101232330 554689700 /nfs/dbraw/zinc/68/97/00/554689700.db2.gz ZPMCQBHSMNKVOF-UHFFFAOYSA-N 0 0 616.831 8.067 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237947 554692500 /nfs/dbraw/zinc/69/25/00/554692500.db2.gz AOKXRZUWAZKPDO-FTJBHMTQSA-N 0 0 564.539 5.573 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Br)cc2)SC1=S ZINC000101244755 554693407 /nfs/dbraw/zinc/69/34/07/554693407.db2.gz KFDNSDVUMCAXHT-CPNJWEJPSA-N 0 0 521.414 5.202 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101249678 554693789 /nfs/dbraw/zinc/69/37/89/554693789.db2.gz GZCWSEBHFBQBQX-IARZGTGTSA-N 0 0 511.578 5.187 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(Br)c(OC)c2)C(=O)/C(=C/c2ccc(Br)c(OC)c2)C1 ZINC000101257699 554697059 /nfs/dbraw/zinc/69/70/59/554697059.db2.gz OIJBFUCLQGPUMA-AYKLPDECSA-N 0 0 562.342 8.111 50 30 KKEARN COc1cc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(OCCC(C)C)c(OC)c3)C2=O)ccc1OCCC(C)C ZINC000101257790 554697070 /nfs/dbraw/zinc/69/70/70/554697070.db2.gz VBCPTRDKFAURIB-UOSOPFLXSA-N 0 0 562.791 9.046 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101258655 554697243 /nfs/dbraw/zinc/69/72/43/554697243.db2.gz QTFSAORXMQILBN-SPFJJUEISA-N 0 0 548.006 6.108 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101267054 554699566 /nfs/dbraw/zinc/69/95/66/554699566.db2.gz AKNMBDAHQFZXLP-SPFJJUEISA-N 0 0 548.006 6.108 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276794 554703154 /nfs/dbraw/zinc/70/31/54/554703154.db2.gz BGIIRRBXPGSAHO-ROBPHKHBSA-N 0 0 616.692 5.708 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276812 554703346 /nfs/dbraw/zinc/70/33/46/554703346.db2.gz MMAKXGFXONHFFK-QJGFIUGVSA-N 0 0 622.699 6.323 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277686 554704166 /nfs/dbraw/zinc/70/41/66/554704166.db2.gz UMXBGCUBEDCIAO-SBXHHDGASA-N 0 0 560.672 6.035 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277827 554704220 /nfs/dbraw/zinc/70/42/20/554704220.db2.gz TWOCCGOGJKRYNA-AYWGPLOBSA-N 0 0 532.618 5.300 50 30 KKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000101292855 554709652 /nfs/dbraw/zinc/70/96/52/554709652.db2.gz IZYXUCYAPGRWIQ-QFIPXVFZSA-N 0 0 540.516 7.186 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294231 554710906 /nfs/dbraw/zinc/71/09/06/554710906.db2.gz MPHZLDYCWXABLD-RFAFYKRUSA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294225 554710987 /nfs/dbraw/zinc/71/09/87/554710987.db2.gz GYDKRBGTAFHIRU-FZIYRNTBSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294240 554710994 /nfs/dbraw/zinc/71/09/94/554710994.db2.gz MZFYKDGBAYVSFI-SSELITHESA-N 0 0 542.588 5.950 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294274 554711163 /nfs/dbraw/zinc/71/11/63/554711163.db2.gz IYUDZHPKSBRVPZ-XKNZNLGKSA-N 0 0 568.651 6.210 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310243 554717211 /nfs/dbraw/zinc/71/72/11/554717211.db2.gz JOGWWNRRUDBNSK-WBMUNJTESA-N 0 0 590.654 5.151 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312860 554720887 /nfs/dbraw/zinc/72/08/87/554720887.db2.gz WUPCBLURMQWBCY-UOWMXVQPSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000101312840 554720919 /nfs/dbraw/zinc/72/09/19/554720919.db2.gz JJWNXUCDOBOYGK-NAPKFFDZSA-N 0 0 612.682 6.250 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)c1 ZINC000101313226 554721616 /nfs/dbraw/zinc/72/16/16/554721616.db2.gz NOBDXYGCCIQULC-UMKORLBGSA-N 0 0 582.656 6.242 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313267 554721697 /nfs/dbraw/zinc/72/16/97/554721697.db2.gz URPRUANNOLVLLZ-CZNAVJSXSA-N 0 0 526.614 6.113 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000101313294 554721855 /nfs/dbraw/zinc/72/18/55/554721855.db2.gz RVNWFJVHBYCJGU-ZHHPLPSFSA-N 0 0 505.368 5.031 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313473 554721874 /nfs/dbraw/zinc/72/18/74/554721874.db2.gz JVRMZLKKRZTCEV-NPJIAGGLSA-N 0 0 512.587 5.804 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313724 554722146 /nfs/dbraw/zinc/72/21/46/554722146.db2.gz YLCDUJXVEBOAGL-RFAFYKRUSA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313940 554722444 /nfs/dbraw/zinc/72/24/44/554722444.db2.gz FDPUKXFYKQCKCY-CZNAVJSXSA-N 0 0 556.596 5.267 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313932 554722498 /nfs/dbraw/zinc/72/24/98/554722498.db2.gz VHHRRLUWPCBNDQ-CJJGVWJISA-N 0 0 540.597 5.567 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318687 554726014 /nfs/dbraw/zinc/72/60/14/554726014.db2.gz ZTORIHGFDGOHMY-HATVSKDLSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000101327882 554729523 /nfs/dbraw/zinc/72/95/23/554729523.db2.gz CGENBSXUZLTXDC-UHFFFAOYSA-N 0 0 558.639 5.433 50 30 KKEARN CCCc1nnc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@@H]2c2ccc(CC)cc2)s1 ZINC000101344547 554736791 /nfs/dbraw/zinc/73/67/91/554736791.db2.gz NZQHTEODMYBTGX-QFIPXVFZSA-N 0 0 530.675 6.268 50 30 KKEARN CC(C)c1ccc([C@@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCOCC2)cc1 ZINC000101360839 554742484 /nfs/dbraw/zinc/74/24/84/554742484.db2.gz ARECGONBEMMGMP-SSEXGKCCSA-N 0 0 557.094 7.054 50 30 KKEARN C=CCn1c(SCc2ccc(F)cc2C(F)(F)F)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101365028 554743690 /nfs/dbraw/zinc/74/36/90/554743690.db2.gz AQXKAFVFLGZDNA-UHFFFAOYSA-N 0 0 520.555 7.797 50 30 KKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101365281 554743697 /nfs/dbraw/zinc/74/36/97/554743697.db2.gz ZMLZFSZYKPQIRR-UHFFFAOYSA-N 0 0 520.555 7.797 50 30 KKEARN C=CCn1c(SCc2cccc(I)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101365248 554743739 /nfs/dbraw/zinc/74/37/39/554743739.db2.gz BOMGMIVWRNKXEK-UHFFFAOYSA-N 0 0 560.464 7.243 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376390 554746359 /nfs/dbraw/zinc/74/63/59/554746359.db2.gz JBYLNDKWKYFFRP-JOCHJYFZSA-N 0 0 538.069 5.933 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@@H](C)c3ccccc3)N2[C@H]1c1ccccc1Cl ZINC000101389773 554753859 /nfs/dbraw/zinc/75/38/59/554753859.db2.gz VGUYBIKUINEQGW-GKVSMKOHSA-N 0 0 508.043 5.912 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000101483983 554785078 /nfs/dbraw/zinc/78/50/78/554785078.db2.gz WHRBZXFJYZNUBM-RRTCDKLQSA-N 0 0 597.736 8.063 50 30 KKEARN O=C(/N=S(\NC(=O)c1ccccc1)c1ccc(Nc2ccccc2/N=C/c2ccc([N+](=O)[O-])o2)cc1)c1ccccc1 ZINC000101493988 554786495 /nfs/dbraw/zinc/78/64/95/554786495.db2.gz VBMUGUJCSGYEHZ-RUMWWMSVSA-N 0 0 577.622 7.028 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1cc(Cl)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000101495399 554786905 /nfs/dbraw/zinc/78/69/05/554786905.db2.gz WQFSGKRGOLMFEK-XAHDOWKMSA-N 0 0 608.065 12.100 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc3ccccc32)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000101500838 554788501 /nfs/dbraw/zinc/78/85/01/554788501.db2.gz PTYMOIWIZBUHBI-OOOSNSGVSA-N 0 0 548.082 7.641 50 30 KKEARN COC(=O)c1ccc(/N=C2\S/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)N2C)cc1 ZINC000101526792 554794301 /nfs/dbraw/zinc/79/43/01/554794301.db2.gz OKVPBFLVRQBECB-PKNUDXBSSA-N 0 0 515.591 5.033 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(Cl)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000101543497 554795962 /nfs/dbraw/zinc/79/59/62/554795962.db2.gz RURKFXVOKVQKIX-IHAJHMTMSA-N 0 0 554.046 5.228 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1I ZINC000101625294 554810991 /nfs/dbraw/zinc/81/09/91/554810991.db2.gz LUEUQNCDVDLZHG-UBFVSLLYSA-N 0 0 561.810 6.229 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(Cl)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000101672997 554826598 /nfs/dbraw/zinc/82/65/98/554826598.db2.gz VHOGVTWOODQXFF-BANVDVKSSA-N 0 0 554.046 5.228 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(Cl)c1C)C[C@@](C)(c1cccnc1)O2 ZINC000101683641 554828886 /nfs/dbraw/zinc/82/88/86/554828886.db2.gz DPXMMEMJZOHIBP-CWBAGSBASA-N 0 0 539.057 5.374 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(OC)c2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000101726197 554832749 /nfs/dbraw/zinc/83/27/49/554832749.db2.gz PQYNJMSKOSNEEH-KLHGDHNKSA-N 0 0 518.679 7.087 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)c(OC)c2OC)C[C@H](C(C)(C)C)CC3)cc1 ZINC000101726251 554832806 /nfs/dbraw/zinc/83/28/06/554832806.db2.gz PAUQRBHOHOMTJC-NWJTYWEUSA-N 0 0 578.731 7.105 50 30 KKEARN CCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC000101772633 554837564 /nfs/dbraw/zinc/83/75/64/554837564.db2.gz WXLGICNTPAGZCR-UHFFFAOYSA-N 0 0 586.732 7.904 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(C)cc3C)c3ccccc32)cc1 ZINC000101962825 554853575 /nfs/dbraw/zinc/85/35/75/554853575.db2.gz FIYUVIPDEYPKFP-TXAGPFMXSA-N 0 0 512.609 6.265 50 30 KKEARN CC(C)c1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)cc1 ZINC000101969407 554855044 /nfs/dbraw/zinc/85/50/44/554855044.db2.gz LHEVZTCRLOZPSG-OVAOOHOOSA-N 0 0 566.082 6.078 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@@H]2c1cc(Br)ccc1O ZINC000102047895 554870450 /nfs/dbraw/zinc/87/04/50/554870450.db2.gz IZUGUTBOFWNZAF-PEBXRYMYSA-N 0 0 534.435 5.653 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000102051916 554871463 /nfs/dbraw/zinc/87/14/63/554871463.db2.gz OGCDCQAKQZHZTK-URAOTHONSA-N 0 0 568.630 5.307 50 30 KKEARN O=c1c2c([nH]n1-c1cc(Cl)ccc1Cl)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Cl)cc1 ZINC000102051381 554871511 /nfs/dbraw/zinc/87/15/11/554871511.db2.gz OJWGFEJDHCYOGL-FPTDNZKUSA-N 0 0 542.875 7.146 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000102052834 554871946 /nfs/dbraw/zinc/87/19/46/554871946.db2.gz JBCCMJJRADVYQK-VKGTZQKMSA-N 0 0 583.641 5.167 50 30 KKEARN CCCCCCCc1ccc2c(c1)OCCOCCOc1ccc(CCCCCCC)cc1OCCOCCO2 ZINC000102056443 554872935 /nfs/dbraw/zinc/87/29/35/554872935.db2.gz HYBHORLKDFJXRM-UHFFFAOYSA-N 0 0 556.784 7.975 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057031 554873124 /nfs/dbraw/zinc/87/31/24/554873124.db2.gz OLVHAOSEGGXBEO-UHFFFAOYSA-N 0 0 573.630 7.287 50 30 KKEARN CCCCCCCCCCCCCCCCCOC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 ZINC000102060538 554873127 /nfs/dbraw/zinc/87/31/27/554873127.db2.gz GBIMBQZLTMGQPX-UHFFFAOYSA-N 0 0 503.749 8.062 50 30 KKEARN Cc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)s1 ZINC000102065615 554873408 /nfs/dbraw/zinc/87/34/08/554873408.db2.gz AAVUPFITHBSLHT-UHFFFAOYSA-N 0 0 543.227 5.497 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C(=N/c2ccc3c(c2)OCO3)N1c1ccc2c(c1)OCO2 ZINC000102073749 554874342 /nfs/dbraw/zinc/87/43/42/554874342.db2.gz CKZBZKRQCTVPFN-WYAOHCAMSA-N 0 0 555.524 6.121 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076455 554874526 /nfs/dbraw/zinc/87/45/26/554874526.db2.gz HTCUYWYBNIZESF-QOISPNJLSA-N 0 0 525.645 6.099 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102076517 554874647 /nfs/dbraw/zinc/87/46/47/554874647.db2.gz OBFLSFPLBSAUBE-WZLGSTDNSA-N 0 0 504.608 5.518 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076542 554874828 /nfs/dbraw/zinc/87/48/28/554874828.db2.gz AIHTVJDFXIHUJU-XVTRYDTASA-N 0 0 560.672 6.029 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076568 554874831 /nfs/dbraw/zinc/87/48/31/554874831.db2.gz JMMWTGIGTHZLKX-QJGFIUGVSA-N 0 0 568.695 6.979 50 30 KKEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102077712 554875514 /nfs/dbraw/zinc/87/55/14/554875514.db2.gz UZFJGDUUHQFFJQ-URXAHBSBSA-N 0 0 588.472 5.616 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000102134713 554887480 /nfs/dbraw/zinc/88/74/80/554887480.db2.gz CERBOIIBKSGJJK-GOSISDBHSA-N 0 0 555.802 6.378 50 30 KKEARN CCCCCCCCn1c(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1ccc(Cl)cc1 ZINC000102138858 554888027 /nfs/dbraw/zinc/88/80/27/554888027.db2.gz OJCASFXFGMPBDL-JOCHJYFZSA-N 0 0 581.186 6.876 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Cl)cc3)N(CCc3ccccc3)C1=O)S2 ZINC000102143596 554888941 /nfs/dbraw/zinc/88/89/41/554888941.db2.gz NDCVJPFQRMVJRB-CNPBBGJZSA-N 0 0 508.068 6.565 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Oc4ccccc4)cc3)N(CCc3ccccc3)C1=O)S2 ZINC000102145126 554889289 /nfs/dbraw/zinc/88/92/89/554889289.db2.gz POLYWNAZQWAQKO-XZWPOAIWSA-N 0 0 565.720 7.704 50 30 KKEARN CN1C(=O)/C(=C2/S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c2cc(Br)cc(Br)c21 ZINC000102284148 554907282 /nfs/dbraw/zinc/90/72/82/554907282.db2.gz GEKVCJDRFSAUNK-FYWRMAATSA-N 0 0 561.177 5.469 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)NC(=S)Nc1nc(C)c(C(=O)/C=C/c2ccco2)s1 ZINC000102308618 554909545 /nfs/dbraw/zinc/90/95/45/554909545.db2.gz WDXBZIKGASLSRU-FMQUCBEESA-N 0 0 531.788 8.235 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(N(C)C)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000102311586 554909693 /nfs/dbraw/zinc/90/96/93/554909693.db2.gz OFQDDTLVBDRDIE-BUKSSGJPSA-N 0 0 565.699 6.850 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccccc2)n(C)c2ccccc21 ZINC000102313148 554910063 /nfs/dbraw/zinc/91/00/63/554910063.db2.gz FCBHKYNEDVJPSB-KKYHWDRJSA-N 0 0 537.814 8.062 50 30 KKEARN O=C1c2ccccc2C(=O)c2cc(/N=C(/Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c3ccccc3)ccc21 ZINC000102315524 554911324 /nfs/dbraw/zinc/91/13/24/554911324.db2.gz VALHRMGGHSLSOJ-UHFFFAOYSA-N 0 0 532.555 6.428 50 30 KKEARN CC1(C)[C@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000102412576 554923846 /nfs/dbraw/zinc/92/38/46/554923846.db2.gz AWRFTRMLQHGDQS-QHCPKHFHSA-N 0 0 598.519 7.376 50 30 KKEARN CC1(C)[C@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000102413085 554923948 /nfs/dbraw/zinc/92/39/48/554923948.db2.gz MCTLDBHTGRHQBK-QHCPKHFHSA-N 0 0 598.519 7.376 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102443925 554930273 /nfs/dbraw/zinc/93/02/73/554930273.db2.gz QENDRKRNFZRFCY-WSEBHVOGSA-N 0 0 617.883 5.489 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000102449593 554931249 /nfs/dbraw/zinc/93/12/49/554931249.db2.gz GYNDNZJMZCWAOM-KJLZTZQRSA-N 0 0 586.486 5.457 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 ZINC000102492783 554939627 /nfs/dbraw/zinc/93/96/27/554939627.db2.gz PUAYGBWLYCBSLP-SAPVJNCWSA-N 0 0 552.324 5.382 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102495577 554940328 /nfs/dbraw/zinc/94/03/28/554940328.db2.gz NQNRDWHZMWFUQA-SBXHHDGASA-N 0 0 503.023 7.008 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496159 554940545 /nfs/dbraw/zinc/94/05/45/554940545.db2.gz ANOHNDVBKVHJGX-AYWGPLOBSA-N 0 0 534.565 5.396 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102496138 554940605 /nfs/dbraw/zinc/94/06/05/554940605.db2.gz JMUZLPSQYUDVLF-AHPONGEQSA-N 0 0 596.650 9.661 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102497626 554941304 /nfs/dbraw/zinc/94/13/04/554941304.db2.gz DLIKPPISLSMYPZ-NBXYUPGTSA-N 0 0 565.622 6.203 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102497983 554941317 /nfs/dbraw/zinc/94/13/17/554941317.db2.gz LOIUCDARSFSYJN-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102499560 554942179 /nfs/dbraw/zinc/94/21/79/554942179.db2.gz DWSQEYQKBKTOPU-ZORLYMSLSA-N 0 0 612.649 9.361 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102502732 554943705 /nfs/dbraw/zinc/94/37/05/554943705.db2.gz KWOQPAOUNJQGLP-QJGFIUGVSA-N 0 0 527.617 5.819 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102503810 554943967 /nfs/dbraw/zinc/94/39/67/554943967.db2.gz JZQXYEVOUFGJNQ-AHPONGEQSA-N 0 0 554.687 5.280 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102505229 554944280 /nfs/dbraw/zinc/94/42/80/554944280.db2.gz QTMYWBGRMDIQDA-MIOXIQPJSA-N 0 0 527.661 6.330 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507506 554944845 /nfs/dbraw/zinc/94/48/45/554944845.db2.gz XKWOVWVUTFEWJS-BUANBSPESA-N 0 0 533.005 5.979 50 30 KKEARN O=C(/C=C\c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000102507792 554945178 /nfs/dbraw/zinc/94/51/78/554945178.db2.gz MRDQSJXWOSFAHP-APSNUPSMSA-N 0 0 536.500 5.904 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F ZINC000102511119 554946255 /nfs/dbraw/zinc/94/62/55/554946255.db2.gz NXXXBJCHYLDIQC-VEZPTTSMSA-N 0 0 600.613 9.491 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102513235 554947051 /nfs/dbraw/zinc/94/70/51/554947051.db2.gz DMCVBSVKLXTYOS-UVDRRRQGSA-N 0 0 502.567 6.077 50 30 KKEARN COC(=O)[C@@]1(Nc2c(Cl)cccc2Cl)C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000102513722 554947200 /nfs/dbraw/zinc/94/72/00/554947200.db2.gz UYHVMKXMLCGEIA-AZGSXVSQSA-N 0 0 511.361 5.168 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000102515146 554947569 /nfs/dbraw/zinc/94/75/69/554947569.db2.gz XSEDRAWQKVPMQP-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516564 554947799 /nfs/dbraw/zinc/94/77/99/554947799.db2.gz SRRGIMJFMPGXMJ-MOBKVPTQSA-N 0 0 504.539 5.387 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102517814 554948727 /nfs/dbraw/zinc/94/87/27/554948727.db2.gz WNCYMIDKVXSZLW-KFLIVHAJSA-N 0 0 642.675 9.369 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102524645 554951373 /nfs/dbraw/zinc/95/13/73/554951373.db2.gz LYDLXOLMPAULSP-NXLSWJSLSA-N 0 0 530.602 5.647 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102524636 554951379 /nfs/dbraw/zinc/95/13/79/554951379.db2.gz LYDLXOLMPAULSP-SBXHHDGASA-N 0 0 530.602 5.647 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102526048 554951877 /nfs/dbraw/zinc/95/18/77/554951877.db2.gz OQFPNLUCEJIRBD-VDBNUPDGSA-N 0 0 555.671 6.600 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526380 554952113 /nfs/dbraw/zinc/95/21/13/554952113.db2.gz UFEVMAQHWZNFSE-SBXHHDGASA-N 0 0 502.567 6.159 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000102530190 554953693 /nfs/dbraw/zinc/95/36/93/554953693.db2.gz BHSIDCXIISPMHL-TXTDGAROSA-N 0 0 515.606 5.431 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102532245 554954077 /nfs/dbraw/zinc/95/40/77/554954077.db2.gz GGBDHJHXLWDZII-AYWGPLOBSA-N 0 0 508.596 5.192 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531515 554954226 /nfs/dbraw/zinc/95/42/26/554954226.db2.gz POGGZIIQASDNEN-SBXHHDGASA-N 0 0 546.601 5.347 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102533603 554955038 /nfs/dbraw/zinc/95/50/38/554955038.db2.gz IZKBPPGLCPMLBM-JVJOXMINSA-N 0 0 517.578 5.412 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102538725 554956569 /nfs/dbraw/zinc/95/65/69/554956569.db2.gz ZOJCZYWRBYAXKV-COUQNMRISA-N 0 0 502.661 6.898 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102539090 554956752 /nfs/dbraw/zinc/95/67/52/554956752.db2.gz UDETZAVCIXRWOY-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102539234 554956889 /nfs/dbraw/zinc/95/68/89/554956889.db2.gz MWFGSGPXLUIKNB-MOBKVPTQSA-N 0 0 535.419 6.002 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102543213 554958211 /nfs/dbraw/zinc/95/82/11/554958211.db2.gz QWLSKZDKAPHNSN-HUVRIODYSA-N 0 0 575.661 6.262 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102547522 554959931 /nfs/dbraw/zinc/95/99/31/554959931.db2.gz RHDNGQLAVGJGME-KWBQTAPJSA-N 0 0 541.585 5.771 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549414 554961094 /nfs/dbraw/zinc/96/10/94/554961094.db2.gz SVNNMAXLKBVGHC-FZIYRNTBSA-N 0 0 601.725 7.043 50 30 KKEARN CCCCCCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c1nc1c(C)cccn1c2=O ZINC000102550529 554961781 /nfs/dbraw/zinc/96/17/81/554961781.db2.gz XLQYYAIHXHRSRL-UHFFFAOYSA-N 0 0 557.514 5.393 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102553024 554962874 /nfs/dbraw/zinc/96/28/74/554962874.db2.gz SHFMUUYGXZQQLT-KFLIVHAJSA-N 0 0 579.778 8.312 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000102553153 554963197 /nfs/dbraw/zinc/96/31/97/554963197.db2.gz QBHICTFJFNYUIX-QMMFTLRZSA-N 0 0 582.623 9.352 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102554495 554963784 /nfs/dbraw/zinc/96/37/84/554963784.db2.gz MHBNDLVOLHEHES-YMOXJMBTSA-N 0 0 540.641 6.262 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102555127 554964037 /nfs/dbraw/zinc/96/40/37/554964037.db2.gz UXMPFWXDLRWTFH-QMMFTLRZSA-N 0 0 572.617 9.896 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555508 554964056 /nfs/dbraw/zinc/96/40/56/554964056.db2.gz RWQQUWIIFFJOOS-LLAWDOGUSA-N 0 0 590.698 6.181 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102556378 554964721 /nfs/dbraw/zinc/96/47/21/554964721.db2.gz UPIQRAGMWFYBMF-NPAJZZOTSA-N 0 0 570.667 6.490 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)cc(Br)c1OC ZINC000102557572 554965245 /nfs/dbraw/zinc/96/52/45/554965245.db2.gz MVMJZIUPTJWKTH-YIKPVDIZSA-N 0 0 515.404 5.087 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102558233 554965586 /nfs/dbraw/zinc/96/55/86/554965586.db2.gz HAHPEXHKRBPKDI-YSJQHINGSA-N 0 0 628.747 7.222 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558877 554966322 /nfs/dbraw/zinc/96/63/22/554966322.db2.gz DOBNJMBPYNCHIW-RFAFYKRUSA-N 0 0 561.059 6.688 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102559399 554966916 /nfs/dbraw/zinc/96/69/16/554966916.db2.gz KYCFAHFYMJWKMC-CZNAVJSXSA-N 0 0 510.615 6.219 50 30 KKEARN CC1(C)[C@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102560207 554967500 /nfs/dbraw/zinc/96/75/00/554967500.db2.gz MQTLFDWDQUGBMS-QFIPXVFZSA-N 0 0 584.492 7.334 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102559994 554967558 /nfs/dbraw/zinc/96/75/58/554967558.db2.gz IHLZJUIYRSSNBV-XTUFCYCQSA-N 0 0 570.667 6.434 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102560251 554967626 /nfs/dbraw/zinc/96/76/26/554967626.db2.gz MVMSKDYEQDGIJJ-YSJQHINGSA-N 0 0 604.684 7.437 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102561532 554968343 /nfs/dbraw/zinc/96/83/43/554968343.db2.gz VPVRXRPRWLBCRC-ZORLYMSLSA-N 0 0 571.670 5.946 50 30 KKEARN COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564590 554969580 /nfs/dbraw/zinc/96/95/80/554969580.db2.gz PJNJRJMWNLPGHS-FLJNSMSWSA-N 0 0 619.139 7.333 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102586732 554973247 /nfs/dbraw/zinc/97/32/47/554973247.db2.gz UEVPYOSUSDJRQZ-NPJIAGGLSA-N 0 0 512.587 5.565 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586143 554973291 /nfs/dbraw/zinc/97/32/91/554973291.db2.gz JVEIDLADPWFWMF-IKZPYDRGSA-N 0 0 558.631 6.564 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102589003 554973864 /nfs/dbraw/zinc/97/38/64/554973864.db2.gz MJECKADPLYITDS-VAGBDARLSA-N 0 0 504.608 5.662 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102589388 554973897 /nfs/dbraw/zinc/97/38/97/554973897.db2.gz IQFYGWMLLKDOOP-VEZPTTSMSA-N 0 0 548.724 8.498 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102592904 554974440 /nfs/dbraw/zinc/97/44/40/554974440.db2.gz KSFVKWCVIQHPBL-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)[C@H]1CCCC(=Cc2ccco2)C1=O ZINC000102597428 554977011 /nfs/dbraw/zinc/97/70/11/554977011.db2.gz LNWFOZSQLNZJSJ-VKDDHYRNSA-N 0 0 524.400 5.733 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102602614 554977953 /nfs/dbraw/zinc/97/79/53/554977953.db2.gz UPSVQCFJHVINHM-UUALVTFQSA-N 0 0 538.669 6.954 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603945 554978209 /nfs/dbraw/zinc/97/82/09/554978209.db2.gz JSPULEZSPRKWOB-XTUFCYCQSA-N 0 0 572.658 6.954 50 30 KKEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611371 554981471 /nfs/dbraw/zinc/98/14/71/554981471.db2.gz DWCHCQFASUUDIL-QFIPXVFZSA-N 0 0 566.532 5.200 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(C(=O)c3ccc(OC)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000102627327 554988245 /nfs/dbraw/zinc/98/82/45/554988245.db2.gz YOJUENDZNPYIBZ-HQPXJFEFSA-N 0 0 580.666 6.429 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102644699 554991687 /nfs/dbraw/zinc/99/16/87/554991687.db2.gz POSVLZQYGIGQFD-VTVSLZSGSA-N 0 0 511.618 5.853 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102645053 554991964 /nfs/dbraw/zinc/99/19/64/554991964.db2.gz BSUDCSNARKTNDZ-YELMDPSYSA-N 0 0 525.645 6.243 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102646124 554992425 /nfs/dbraw/zinc/99/24/25/554992425.db2.gz BFTOXOJLTSAYOJ-AMKIGSDESA-N 0 0 503.551 5.022 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102646566 554992715 /nfs/dbraw/zinc/99/27/15/554992715.db2.gz UGEXIGFWZBLFFB-VMFRQMAUSA-N 0 0 513.590 5.082 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102648502 554994031 /nfs/dbraw/zinc/99/40/31/554994031.db2.gz HQUFSXRBMCOSMU-VDBNUPDGSA-N 0 0 531.608 6.467 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102648219 554994036 /nfs/dbraw/zinc/99/40/36/554994036.db2.gz OHQWVWAYJYBHEI-YMMFOPJESA-N 0 0 504.380 5.394 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102651403 554995992 /nfs/dbraw/zinc/99/59/92/554995992.db2.gz BRTFTJCTAMQURM-WRMLLFLMSA-N 0 0 568.695 7.042 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652483 554996916 /nfs/dbraw/zinc/99/69/16/554996916.db2.gz SVNNMAXLKBVGHC-ROBPHKHBSA-N 0 0 601.725 7.043 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654276 554997630 /nfs/dbraw/zinc/99/76/30/554997630.db2.gz DOBNJMBPYNCHIW-SSELITHESA-N 0 0 561.059 6.688 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102655415 554998365 /nfs/dbraw/zinc/99/83/65/554998365.db2.gz BZSFQZUWEQNIGH-LODGOHBISA-N 0 0 537.653 5.292 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655728 554998672 /nfs/dbraw/zinc/99/86/72/554998672.db2.gz JDKJQRWSMZONRS-VDGASQMCSA-N 0 0 633.166 7.723 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657819 554999629 /nfs/dbraw/zinc/99/96/29/554999629.db2.gz GYPXYUOVEMRLPW-WGQAXHKASA-N 0 0 516.550 5.394 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(Cl)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000102660021 555000112 /nfs/dbraw/zinc/00/01/12/555000112.db2.gz JIUCMOFQPPNNPR-UOLYYRSISA-N 0 0 519.000 6.302 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102671882 555002700 /nfs/dbraw/zinc/00/27/00/555002700.db2.gz FQDRLVDWJCSRNM-CZNAVJSXSA-N 0 0 542.613 5.826 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000102681954 555006188 /nfs/dbraw/zinc/00/61/88/555006188.db2.gz FTQVTBMLOAFGBN-GIBRFAIWSA-N 0 0 526.772 6.047 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000102690225 555007965 /nfs/dbraw/zinc/00/79/65/555007965.db2.gz MPSSQXCPLPZGCE-VTIYRKAUSA-N 0 0 510.678 8.233 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000102692146 555008636 /nfs/dbraw/zinc/00/86/36/555008636.db2.gz HLGXNAGMLZAFIS-QKJBWNOYSA-N 0 0 544.629 5.874 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102691726 555008653 /nfs/dbraw/zinc/00/86/53/555008653.db2.gz RAGBEVMELIGGAJ-IUKMQXEJSA-N 0 0 530.602 5.511 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102698485 555012195 /nfs/dbraw/zinc/01/21/95/555012195.db2.gz CLJCKWKZFDTLNH-HOGKFDNTSA-N 0 0 536.631 5.572 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102699118 555012385 /nfs/dbraw/zinc/01/23/85/555012385.db2.gz AJXAEYNXIMEYTQ-TXTDGAROSA-N 0 0 515.606 5.431 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102699152 555012449 /nfs/dbraw/zinc/01/24/49/555012449.db2.gz MVKIGOXRTJSYLC-VEZPTTSMSA-N 0 0 533.628 5.657 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102701257 555013076 /nfs/dbraw/zinc/01/30/76/555013076.db2.gz VLUPLJZIPMPMDN-KQAPWQHSSA-N 0 0 514.603 5.865 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102701993 555013147 /nfs/dbraw/zinc/01/31/47/555013147.db2.gz VEAIFWKVYVICDD-AYWGPLOBSA-N 0 0 504.995 6.201 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704957 555013931 /nfs/dbraw/zinc/01/39/31/555013931.db2.gz QXWZMJUCTOQPQB-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102706227 555014852 /nfs/dbraw/zinc/01/48/52/555014852.db2.gz LYQOJHXCNRMPKA-DFXXOVSGSA-N 0 0 508.549 5.730 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102707061 555015398 /nfs/dbraw/zinc/01/53/98/555015398.db2.gz ZISSHDMUPPVREY-RXDXAXPSSA-N 0 0 526.658 6.980 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708286 555015944 /nfs/dbraw/zinc/01/59/44/555015944.db2.gz ZDIAUAGSYICEOT-NXLSWJSLSA-N 0 0 529.574 5.792 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102709569 555016041 /nfs/dbraw/zinc/01/60/41/555016041.db2.gz LVCUJKMETFGRLY-UUALVTFQSA-N 0 0 542.657 6.671 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102711314 555016743 /nfs/dbraw/zinc/01/67/43/555016743.db2.gz PYUVVAGUTZDGQO-IUKMQXEJSA-N 0 0 517.050 7.262 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102711814 555017099 /nfs/dbraw/zinc/01/70/99/555017099.db2.gz RNZJEKGLSICVCV-WGGXKBPPSA-N 0 0 504.586 5.899 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102713120 555017627 /nfs/dbraw/zinc/01/76/27/555017627.db2.gz GMCLIHAILHEBPS-WGGXKBPPSA-N 0 0 522.601 5.855 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000102713436 555017679 /nfs/dbraw/zinc/01/76/79/555017679.db2.gz ZMHKGWCBWVDRGA-AYWGPLOBSA-N 0 0 516.575 5.257 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000102713434 555017713 /nfs/dbraw/zinc/01/77/13/555017713.db2.gz ZMHKGWCBWVDRGA-ZHHPLPSFSA-N 0 0 516.575 5.257 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102714408 555017868 /nfs/dbraw/zinc/01/78/68/555017868.db2.gz BZYYSEGETWHQPL-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714682 555018231 /nfs/dbraw/zinc/01/82/31/555018231.db2.gz BJWHODQGDKLQJI-ONQGDUAMSA-N 0 0 542.657 6.673 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102714946 555018279 /nfs/dbraw/zinc/01/82/79/555018279.db2.gz RODRGXROYRSMTK-TXTDGAROSA-N 0 0 542.035 5.936 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102717103 555018899 /nfs/dbraw/zinc/01/88/99/555018899.db2.gz UCPJGJNKFWNIKT-NXLSWJSLSA-N 0 0 500.620 6.684 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727312 555022361 /nfs/dbraw/zinc/02/23/61/555022361.db2.gz KDIYTGADGKAZIX-HOGKFDNTSA-N 0 0 506.605 5.564 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102727687 555022564 /nfs/dbraw/zinc/02/25/64/555022564.db2.gz JCTBQMDBVHJQSJ-ZHHPLPSFSA-N 0 0 533.447 6.556 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)c1 ZINC000102729942 555023220 /nfs/dbraw/zinc/02/32/20/555023220.db2.gz YTCOMQHNSHOFEQ-NPJIAGGLSA-N 0 0 514.603 6.027 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102730104 555023316 /nfs/dbraw/zinc/02/33/16/555023316.db2.gz KIHRZIWFLDCKRB-WGGXKBPPSA-N 0 0 529.633 5.821 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102730867 555023488 /nfs/dbraw/zinc/02/34/88/555023488.db2.gz TZEUAAWMQKMXIR-ONQGDUAMSA-N 0 0 524.529 5.697 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C)o1 ZINC000102730711 555023524 /nfs/dbraw/zinc/02/35/24/555023524.db2.gz BQRZOHHKVKBODL-UUALVTFQSA-N 0 0 502.611 5.239 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccccc3)cc2)c1 ZINC000102732654 555024108 /nfs/dbraw/zinc/02/41/08/555024108.db2.gz LEFIEPZREBRZGL-DFXXOVSGSA-N 0 0 507.590 5.283 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102732974 555024320 /nfs/dbraw/zinc/02/43/20/555024320.db2.gz WUOFMUXVIGZTKY-CZNAVJSXSA-N 0 0 505.014 5.211 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735297 555025265 /nfs/dbraw/zinc/02/52/65/555025265.db2.gz XESKBVLAHZYSNK-GYBOJBDRSA-N 0 0 531.608 6.211 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735478 555025442 /nfs/dbraw/zinc/02/54/42/555025442.db2.gz KBNHGJJMAILFAX-JNYBUSFRSA-N 0 0 588.685 7.133 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735596 555025788 /nfs/dbraw/zinc/02/57/88/555025788.db2.gz WOTDXPVZNGCLAU-ZTLVYLBESA-N 0 0 514.578 6.002 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735550 555025862 /nfs/dbraw/zinc/02/58/62/555025862.db2.gz AOMFXNQLRZDOAH-NXLSVDECSA-N 0 0 609.103 7.478 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735567 555025901 /nfs/dbraw/zinc/02/59/01/555025901.db2.gz MVXYYBMZRJUPNX-IZSGBISHSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736987 555026388 /nfs/dbraw/zinc/02/63/88/555026388.db2.gz GODSRMBHFPUGCQ-KYWXLPDZSA-N 0 0 518.978 5.605 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccn3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102748795 555043017 /nfs/dbraw/zinc/04/30/17/555043017.db2.gz OCGXTSYOYHEAMQ-AREMUKBSSA-N 0 0 502.640 5.216 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770934 555058650 /nfs/dbraw/zinc/05/86/50/555058650.db2.gz RLIBNWNQZBNIAR-UJWLLDLUSA-N 0 0 545.060 7.023 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770958 555058950 /nfs/dbraw/zinc/05/89/50/555058950.db2.gz FWFREGLYWZXMRU-FZIYRNTBSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771021 555059447 /nfs/dbraw/zinc/05/94/47/555059447.db2.gz IPRDAECSNPLPKC-AIKCTZLLSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771141 555059690 /nfs/dbraw/zinc/05/96/90/555059690.db2.gz PHGPWOXZHLYLPG-BBHOXHGRSA-N 0 0 527.558 5.463 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771188 555059720 /nfs/dbraw/zinc/05/97/20/555059720.db2.gz ZOZYALPVZXONLJ-NIOKHIIOSA-N 0 0 512.587 5.568 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102771378 555060273 /nfs/dbraw/zinc/06/02/73/555060273.db2.gz YEDFYLXKLLYYHG-RKQXULEVSA-N 0 0 512.587 5.568 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000102771554 555060715 /nfs/dbraw/zinc/06/07/15/555060715.db2.gz WVGKVSNEQNZRAE-HWSLEYAISA-N 0 0 502.617 5.924 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799695 555072422 /nfs/dbraw/zinc/07/24/22/555072422.db2.gz DMIPASDLBXREJG-NHFXJNLRSA-N 0 0 525.026 5.815 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Br)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812740 555075268 /nfs/dbraw/zinc/07/52/68/555075268.db2.gz GCTBELDKILZEMM-UHFFFAOYSA-N 0 0 601.526 7.073 50 30 KKEARN COc1ccc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000102846593 555084331 /nfs/dbraw/zinc/08/43/31/555084331.db2.gz YMFCKAOJNDDQTL-MTJSOVHGSA-N 0 0 536.629 6.071 50 30 KKEARN CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)Nc1cccc(C#N)c1 ZINC000102849102 555084646 /nfs/dbraw/zinc/08/46/46/555084646.db2.gz HJRQURHBTLFUBN-NRFANRHFSA-N 0 0 534.682 5.541 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856392 555088099 /nfs/dbraw/zinc/08/80/99/555088099.db2.gz LXOLRMXEMUCSML-HOGKFDNTSA-N 0 0 504.539 5.387 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 ZINC000102858079 555089228 /nfs/dbraw/zinc/08/92/28/555089228.db2.gz DTGNGLLZFKEGDE-AHPONGEQSA-N 0 0 596.650 9.661 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cccc([C@@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)c2)cc1 ZINC000102860523 555090622 /nfs/dbraw/zinc/09/06/22/555090622.db2.gz RJJFTNIJJFRDSA-SANMLTNESA-N 0 0 525.626 6.541 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102861068 555091264 /nfs/dbraw/zinc/09/12/64/555091264.db2.gz AMNFSNAOCTYPLR-JLPDLQRYSA-N 0 0 501.579 5.794 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862383 555092533 /nfs/dbraw/zinc/09/25/33/555092533.db2.gz NUUWVHORENNYLX-CJJGVWJISA-N 0 0 542.657 6.627 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102864020 555093932 /nfs/dbraw/zinc/09/39/32/555093932.db2.gz VLDLJAXXDIQCHU-HOGKFDNTSA-N 0 0 527.802 5.518 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102866336 555095428 /nfs/dbraw/zinc/09/54/28/555095428.db2.gz DKEJIBOAHHVEID-DNNDWWBDSA-N 0 0 542.632 5.605 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102866329 555095478 /nfs/dbraw/zinc/09/54/78/555095478.db2.gz DKEJIBOAHHVEID-QBCYBHDASA-N 0 0 542.632 5.605 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866235 555095503 /nfs/dbraw/zinc/09/55/03/555095503.db2.gz SWYPGKNOVBZZIN-NPJIAGGLSA-N 0 0 546.601 5.347 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102866592 555096135 /nfs/dbraw/zinc/09/61/35/555096135.db2.gz ISWAJVXYKNACPZ-AHPONGEQSA-N 0 0 570.686 5.117 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866907 555096353 /nfs/dbraw/zinc/09/63/53/555096353.db2.gz FQSUBMYJJXMJJN-CJJGVWJISA-N 0 0 574.611 5.197 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102866946 555096444 /nfs/dbraw/zinc/09/64/44/555096444.db2.gz LUXUDNRKJOQGEZ-WGGXKBPPSA-N 0 0 520.585 5.600 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102867177 555096656 /nfs/dbraw/zinc/09/66/56/555096656.db2.gz RIBVZVGGOFRWOL-XXASTYAFSA-N 0 0 556.640 6.099 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102868092 555097525 /nfs/dbraw/zinc/09/75/25/555097525.db2.gz IQMLOSDIHJWWDH-ZORLYMSLSA-N 0 0 547.607 5.701 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102868089 555097593 /nfs/dbraw/zinc/09/75/93/555097593.db2.gz IQMLOSDIHJWWDH-AHPONGEQSA-N 0 0 547.607 5.701 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000102868260 555098004 /nfs/dbraw/zinc/09/80/04/555098004.db2.gz UKEWEEPYOUHBLJ-VEZPTTSMSA-N 0 0 582.623 9.352 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868805 555098132 /nfs/dbraw/zinc/09/81/32/555098132.db2.gz WDAKSWYEFBFCQM-ZZIWUOEGSA-N 0 0 533.005 5.964 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869226 555098515 /nfs/dbraw/zinc/09/85/15/555098515.db2.gz GAUIZDOODRXRBD-ZHHPLPSFSA-N 0 0 518.978 5.656 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102869212 555098609 /nfs/dbraw/zinc/09/86/09/555098609.db2.gz HWNZGBVQPKPOLO-WGGXKBPPSA-N 0 0 543.616 5.310 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869640 555099157 /nfs/dbraw/zinc/09/91/57/555099157.db2.gz WTTCCECBSHTVAU-PDZZUNKHSA-N 0 0 588.657 6.573 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102869629 555099186 /nfs/dbraw/zinc/09/91/86/555099186.db2.gz JNJNJUAKQDAUNX-VEZPTTSMSA-N 0 0 567.594 5.650 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869852 555099426 /nfs/dbraw/zinc/09/94/26/555099426.db2.gz KJLZSQLRWLCGBZ-NYFCFKJUSA-N 0 0 600.693 6.442 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869914 555099644 /nfs/dbraw/zinc/09/96/44/555099644.db2.gz FALOVJUBMUJRHH-JBODOUGHSA-N 0 0 546.576 5.402 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869918 555099706 /nfs/dbraw/zinc/09/97/06/555099706.db2.gz FALOVJUBMUJRHH-ANCNPBKRSA-N 0 0 546.576 5.402 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102870105 555100072 /nfs/dbraw/zinc/10/00/72/555100072.db2.gz VXXGKWCJZVJXKV-NPAJZZOTSA-N 0 0 586.666 6.108 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102870080 555100131 /nfs/dbraw/zinc/10/01/31/555100131.db2.gz VNCIUXHUBGITPF-VMFRQMAUSA-N 0 0 531.605 5.803 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870699 555100947 /nfs/dbraw/zinc/10/09/47/555100947.db2.gz YEOGAGWOQUCRTC-VXJPNWOUSA-N 0 0 568.695 7.123 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102875702 555105855 /nfs/dbraw/zinc/10/58/55/555105855.db2.gz FVBIMBJEGGGAKO-QKJBWNOYSA-N 0 0 514.603 5.947 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102877191 555106532 /nfs/dbraw/zinc/10/65/32/555106532.db2.gz ZMZPCMZZBYMBPS-NXLSWJSLSA-N 0 0 508.018 5.355 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102877990 555107242 /nfs/dbraw/zinc/10/72/42/555107242.db2.gz KSUDEAQMIUKZID-YJMWBXFMSA-N 0 0 511.618 6.201 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878226 555107543 /nfs/dbraw/zinc/10/75/43/555107543.db2.gz AEFZQGTZMQGCDN-UUALVTFQSA-N 0 0 526.545 5.206 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000102878428 555107766 /nfs/dbraw/zinc/10/77/66/555107766.db2.gz NKFRFGKZRSDGOP-VWLOTQADSA-N 0 0 566.078 8.552 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000102879079 555108141 /nfs/dbraw/zinc/10/81/41/555108141.db2.gz AUDKGVBSVVTTQP-MIOXIQPJSA-N 0 0 561.078 5.371 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102879143 555108416 /nfs/dbraw/zinc/10/84/16/555108416.db2.gz POTPGKDNMWKDKM-ZHHPLPSFSA-N 0 0 516.575 5.257 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000102879256 555108457 /nfs/dbraw/zinc/10/84/57/555108457.db2.gz DRXSYDZZWHZNJO-DFXXOVSGSA-N 0 0 533.068 5.991 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102880238 555109259 /nfs/dbraw/zinc/10/92/59/555109259.db2.gz DAPABLJRUAHPRA-SZYGQJGOSA-N 0 0 563.779 8.607 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC ZINC000102880236 555109312 /nfs/dbraw/zinc/10/93/12/555109312.db2.gz DAPABLJRUAHPRA-KFLIVHAJSA-N 0 0 563.779 8.607 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102882012 555110452 /nfs/dbraw/zinc/11/04/52/555110452.db2.gz OFTCAISJJCNFPM-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882538 555110705 /nfs/dbraw/zinc/11/07/05/555110705.db2.gz QNCYMUULJLIJQO-BUANBSPESA-N 0 0 534.590 5.467 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882871 555111369 /nfs/dbraw/zinc/11/13/69/555111369.db2.gz NXAULRNGZPRPIC-SBXHHDGASA-N 0 0 546.601 5.347 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883793 555112293 /nfs/dbraw/zinc/11/22/93/555112293.db2.gz ILTCQIDYJRRCQM-AYWGPLOBSA-N 0 0 520.994 5.902 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102884352 555113231 /nfs/dbraw/zinc/11/32/31/555113231.db2.gz LJGAGEOLJCPNAX-CZNAVJSXSA-N 0 0 574.655 5.910 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884661 555114145 /nfs/dbraw/zinc/11/41/45/555114145.db2.gz SBUCTQDPQWJYEJ-XXAHXYPMSA-N 0 0 604.684 6.834 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102884665 555114277 /nfs/dbraw/zinc/11/42/77/555114277.db2.gz XVHXNBYDRSZXMT-IUKMQXEJSA-N 0 0 560.628 5.574 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102885376 555115529 /nfs/dbraw/zinc/11/55/29/555115529.db2.gz NLKTUMNBVYVAMM-ZORLYMSLSA-N 0 0 552.199 9.551 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102885558 555115658 /nfs/dbraw/zinc/11/56/58/555115658.db2.gz NSYMHDCOSXHFKB-YREDKMEYSA-N 0 0 513.590 5.047 50 30 KKEARN COc1ccc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc1F ZINC000102885758 555116088 /nfs/dbraw/zinc/11/60/88/555116088.db2.gz GZZDEVRCZLKACA-WJOKGBTCSA-N 0 0 542.655 5.022 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102886300 555116672 /nfs/dbraw/zinc/11/66/72/555116672.db2.gz QFWIUGHNMRRFKI-ZHHPLPSFSA-N 0 0 502.523 5.141 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886351 555116955 /nfs/dbraw/zinc/11/69/55/555116955.db2.gz PZDCWPVYYXHEBH-JRPVAJNPSA-N 0 0 528.586 5.263 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887061 555117805 /nfs/dbraw/zinc/11/78/05/555117805.db2.gz JZJGRYSKRWGPNW-VDGASQMCSA-N 0 0 590.657 7.047 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887247 555118474 /nfs/dbraw/zinc/11/84/74/555118474.db2.gz RTHQXQUYQWGYDB-JRWYTTBRSA-N 0 0 598.721 7.050 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887242 555118681 /nfs/dbraw/zinc/11/86/81/555118681.db2.gz AHBQYMOHVRJNBR-DFXXOVSGSA-N 0 0 586.666 6.127 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102887389 555119232 /nfs/dbraw/zinc/11/92/32/555119232.db2.gz OZTDYJQKQYADMJ-CGKJMNDRSA-N 0 0 528.586 5.350 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888740 555122136 /nfs/dbraw/zinc/12/21/36/555122136.db2.gz YRQQHAVJLJHLBP-OGHRCCBNSA-N 0 0 546.645 5.783 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888791 555122235 /nfs/dbraw/zinc/12/22/35/555122235.db2.gz HUUQWLZHHRYXKK-QBTYMPIYSA-N 0 0 575.086 7.078 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888828 555122560 /nfs/dbraw/zinc/12/25/60/555122560.db2.gz ZJTAPFRWBWCSOF-TXTDGAROSA-N 0 0 586.666 6.271 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102888926 555122770 /nfs/dbraw/zinc/12/27/70/555122770.db2.gz FYJDJTKGBZYCRM-RFRSNRLQSA-N 0 0 614.720 6.888 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889901 555124499 /nfs/dbraw/zinc/12/44/99/555124499.db2.gz JDKNVKNBCXBXAQ-WGGXKBPPSA-N 0 0 616.692 6.280 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890080 555124942 /nfs/dbraw/zinc/12/49/42/555124942.db2.gz UPPQUOIYUXXAIC-AMKIGSDESA-N 0 0 606.697 5.765 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102890137 555125036 /nfs/dbraw/zinc/12/50/36/555125036.db2.gz KBARWAYSYVSRCW-SZYGQJGOSA-N 0 0 608.776 8.515 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890078 555125066 /nfs/dbraw/zinc/12/50/66/555125066.db2.gz UPPQUOIYUXXAIC-TVXPFAQOSA-N 0 0 606.697 5.765 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890280 555125339 /nfs/dbraw/zinc/12/53/39/555125339.db2.gz XNSCGMOJARMWEI-JBCNATCCSA-N 0 0 521.392 5.694 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890427 555125652 /nfs/dbraw/zinc/12/56/52/555125652.db2.gz AYNPCPBFCQURER-APJFQNNPSA-N 0 0 626.775 7.686 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890803 555126146 /nfs/dbraw/zinc/12/61/46/555126146.db2.gz USCHGNKNXKGUAN-NXLSVDECSA-N 0 0 616.711 7.353 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891480 555127159 /nfs/dbraw/zinc/12/71/59/555127159.db2.gz FYKAOPJNFUYTGC-CIKQMSCWSA-N 0 0 546.645 5.701 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102891719 555127734 /nfs/dbraw/zinc/12/77/34/555127734.db2.gz ZPMZTXJZJBEZDK-WNQPQFFOSA-N 0 0 526.614 5.953 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1cccc2ccccc21)[C@H](O)c1ccccc1 ZINC000102892539 555128745 /nfs/dbraw/zinc/12/87/45/555128745.db2.gz YTELUSVWOMNINN-AJQTZOPKSA-N 0 0 567.792 7.465 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893203 555130123 /nfs/dbraw/zinc/13/01/23/555130123.db2.gz HJVCROFSPPPJOS-UVBGKEGMSA-N 0 0 582.722 7.432 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894276 555132298 /nfs/dbraw/zinc/13/22/98/555132298.db2.gz ZAAPLIVPEWJEMQ-LLAWDOGUSA-N 0 0 540.641 6.378 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894709 555132917 /nfs/dbraw/zinc/13/29/17/555132917.db2.gz HNJMTSZRYIGONN-MWCANZRFSA-N 0 0 576.671 5.613 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894706 555132954 /nfs/dbraw/zinc/13/29/54/555132954.db2.gz HNJMTSZRYIGONN-OTQMSCLFSA-N 0 0 576.671 5.613 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895306 555134017 /nfs/dbraw/zinc/13/40/17/555134017.db2.gz LXDGEFHFEZQFJQ-IUKMQXEJSA-N 0 0 530.602 5.511 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895298 555134053 /nfs/dbraw/zinc/13/40/53/555134053.db2.gz PIZAIKGBJNXDET-WGQAXHKASA-N 0 0 533.005 5.908 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102895832 555135234 /nfs/dbraw/zinc/13/52/34/555135234.db2.gz HOXMTZNFTJDWBZ-LJAQVGFWSA-N 0 0 574.596 5.323 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896560 555136664 /nfs/dbraw/zinc/13/66/64/555136664.db2.gz NFRFIHANKJLNQM-VDBNUPDGSA-N 0 0 579.653 5.306 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102896818 555136942 /nfs/dbraw/zinc/13/69/42/555136942.db2.gz OZFCZMWGZTVHBU-MIOXIQPJSA-N 0 0 566.695 5.189 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898097 555138144 /nfs/dbraw/zinc/13/81/44/555138144.db2.gz RYSHPFHGJJEEDV-VMFRQMAUSA-N 0 0 568.651 6.071 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898090 555138260 /nfs/dbraw/zinc/13/82/60/555138260.db2.gz RYSHPFHGJJEEDV-WYNCGZBVSA-N 0 0 568.651 6.071 50 30 KKEARN O=C(COc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000102927832 555152670 /nfs/dbraw/zinc/15/26/70/555152670.db2.gz UHWCKANGYTZBEM-UHFFFAOYSA-N 0 0 572.333 5.195 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102928003 555152863 /nfs/dbraw/zinc/15/28/63/555152863.db2.gz VSIZTZYZJJHZEO-WGGXKBPPSA-N 0 0 548.595 5.378 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102928086 555153191 /nfs/dbraw/zinc/15/31/91/555153191.db2.gz HRKGLTHAFCILPP-ONQGDUAMSA-N 0 0 546.620 5.073 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102929121 555154716 /nfs/dbraw/zinc/15/47/16/555154716.db2.gz DEQWBZCLQHZEIN-CZNAVJSXSA-N 0 0 540.443 6.339 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929682 555155473 /nfs/dbraw/zinc/15/54/73/555155473.db2.gz DZHBHQLEOBIKCH-UVDRRRQGSA-N 0 0 529.574 5.846 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929559 555155526 /nfs/dbraw/zinc/15/55/26/555155526.db2.gz RFGCWRKWZAGKMH-JBCNATCCSA-N 0 0 504.608 5.552 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1)CCCC2 ZINC000102931207 555158572 /nfs/dbraw/zinc/15/85/72/555158572.db2.gz HZPSMDFMWFXULM-UHFFFAOYSA-N 0 0 548.042 5.613 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(CCCc3ccccc3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102931455 555158860 /nfs/dbraw/zinc/15/88/60/555158860.db2.gz ONWPSUASEUBBDV-HKBQPEDESA-N 0 0 596.602 5.375 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102932510 555159970 /nfs/dbraw/zinc/15/99/70/555159970.db2.gz PIXXAZXRDKIKOQ-ZLYDLHQSSA-N 0 0 523.626 5.046 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)c(C#N)c1-c1ccccc1 ZINC000102935511 555162914 /nfs/dbraw/zinc/16/29/14/555162914.db2.gz BKYANELUSYETJQ-UHFFFAOYSA-N 0 0 536.613 5.949 50 30 KKEARN CCOC(=O)/C(=C\c1cc(C)n(-c2ccc(I)cc2)c1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102935830 555163148 /nfs/dbraw/zinc/16/31/48/555163148.db2.gz ILRGOLVMHOAAMQ-HMAPJEAMSA-N 0 0 544.345 5.436 50 30 KKEARN CN(C)c1ccc2c(c1)C(=O)/C(=C1\N(C)c3ccccc3C1(C)C)[P@]2(=Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000102937793 555165701 /nfs/dbraw/zinc/16/57/01/555165701.db2.gz RZUWQROLVSGZHP-NBKUMDEKSA-N 0 0 571.618 5.902 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1c(Cl)cccc1Cl)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940313 555168853 /nfs/dbraw/zinc/16/88/53/555168853.db2.gz DZYANTAEYSALDL-QNGWXLTQSA-N 0 0 560.401 5.895 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1c(Cl)cccc1Cl)(N1C[C@@H](C)O[C@H](C)C1)N(C)C(c1ccccc1)=N2 ZINC000102940343 555168902 /nfs/dbraw/zinc/16/89/02/555168902.db2.gz GRTNOZCIGLNSLS-WWPSJXNQSA-N 0 0 570.465 6.533 50 30 KKEARN CCOP(=O)(OCC)C(C)(C)/N=C1\S[C@@](c2ccc(OC)cc2)(C(F)(F)F)NC(=O)N1c1ccccc1 ZINC000102947450 555172196 /nfs/dbraw/zinc/17/21/96/555172196.db2.gz NFBTZLFSRLXSKJ-ZYPBBJIESA-N 0 0 559.547 6.732 50 30 KKEARN CCCCCCCCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)CCC3 ZINC000102957908 555174396 /nfs/dbraw/zinc/17/43/96/555174396.db2.gz FICCAEWKXDVZBL-UHFFFAOYSA-N 0 0 537.673 7.057 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCCC)cc2)cc1 ZINC000102973111 555183050 /nfs/dbraw/zinc/18/30/50/555183050.db2.gz WWSOKLWGOACFKZ-BVRKHOPBSA-N 0 0 561.520 8.215 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NC(Cc3ccccc3)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000102985400 555190515 /nfs/dbraw/zinc/19/05/15/555190515.db2.gz OIARTIKHFIMGHG-UHFFFAOYSA-N 0 0 530.606 5.658 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000102989993 555192076 /nfs/dbraw/zinc/19/20/76/555192076.db2.gz ARVYFXORPNZNIH-UHFFFAOYSA-N 0 0 594.429 5.087 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)CCCCCCC ZINC000102991192 555192460 /nfs/dbraw/zinc/19/24/60/555192460.db2.gz TWURIATYYPYEOW-UHFFFAOYSA-N 0 0 506.618 5.836 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1 ZINC000102991435 555192469 /nfs/dbraw/zinc/19/24/69/555192469.db2.gz BNGHAXRBJUODOF-SSEXGKCCSA-N 0 0 575.577 8.057 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C1CCCCC1 ZINC000102991178 555192488 /nfs/dbraw/zinc/19/24/88/555192488.db2.gz OGYHZYAGUGHGEF-UHFFFAOYSA-N 0 0 526.718 6.390 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000102992379 555193127 /nfs/dbraw/zinc/19/31/27/555193127.db2.gz UHFAJJZOOQSFOE-PTGBLXJZSA-N 0 0 518.708 5.429 50 30 KKEARN CCCCCCCCC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000102995859 555195157 /nfs/dbraw/zinc/19/51/57/555195157.db2.gz TXNFQHRKRYEVFO-UHFFFAOYSA-N 0 0 501.620 6.466 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C1CCCCC1 ZINC000102995592 555195194 /nfs/dbraw/zinc/19/51/94/555195194.db2.gz USQHOTPEONPOOS-UHFFFAOYSA-N 0 0 570.840 7.557 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102996300 555195695 /nfs/dbraw/zinc/19/56/95/555195695.db2.gz KAPNZXXNXXOLGP-NRFANRHFSA-N 0 0 508.644 5.350 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)C ZINC000102997392 555196685 /nfs/dbraw/zinc/19/66/85/555196685.db2.gz RQZRRHZEPUVABH-UHFFFAOYSA-N 0 0 514.707 6.246 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@H](C)CC ZINC000102997456 555197022 /nfs/dbraw/zinc/19/70/22/555197022.db2.gz YPKIUFRCGNCVEA-RUZDIDTESA-N 0 0 528.734 6.636 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102998995 555198438 /nfs/dbraw/zinc/19/84/38/555198438.db2.gz DADZHNJOOLWQEJ-GDLZYMKVSA-N 0 0 514.632 8.200 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000102999004 555198466 /nfs/dbraw/zinc/19/84/66/555198466.db2.gz DCOPXFMEAIYIOV-XIFFEERXSA-N 0 0 580.691 9.460 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2OC)CC1 ZINC000102998973 555198476 /nfs/dbraw/zinc/19/84/76/555198476.db2.gz ANLJYFKGWBEUBK-UHFFFAOYSA-N 0 0 555.785 5.622 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102998991 555198516 /nfs/dbraw/zinc/19/85/16/555198516.db2.gz DADZHNJOOLWQEJ-LJAQVGFWSA-N 0 0 514.632 8.200 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(C)C ZINC000102999474 555199056 /nfs/dbraw/zinc/19/90/56/555199056.db2.gz DYQJVZLACFDGLL-UHFFFAOYSA-N 0 0 502.740 7.574 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000102999597 555199208 /nfs/dbraw/zinc/19/92/08/555199208.db2.gz JYLWAESKIMYRGZ-MUUNZHRXSA-N 0 0 554.728 6.466 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102999622 555199326 /nfs/dbraw/zinc/19/93/26/555199326.db2.gz TUTWKJLEBTUFMV-UHFFFAOYSA-N 0 0 502.671 6.343 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCC(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000102999749 555199409 /nfs/dbraw/zinc/19/94/09/555199409.db2.gz FUPYEWITFQMPKJ-UHFFFAOYSA-N 0 0 551.737 10.177 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)CCCCCCCCCCC ZINC000102999642 555199461 /nfs/dbraw/zinc/19/94/61/555199461.db2.gz ZUTWJVZBEGKONL-UHFFFAOYSA-N 0 0 514.751 7.660 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102999897 555199823 /nfs/dbraw/zinc/19/98/23/555199823.db2.gz VJRTUIOBRBNETI-UHFFFAOYSA-N 0 0 587.212 7.629 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1 ZINC000103000645 555200502 /nfs/dbraw/zinc/20/05/02/555200502.db2.gz LRHQXYZDCXTNSQ-UHFFFAOYSA-N 0 0 616.909 7.903 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCC)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 ZINC000103000697 555200546 /nfs/dbraw/zinc/20/05/46/555200546.db2.gz LDLCBRFCJLIZSY-XIFFEERXSA-N 0 0 575.838 9.175 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000103000649 555200555 /nfs/dbraw/zinc/20/05/55/555200555.db2.gz SFRNOEGPPWUOSB-SSEXGKCCSA-N 0 0 572.831 8.125 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCCN(Cc2cc(=O)c(OCc3ccc(C(F)(F)F)cc3)co2)CC1 ZINC000103000766 555200783 /nfs/dbraw/zinc/20/07/83/555200783.db2.gz UCIIOHXKZOXJGB-UHFFFAOYSA-N 0 0 592.743 7.973 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OCCOCC)nc2-c2ccccc2C)cc1 ZINC000103000903 555200798 /nfs/dbraw/zinc/20/07/98/555200798.db2.gz RJKHGHMHUQQRTC-UHFFFAOYSA-N 0 0 548.772 8.298 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1Cl ZINC000103005729 555203809 /nfs/dbraw/zinc/20/38/09/555203809.db2.gz SYBKRUMDORERTH-KRWDZBQOSA-N 0 0 624.037 5.883 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008438 555205262 /nfs/dbraw/zinc/20/52/62/555205262.db2.gz ICLYCBXNLMBGJM-BUUDZMLXSA-N 0 0 561.009 5.226 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008737 555205448 /nfs/dbraw/zinc/20/54/48/555205448.db2.gz PZCUADRAEPAXCY-BIYCFNCWSA-N 0 0 619.089 6.015 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103014910 555208523 /nfs/dbraw/zinc/20/85/23/555208523.db2.gz IYTLBCKHWHYGJS-ZYKLXPEUSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000103014888 555208546 /nfs/dbraw/zinc/20/85/46/555208546.db2.gz JUZBEWOKLQXTOU-CTUHWIOQSA-N 0 0 611.547 6.582 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015560 555208897 /nfs/dbraw/zinc/20/88/97/555208897.db2.gz NPHCNTKBCLPTLM-UKDVSSAZSA-N 0 0 596.627 5.693 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103016398 555209552 /nfs/dbraw/zinc/20/95/52/555209552.db2.gz RFJCOWNPDHZBGY-FTBPSBKWSA-N 0 0 611.547 6.582 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103016941 555209837 /nfs/dbraw/zinc/20/98/37/555209837.db2.gz FPGXNXORBPMIHG-UHFFFAOYSA-N 0 0 514.710 6.600 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103017097 555210000 /nfs/dbraw/zinc/21/00/00/555210000.db2.gz SUPOTKFPUMDACT-ZFJSRUIDSA-N 0 0 582.600 5.514 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022472 555213627 /nfs/dbraw/zinc/21/36/27/555213627.db2.gz SOAQWZBOIJOQIB-URAKLDTCSA-N 0 0 533.577 5.326 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000103026927 555216755 /nfs/dbraw/zinc/21/67/55/555216755.db2.gz QUQYACNPLVARTE-UHFFFAOYSA-N 0 0 557.122 6.117 50 30 KKEARN CCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)Nc1cccc(C#N)c1 ZINC000103035075 555222365 /nfs/dbraw/zinc/22/23/65/555222365.db2.gz VYWCUVNJTPCUJR-UHFFFAOYSA-N 0 0 601.059 5.910 50 30 KKEARN CCc1nc(CC#N)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000103056901 555237949 /nfs/dbraw/zinc/23/79/49/555237949.db2.gz CTKZJXQTSQLNQD-UHFFFAOYSA-N 0 0 527.978 5.330 50 30 KKEARN CCCCCCCC(=O)N(CCCOC)CC(=O)N(CCCC)Cc1cccn1Cc1ccc(Br)cc1 ZINC000103065883 555246316 /nfs/dbraw/zinc/24/63/16/555246316.db2.gz NKZPJPQZDZJCKZ-UHFFFAOYSA-N 0 0 576.620 6.653 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000103066868 555247141 /nfs/dbraw/zinc/24/71/41/555247141.db2.gz ZONJXBFYSLWOFU-UHFFFAOYSA-N 0 0 561.630 5.192 50 30 KKEARN CCCCCCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000103070023 555250892 /nfs/dbraw/zinc/25/08/92/555250892.db2.gz SWPCYXRQVPCOQF-FQEVSTJZSA-N 0 0 539.767 7.019 50 30 KKEARN C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000103071959 555252063 /nfs/dbraw/zinc/25/20/63/555252063.db2.gz TWIHEBATAKXRHC-VWLOTQADSA-N 0 0 560.123 7.145 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)[C@@H]3c1ccc(C(F)(F)F)cc1 ZINC000103074310 555254068 /nfs/dbraw/zinc/25/40/68/555254068.db2.gz JVVVJMHGQRTERZ-XMMPIXPASA-N 0 0 536.447 7.141 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1 ZINC000103080555 555259279 /nfs/dbraw/zinc/25/92/79/555259279.db2.gz ICGOHTWAWSJMBT-UHFFFAOYSA-N 0 0 627.546 6.831 50 30 KKEARN COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2sccc2C#N)cc(OC)c1OC ZINC000103081544 555260118 /nfs/dbraw/zinc/26/01/18/555260118.db2.gz HKFQFEUUKOBUAU-LDADJPATSA-N 0 0 555.612 5.476 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000103082654 555261509 /nfs/dbraw/zinc/26/15/09/555261509.db2.gz YQTLBSZMODXCQN-MAAWUACBSA-N 0 0 523.832 6.148 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000103103342 555280962 /nfs/dbraw/zinc/28/09/62/555280962.db2.gz SKPQJSOCICRITL-GOSISDBHSA-N 0 0 540.755 5.773 50 30 KKEARN Cc1cc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)cc(Cl)n1 ZINC000103106819 555283228 /nfs/dbraw/zinc/28/32/28/555283228.db2.gz ZVGREOAWSQTDKX-UHFFFAOYSA-N 0 0 555.034 5.072 50 30 KKEARN CCc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)CC)C4)n(C3CCCCC3)c(=O)c2c1C ZINC000103117343 555288900 /nfs/dbraw/zinc/28/89/00/555288900.db2.gz IBTUXDIQHIZQDI-IBGZPJMESA-N 0 0 596.888 8.039 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000103124414 555292027 /nfs/dbraw/zinc/29/20/27/555292027.db2.gz NBZHZCVDWAGALP-UHFFFAOYSA-N 0 0 574.545 5.810 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccccc1 ZINC000103124418 555292037 /nfs/dbraw/zinc/29/20/37/555292037.db2.gz OZLKXLMUBJDMHY-UHFFFAOYSA-N 0 0 531.520 6.711 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cc(=O)c(OCc3ccc(C(F)(F)F)cc3)co2)CC1 ZINC000103131022 555300197 /nfs/dbraw/zinc/30/01/97/555300197.db2.gz CFLJVHSGZWRLGH-UHFFFAOYSA-N 0 0 608.457 6.233 50 30 KKEARN CCOc1ccccc1-c1cc(-c2nnc(SCc3cccc(C#N)c3)n2C)c2ccc(Oc3ccccc3)cc2n1 ZINC000103137848 555308124 /nfs/dbraw/zinc/30/81/24/555308124.db2.gz ZOAXUEBQIOYRKC-UHFFFAOYSA-N 0 0 569.690 8.052 50 30 KKEARN CCCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccccc2F)C1=O ZINC000103140857 555310481 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571410665 /nfs/dbraw/zinc/41/06/65/571410665.db2.gz XSZSFZKPYAXJIB-LCQQBMRFSA-N 0 0 557.444 5.781 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000106022381 571411072 /nfs/dbraw/zinc/41/10/72/571411072.db2.gz FRPPLAWOEPCRGN-DPDJPZQYSA-N 0 0 527.590 6.892 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000109234660 571428687 /nfs/dbraw/zinc/42/86/87/571428687.db2.gz HTYMLGWCSOOUDV-UHFFFAOYSA-N 0 0 594.567 6.709 50 30 KKEARN C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000110426871 571431185 /nfs/dbraw/zinc/43/11/85/571431185.db2.gz VLBVFHLLAMJJGF-LQKURTRISA-N 0 0 523.452 6.413 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccc3ccccc32)cc1-c1ccc(F)cc1F ZINC000113480389 571438927 /nfs/dbraw/zinc/43/89/27/571438927.db2.gz IADCJWREMWHZKQ-UHFFFAOYSA-N 0 0 523.520 7.591 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](SC(=NC#N)Nc3ccccc3)C1=O)C[C@H](c1ccccc1)CC2 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Cc1cc(F)ccc1[C@H]1CC(=O)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000116131702 571443357 /nfs/dbraw/zinc/44/33/57/571443357.db2.gz GMZGGIIEDNOWCW-SPLOXXLWSA-N 0 0 504.446 6.691 50 30 KKEARN CCCCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F ZINC000118920944 571445943 /nfs/dbraw/zinc/44/59/43/571445943.db2.gz QSVWZQPYLRJDCO-CXGHSQGLSA-N 0 0 602.740 5.949 50 30 KKEARN CC(=CC=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000135730963 571448937 /nfs/dbraw/zinc/44/89/37/571448937.db2.gz NZEPSBGUXWWWSI-FWFPOGQTSA-N 0 0 616.883 8.121 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000136676607 571449664 /nfs/dbraw/zinc/44/96/64/571449664.db2.gz NZAJAIHYBJZJLJ-FCCLLSDDSA-N 0 0 574.762 9.054 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000145737976 571456626 /nfs/dbraw/zinc/45/66/26/571456626.db2.gz OQOVCWSCIMIYJD-XLJNKUFUSA-N 0 0 591.830 7.646 50 30 KKEARN CCCCCCCCCCCCc1cc(I)c(CCCCCCCCCCCC)cc1I ZINC000150339649 571457538 /nfs/dbraw/zinc/45/75/38/571457538.db2.gz BONMOXZHNZXHRN-UHFFFAOYSA-N 0 0 666.554 11.823 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000150341037 571458038 /nfs/dbraw/zinc/45/80/38/571458038.db2.gz XLDCRDVOTVYYPR-UHFFFAOYSA-N 0 0 698.986 8.889 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344115 571459170 /nfs/dbraw/zinc/45/91/70/571459170.db2.gz MEXQRXXROOSHGK-GGYZBZRZSA-N 0 0 950.120 11.001 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(I)c(OC)c(I)c2)S/C1=N\c1ccccc1 ZINC000150345089 571459758 /nfs/dbraw/zinc/45/97/58/571459758.db2.gz LUTMLALJKNZBIP-FWBDJVAPSA-N 0 0 620.250 5.155 50 30 KKEARN CCCCCCCCCCCC[C@@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150345290 571459826 /nfs/dbraw/zinc/45/98/26/571459826.db2.gz JQADLJKVUIDLRH-UUWRZZSWSA-N 0 0 778.649 12.163 50 30 KKEARN O=C(c1ccc(Br)cc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150345603 571459945 /nfs/dbraw/zinc/45/99/45/571459945.db2.gz ZZUHWLUVQQXPAI-PSASIEDQSA-N 0 0 635.064 7.504 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 ZINC000150348470 571461216 /nfs/dbraw/zinc/46/12/16/571461216.db2.gz IRTYNBLEICJIMU-KWSSJOFQSA-N 0 0 727.365 9.059 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348882 571461287 /nfs/dbraw/zinc/46/12/87/571461287.db2.gz OMRGHJLAKQRYQD-AVRJXOLHSA-N 0 0 681.192 8.557 50 30 KKEARN Cc1[nH]c2ccc(Br)cc2c1CCNC(c1ccc(F)cc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348894 571461363 /nfs/dbraw/zinc/46/13/63/571461363.db2.gz GAGYOMMSOVGADA-OXKNFPIISA-N 0 0 637.509 7.226 50 30 KKEARN Cc1cc(C)c(/C=N/c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(/N=C/c6c(C)cc(C)cc6C)cc5)cc4)cc3)cc2)c(C)c1 ZINC000150349554 571461531 /nfs/dbraw/zinc/46/15/31/571461531.db2.gz HYRHVSQOGOKHTL-BNULZCHRSA-N 0 0 670.897 12.949 50 30 KKEARN Cc1ccc(/N=C/c2cc(Cc3ccc(OC(=O)/C=C/c4ccccc4)c(/C=N\c4ccc(C)cc4C)c3)ccc2OC(=O)/C=C/c2ccccc2)c(C)c1 ZINC000150352027 571462341 /nfs/dbraw/zinc/46/23/41/571462341.db2.gz LORHUYQFERLTDF-CIDVXALCSA-N 0 0 722.885 11.250 50 30 KKEARN O=C(COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OCC(=O)N5CCCCC5)cc4)cc3)cc2)cc1)N1CCCCC1 ZINC000150353209 571462646 /nfs/dbraw/zinc/46/26/46/571462646.db2.gz YBIIJXUNLZIZPZ-CTQPMARESA-N 0 0 642.800 7.637 50 30 KKEARN C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@H]3C=C(COC(=O)Cc1cc(OC)c(O)cc1I)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000150353246 571462726 /nfs/dbraw/zinc/46/27/26/571462726.db2.gz IITCVPTZKLXSKQ-NGQYBKDNSA-N 0 0 754.614 5.349 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(I)cc4)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000150357177 571463392 /nfs/dbraw/zinc/46/33/92/571463392.db2.gz XHYQJBMPHGBAJA-WKULSOCRSA-N 0 0 639.544 6.180 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000150358085 571463451 /nfs/dbraw/zinc/46/34/51/571463451.db2.gz HDMDOHVMZRLQGK-VVEOGCPPSA-N 0 0 687.439 6.806 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3cccc(N4C(=O)C[C@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)c3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000150369465 571465471 /nfs/dbraw/zinc/46/54/71/571465471.db2.gz OTUJGBMKONUWEU-HNRBIFIRSA-N 0 0 840.834 8.563 50 30 KKEARN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c1 ZINC000150369871 571465590 /nfs/dbraw/zinc/46/55/90/571465590.db2.gz NBNLNYUKNSLLRI-UHFFFAOYSA-N 0 0 633.401 8.194 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc(OC)c1OC ZINC000150376326 571466361 /nfs/dbraw/zinc/46/63/61/571466361.db2.gz PPJAPOVNCNPISZ-XQHRPIBOSA-N 0 0 642.796 8.624 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@@H](c1ccc(Br)cc1)S[C@H]2c1ccc(Br)cc1 ZINC000150382462 571467245 /nfs/dbraw/zinc/46/72/45/571467245.db2.gz FOEHBYHVSZHDSR-ZEQRLZLVSA-N 0 0 669.489 8.392 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000150384858 571468419 /nfs/dbraw/zinc/46/84/19/571468419.db2.gz UEJHZXGGYAISSA-FPNNDXFKSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000150385497 571468836 /nfs/dbraw/zinc/46/88/36/571468836.db2.gz QSTAMEPSOLLUIP-KSNOWIBYSA-N 0 0 629.537 6.721 50 30 KKEARN O=S(=O)(N=C(Nc1ccc(-c2ccc(NC(=NS(=O)(=O)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1)c1ccccc1 ZINC000150389841 571472083 /nfs/dbraw/zinc/47/20/83/571472083.db2.gz VACYPCLRFYNCPI-UHFFFAOYSA-N 0 0 670.816 7.849 50 30 KKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C[C@]1(c1nc(-c2ccc(Cl)cc2)cs1)c1nc2ccccc2c(=O)[nH]1 ZINC000150390245 571472514 /nfs/dbraw/zinc/47/25/14/571472514.db2.gz RVVAMBDWWDFMES-WJOKGBTCSA-N 0 0 628.566 7.106 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 ZINC000150390700 571472943 /nfs/dbraw/zinc/47/29/43/571472943.db2.gz VUQMHOVKFSRDHQ-WOJBJXKFSA-N 0 0 645.199 6.268 50 30 KKEARN COc1ccccc1C(=O)NC(=S)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000150392992 571474709 /nfs/dbraw/zinc/47/47/09/571474709.db2.gz KZQUQFWAYHMCDB-UHFFFAOYSA-N 0 0 636.386 6.881 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)ccc1Cl ZINC000150393281 571474928 /nfs/dbraw/zinc/47/49/28/571474928.db2.gz NKYOGKVHXUIEGV-RTBURBONSA-N 0 0 679.644 6.922 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150395152 571475828 /nfs/dbraw/zinc/47/58/28/571475828.db2.gz SNPUTNQLXGUHQM-UVDDSOTQSA-N 0 0 648.550 6.589 50 30 KKEARN Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1C ZINC000150397232 571476900 /nfs/dbraw/zinc/47/69/00/571476900.db2.gz WCSJXLRHKBVZDF-UHFFFAOYSA-N 0 0 634.414 7.489 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@H]2OC(c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)=NN2C(C)=O)c1C#N ZINC000150400243 571477908 /nfs/dbraw/zinc/47/79/08/571477908.db2.gz VRONAEJTMQRYOI-RUZDIDTESA-N 0 0 664.340 6.010 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150400404 571478042 /nfs/dbraw/zinc/47/80/42/571478042.db2.gz JCHJDZDRCWEQQN-APYJYERMSA-N 0 0 648.550 6.589 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150400398 571478090 /nfs/dbraw/zinc/47/80/90/571478090.db2.gz JCHJDZDRCWEQQN-KCEHZKJRSA-N 0 0 648.550 6.589 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000150409767 571482092 /nfs/dbraw/zinc/48/20/92/571482092.db2.gz AOELLSRNDQRGSZ-IIMAJNMQSA-N 0 0 634.523 6.156 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000150409883 571482260 /nfs/dbraw/zinc/48/22/60/571482260.db2.gz LEUGNMNNQDGLGD-UHFFFAOYSA-N 0 0 697.235 5.620 50 30 KKEARN CC1(C)[C@@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000150413173 571484682 /nfs/dbraw/zinc/48/46/82/571484682.db2.gz LTADMUNPSAKPHW-JOCHJYFZSA-N 0 0 634.499 8.213 50 30 KKEARN CC1(C)[C@@H](n2oc(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000150415613 571485459 /nfs/dbraw/zinc/48/54/59/571485459.db2.gz RPLLGDZEJFCJFH-HSZRJFAPSA-N 0 0 624.513 6.231 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OC(C)C)c1C ZINC000150421756 571487889 /nfs/dbraw/zinc/48/78/89/571487889.db2.gz LNSHLIHMTZGRBS-UHFFFAOYSA-N 0 0 644.450 6.781 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422263 571488206 /nfs/dbraw/zinc/48/82/06/571488206.db2.gz LLZXFOFHTIFZMK-ZRUWLVFBSA-N 0 0 642.774 7.468 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422333 571488375 /nfs/dbraw/zinc/48/83/75/571488375.db2.gz BVDHMYYHSNTMIR-AHPONGEQSA-N 0 0 644.746 6.916 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000150425159 571489502 /nfs/dbraw/zinc/48/95/02/571489502.db2.gz FWZRDDQXKMGYIS-KLFBTDGFSA-N 0 0 645.752 7.267 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)c(N)c32)cc1OC ZINC000150425670 571489834 /nfs/dbraw/zinc/48/98/34/571489834.db2.gz HOIHKNLAZRYSON-XDJHFCHBSA-N 0 0 653.804 9.502 50 30 KKEARN C[C@@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cc2ccc(NC(=O)CSC(=S)N3CCCC[C@@H]3C)c(C#N)c2)cc1C#N ZINC000150427505 571491534 /nfs/dbraw/zinc/49/15/34/571491534.db2.gz FTDUDUPHZFGYMZ-ZRZAMGCNSA-N 0 0 678.975 6.683 50 30 KKEARN CCOc1ccc2s/c(=N\C(=O)C(C)(C)Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)n(C(=O)C(C)(C)Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)c2c1 ZINC000150427794 571491762 /nfs/dbraw/zinc/49/17/62/571491762.db2.gz STRBQAYNAXOASM-PCIFVOTLSA-N 0 0 903.015 11.339 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150428630 571492255 /nfs/dbraw/zinc/49/22/55/571492255.db2.gz UUGCVEQXKTZKHH-KEVKATSASA-N 0 0 622.302 6.134 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150429220 571492642 /nfs/dbraw/zinc/49/26/42/571492642.db2.gz IVOAZOYQLSVSBL-WSEBHVOGSA-N 0 0 662.334 5.598 50 30 KKEARN FC(F)(F)COc1nc(NCCCCCNc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000150434335 571494930 /nfs/dbraw/zinc/49/49/30/571494930.db2.gz CGTYBVAECOBYTF-UHFFFAOYSA-N 0 0 857.579 8.906 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1cccc2ccccc21 ZINC000150435043 571495051 /nfs/dbraw/zinc/49/50/51/571495051.db2.gz FWDQFCWNNDHELX-ODSXNOBESA-N 0 0 634.754 5.972 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150438945 571497233 /nfs/dbraw/zinc/49/72/33/571497233.db2.gz BFYBGFYJVQTRFE-RNVVJFJRSA-N 0 0 677.782 6.548 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453793 571503826 /nfs/dbraw/zinc/50/38/26/571503826.db2.gz OFSFZJIZXPIFLN-XSYNSRRPSA-N 0 0 648.737 7.232 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)cc(I)c2OCc2ccccc2)c1C#N ZINC000150465993 571507937 /nfs/dbraw/zinc/50/79/37/571507937.db2.gz YZXGVHVZUNIRDP-KKMKTNMSSA-N 0 0 638.247 5.642 50 30 KKEARN Cc1ccc(-c2oc(N(C(=O)c3cncc(Br)c3)C(=O)c3cncc(Br)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000150465904 571507957 /nfs/dbraw/zinc/50/79/57/571507957.db2.gz XOVFVLKFXRQVSQ-UHFFFAOYSA-N 0 0 656.334 7.904 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000150467864 571508245 /nfs/dbraw/zinc/50/82/45/571508245.db2.gz XUEDUGYOMRAVLH-GHRAFVERSA-N 0 0 648.550 6.459 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000150472570 571509907 /nfs/dbraw/zinc/50/99/07/571509907.db2.gz AZXSNBDMSYYFJF-BZFILIQBSA-N 0 0 661.861 8.094 50 30 KKEARN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2cccc(F)c2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484753 571515323 /nfs/dbraw/zinc/51/53/23/571515323.db2.gz ZWTHBPAAKWWOCF-UFBKIKKCSA-N 0 0 624.162 9.157 50 30 KKEARN COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@@](O)(c3ccccc3)C[C@@H](c3ccc(OC)cc3)[C@]2(C#N)c2ccc(Br)cc2)cc1 ZINC000150493437 571517378 /nfs/dbraw/zinc/51/73/78/571517378.db2.gz QIIQFPAYJLOYOF-OFXSLFESSA-N 0 0 672.619 8.586 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000150494159 571517563 /nfs/dbraw/zinc/51/75/63/571517563.db2.gz SNZKXROYLGSZTB-ADNFFOSISA-N 0 0 825.208 10.556 50 30 KKEARN CCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150495605 571517809 /nfs/dbraw/zinc/51/78/09/571517809.db2.gz JNQUOOMSBMKUTE-XMMPIXPASA-N 0 0 710.574 11.213 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509439 571519592 /nfs/dbraw/zinc/51/95/92/571519592.db2.gz OVYADSCBGFDTPC-OLILMLBXSA-N 0 0 644.559 5.900 50 30 KKEARN O=C(/C=C/c1ccccc1)Oc1ccc(C2(c3ccc(OC(=O)/C=C\c4ccccc4)c(Br)c3)OS(=O)(=O)c3ccccc32)cc1Br ZINC000150552516 571520809 /nfs/dbraw/zinc/52/08/09/571520809.db2.gz IVOJBNNEXDAPMM-KBNZVFGVSA-N 0 0 772.467 8.460 50 30 KKEARN [O-][N+]1(Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000150566199 571521133 /nfs/dbraw/zinc/52/11/33/571521133.db2.gz BKJHHSYHAAFSPB-UHFFFAOYSA-N 0 0 670.572 9.091 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150565059 571521208 /nfs/dbraw/zinc/52/12/08/571521208.db2.gz DFWGLDMQBSRTKG-GOQPZEPVSA-N 0 0 632.742 5.224 50 30 KKEARN CCCCCCCCCCCCCCCC[S@@](=O)Oc1cccc(S(=O)(=O)N/N=c2/sc3ccc(S(=O)(=O)C(F)F)cc3n2C)c1 ZINC000150575188 571521460 /nfs/dbraw/zinc/52/14/60/571521460.db2.gz WZOAMBYRPWKELU-LCTSFIIXSA-N 0 0 721.980 7.554 50 30 KKEARN Cc1nc(NC(=S)NC(=O)CCCCCCCCC(=O)NC(=S)Nc2nc(C)c(C(=O)C=Cc3ccco3)s2)sc1C(=O)C=Cc1ccco1 ZINC000150584510 571521890 /nfs/dbraw/zinc/52/18/90/571521890.db2.gz ZSARJKYQMPBYBX-YTEMWHBBSA-N 0 0 752.966 7.642 50 30 KKEARN C=CCN1C(=O)S/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)C1=O ZINC000150596547 571522391 /nfs/dbraw/zinc/52/23/91/571522391.db2.gz PUKCOELLAPQVKC-NVMNQCDNSA-N 0 0 628.229 5.569 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000150606725 571522695 /nfs/dbraw/zinc/52/26/95/571522695.db2.gz KZPBWTRQWVHPPQ-DWBFVIGNSA-N 0 0 704.805 5.458 50 30 KKEARN CCCCCCCCCC/C=C\CCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150608107 571522889 /nfs/dbraw/zinc/52/28/89/571522889.db2.gz PZHJQLHKUROTRN-FJIRUFBNSA-N 0 0 708.558 10.989 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000150612938 571523036 /nfs/dbraw/zinc/52/30/36/571523036.db2.gz UGJKPKPIWJIAQC-HSZRJFAPSA-N 0 0 662.937 8.871 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(C(F)(F)F)C(F)(F)N2C(F)(F)C(F)(F)N(C(F)(F)[C@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)cc1 ZINC000150627854 571523829 /nfs/dbraw/zinc/52/38/29/571523829.db2.gz YWFHWZFZHNROLA-ROUUACIJSA-N 0 0 828.398 7.997 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(C(F)(F)F)C(F)(F)N2C(F)(F)C(F)(F)N(C(F)(F)[C@@](F)(C(=O)Nc3ccc(OC)cc3)C(F)(F)F)C(F)(F)C2(F)F)cc1 ZINC000150627847 571523836 /nfs/dbraw/zinc/52/38/36/571523836.db2.gz YWFHWZFZHNROLA-HDICACEKSA-N 0 0 828.398 7.997 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000150628709 571523896 /nfs/dbraw/zinc/52/38/96/571523896.db2.gz OVCASUMZZJVEKE-UHFFFAOYSA-N 0 0 728.168 12.021 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)N/N=c2/sc3ccc(S(=O)(=O)N4CCCCC4)cc3n2C)cc1NC(C)=O ZINC000150640977 571524619 /nfs/dbraw/zinc/52/46/19/571524619.db2.gz FNSUVGQTLSHVLZ-NHFVQZBWSA-N 0 0 812.159 7.422 50 30 KKEARN Cc1ccc(N2/C(=N\c3ccccc3)SC/C=C\CS/C(=N/c3ccccc3)N(c3ccc(C)cc3)/C(N(C)c3ccccc3)=C\2N(C)c2ccccc2)cc1 ZINC000150653869 571526334 /nfs/dbraw/zinc/52/63/34/571526334.db2.gz LPPJANLELVAQFQ-KGJNLWCUSA-N 0 0 771.072 12.427 50 30 KKEARN CC(=O)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OS(C)(=O)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000150663593 571528183 /nfs/dbraw/zinc/52/81/83/571528183.db2.gz HHHWOJPZAAIUTQ-LRHJBHCZSA-N 0 0 721.872 6.372 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 ZINC000150663927 571528453 /nfs/dbraw/zinc/52/84/53/571528453.db2.gz VUQMHOVKFSRDHQ-VQTJNVASSA-N 0 0 645.199 6.268 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000159440382 571530341 /nfs/dbraw/zinc/53/03/41/571530341.db2.gz FLPUMUBDOSZEAH-DGBHDHARSA-N 0 0 688.806 5.840 50 30 KKEARN COc1ccc(C(=O)O[C@H](COc2ccc(/C=C/C(=O)c3ccccc3)cc2)COc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000161396772 571531024 /nfs/dbraw/zinc/53/10/24/571531024.db2.gz QQKORBCYGKFQEE-WCSRDGSESA-N 0 0 638.716 8.171 50 30 KKEARN Cc1ccc(Nc2c(Nc3ccc(NC=C4C=Cc5ccccc5C4=O)cc3)cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000162721671 571532552 /nfs/dbraw/zinc/53/25/52/571532552.db2.gz PKCFLRHPPXMPQR-UZYVYHOESA-N 0 0 720.623 9.160 50 30 KKEARN C=C[C@H](OCc1ccc(OC)cc1)[C@](COCc1ccc(OC)cc1)(OCc1ccccc1)[C@H]1CC=C2CC[C@@H]([C@@H](OCc3ccc(OC)cc3)C(=O)[C@H]1C)C2(C)C ZINC000164594500 571550257 /nfs/dbraw/zinc/55/02/57/571550257.db2.gz KCVFDVJMDYGMBE-ZDVDVBSXSA-N 0 0 789.022 10.129 50 30 KKEARN O=C(c1ccccc1)C1=CN2c3ccccc3S[C@](O)(c3ccccc3)[C@@H]2[C@@H]2Sc3ccccc3N12 ZINC000169450623 571553413 /nfs/dbraw/zinc/55/34/13/571553413.db2.gz JXOIQUZEKCZCFN-OIFRRMEBSA-N 0 0 506.652 6.489 50 30 KKEARN CSc1nc2c(c(C#N)nn2[C@@H]2C[C@@H](OC(=O)c3ccc(C)cc3)[C@@H](COC(=O)c3ccc(C)cc3)O2)c(SC)n1 ZINC000169616972 571553819 /nfs/dbraw/zinc/55/38/19/571553819.db2.gz DJEFRDMMTKQMEN-ZLNRFVROSA-N 0 0 589.699 5.129 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@@H]1CCCC[C@@H]1[S@@](=O)Cc1ccccc1 ZINC000169618333 571554007 /nfs/dbraw/zinc/55/40/07/571554007.db2.gz LWFZMPQZNNSCAO-KLRIGICCSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@@H](C(=O)OCC)c3cc(OC)ccc3OC)C2)cc1 ZINC000169679196 571556242 /nfs/dbraw/zinc/55/62/42/571556242.db2.gz ABFAPNWMYHYEOV-NDDXJGTKSA-N 0 0 523.670 6.074 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21 ZINC000169682969 571557930 /nfs/dbraw/zinc/55/79/30/571557930.db2.gz BCKTZPLYWGTAPU-DJOAIXOZSA-N 0 0 512.772 7.661 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000169688921 571558482 /nfs/dbraw/zinc/55/84/82/571558482.db2.gz ZUISLRHBEHGXKF-RJGXRXQPSA-N 0 0 534.981 5.111 50 30 KKEARN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000170620721 571562636 /nfs/dbraw/zinc/56/26/36/571562636.db2.gz KPONMRUJQNUCBT-ISJGIBHGSA-N 0 0 550.036 5.220 50 30 KKEARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000198685646 571567956 /nfs/dbraw/zinc/56/79/56/571567956.db2.gz NVEDMRLUKBEWQD-RPWUZVMVSA-N 0 0 740.736 9.902 50 30 KKEARN O=C(c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1)[C@@H]1O[C@@H]1c1ccc(Br)cc1 ZINC000198685276 571568082 /nfs/dbraw/zinc/56/80/82/571568082.db2.gz RHWSDQDZWKQZSM-PKTZIBPZSA-N 0 0 525.196 6.043 50 30 KKEARN O=C(/C(=N\Nc1ccc(Br)cc1)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 ZINC000198716458 571568731 /nfs/dbraw/zinc/56/87/31/571568731.db2.gz ROJSUTLULACZRD-LHLOQNFPSA-N 0 0 525.344 5.203 50 30 KKEARN COc1ccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1Cn1nc(C)cc1C ZINC000205930474 571572176 /nfs/dbraw/zinc/57/21/76/571572176.db2.gz DOOUOMORGSBZJJ-MXVLDECFSA-N 0 0 514.710 6.443 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)Nc3cccc4ncccc43)n2)cc1 ZINC000215676150 571584692 /nfs/dbraw/zinc/58/46/92/571584692.db2.gz XXVHDPLGRUUWOT-UHFFFAOYSA-N 0 0 516.626 6.883 50 30 KKEARN CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000215717634 571585126 /nfs/dbraw/zinc/58/51/26/571585126.db2.gz BZTOFKRJSWEMKV-XUBXPIFFSA-N 0 0 509.100 7.053 50 30 KKEARN CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C#N)cc1 ZINC000215734291 571585480 /nfs/dbraw/zinc/58/54/80/571585480.db2.gz XEIRANJTZWAXSK-UHFFFAOYSA-N 0 0 511.529 5.827 50 30 KKEARN Fc1c(F)c(F)c(C2=c3cc4c(cc3-c3ccccc32)=C(c2c(F)c(F)c(F)c(F)c2F)c2ccccc2-4)c(F)c1F ZINC000215868294 571586329 /nfs/dbraw/zinc/58/63/29/571586329.db2.gz OXAQTDQMTJVZOI-UHFFFAOYSA-N 0 0 584.412 7.533 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000225218958 571659107 /nfs/dbraw/zinc/65/91/07/571659107.db2.gz QKQNOFCJKOGRRS-OGQOOFKISA-N 0 0 600.513 5.847 50 30 KKEARN Cc1c(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)c2ccccc2n1CC(=O)NCc1ccco1 ZINC000225386001 571754738 /nfs/dbraw/zinc/75/47/38/571754738.db2.gz HZVQKFRSLCVVSY-SZWOAXKJSA-N 0 0 519.026 5.746 50 30 KKEARN CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000225411244 571779241 /nfs/dbraw/zinc/77/92/41/571779241.db2.gz PAUJHKJHBSBARW-AZIXZEHSSA-N 0 0 604.744 5.561 50 30 biogenic KKEARN C[C@H]1CC(=O)C=C2CC[C@H]3[C@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@@H]7CC[C@]56C)[C@@]4(C)CC[C@H]3[C@]21C ZINC000261490469 572109136 /nfs/dbraw/zinc/10/91/36/572109136.db2.gz SUDAZYBPONYEQT-WSKLADGRSA-N 0 0 596.900 9.339 50 30 KKEARN CCCC[C@H]1SC(C)=NN1C(=Nc1nnc(C)s1)N1CCN(/C(=N\c2nnc(C)s2)N2N=C(C)S[C@@H]2CCCC)CC1 ZINC000261490475 572109686 /nfs/dbraw/zinc/10/96/86/572109686.db2.gz ACNPSQNUHHEKEK-INCJAANLSA-N 0 0 648.958 6.096 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\N=c3sc4ccccc4n3C)N\2c2ccccc2)cc1 ZINC000261490495 572109796 /nfs/dbraw/zinc/10/97/96/572109796.db2.gz JAMLGSMXQZVMAF-XPDOSAHNSA-N 0 0 578.723 7.143 50 30 KKEARN O=C1/C(=C/c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCC/C1=C\c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000261491555 572110157 /nfs/dbraw/zinc/11/01/57/572110157.db2.gz WAFPLXKOPKNSCG-GEECTANVSA-N 0 0 568.761 5.256 50 30 KKEARN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)c(-c4ccc(OC)c(OC)c4)coc-3c21 ZINC000263584786 572115285 /nfs/dbraw/zinc/11/52/85/572115285.db2.gz ARKJFANJPSRHKI-IBGZPJMESA-N 0 0 514.530 5.579 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc2c(c1)NC(=O)CO2)N(C)CC4 ZINC000263585388 572118177 /nfs/dbraw/zinc/11/81/77/572118177.db2.gz IBBRUIMDQANPLH-UHFFFAOYSA-N 0 0 554.599 5.070 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3coc5ccccc5c3=O)CC(=O)O4)C1=O)cn2C ZINC000263585466 572118583 /nfs/dbraw/zinc/11/85/83/572118583.db2.gz JANKJMDWJPEYFN-IHRBSIFWSA-N 0 0 519.509 5.351 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2coc4ccc(Cl)cc4c2=O)CC(=O)O3)C1=O ZINC000263585509 572118617 /nfs/dbraw/zinc/11/86/17/572118617.db2.gz JLUDBIZJUPHIDP-XLIOOIBCSA-N 0 0 500.890 5.512 50 30 KKEARN C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cn(C)c2ccc(OC)cc12)C3=O ZINC000263585806 572120628 /nfs/dbraw/zinc/12/06/28/572120628.db2.gz MVQNUHAWXUWHCV-MWQQKMCLSA-N 0 0 551.595 6.208 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1c(C)n(C)c2ccccc21)N(C)CC4 ZINC000263585929 572121179 /nfs/dbraw/zinc/12/11/79/572121179.db2.gz NYGJXBLVJXVPEN-UHFFFAOYSA-N 0 0 550.655 6.539 50 30 KKEARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc21 ZINC000226074613 572127799 /nfs/dbraw/zinc/12/77/99/572127799.db2.gz KISYEEDMAYYTIK-JOCHJYFZSA-N 0 0 536.760 7.952 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000226760513 572140596 /nfs/dbraw/zinc/14/05/96/572140596.db2.gz MSPZWAYUCXRCRW-NDEPHWFRSA-N 0 0 522.567 7.515 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)c(Nc4ccccc4Cl)nn32)cc1 ZINC000226760760 572140681 /nfs/dbraw/zinc/14/06/81/572140681.db2.gz CYHCKTLBBCMZHQ-MUUNZHRXSA-N 0 0 568.077 7.199 50 30 KKEARN CCOc1ccc(-c2nc(SCC(=O)c3ccc(Br)cc3)n(CC(=O)c3ccc(Br)cc3)c(=O)c2C#N)cc1 ZINC000226757845 572140719 /nfs/dbraw/zinc/14/07/19/572140719.db2.gz NKNPJEUMOJPZEK-UHFFFAOYSA-N 0 0 667.379 6.564 50 30 KKEARN O=[N+]([O-])c1cccc(S(=O)(=O)N=C2C=CC(=C3N(c4ccccn4)c4ccccc4N3c3ccccn3)C=C2)c1 ZINC000334157848 572152513 /nfs/dbraw/zinc/15/25/13/572152513.db2.gz FZZMRGODIWFLLI-UHFFFAOYSA-N 0 0 548.584 5.842 50 30 KKEARN CCOc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(CCN4CCOCC4)c4ccccc4n32)cc1 ZINC000334163573 572154963 /nfs/dbraw/zinc/15/49/63/572154963.db2.gz XNDONDXAMIEGLS-VKAVYKQESA-N 0 0 520.633 5.583 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000229611119 572156399 /nfs/dbraw/zinc/15/63/99/572156399.db2.gz VEJSMGTXERMBJZ-CPJIJYJCSA-N 0 0 586.047 6.224 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229633730 572158226 /nfs/dbraw/zinc/15/82/26/572158226.db2.gz QUHHVEIWASLWJA-XMFJDCMESA-N 0 0 597.627 6.141 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229861260 572161902 /nfs/dbraw/zinc/16/19/02/572161902.db2.gz VTOBPQBJDYLOMN-RSYZFUPGSA-N 0 0 632.308 5.590 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229862784 572162065 /nfs/dbraw/zinc/16/20/65/572162065.db2.gz KCPFIPQLHPWBEI-RSYZFUPGSA-N 0 0 587.857 5.480 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000229884126 572165135 /nfs/dbraw/zinc/16/51/35/572165135.db2.gz BTGWDUSLBBLADA-ZCYQVOJMSA-N 0 0 506.356 6.164 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(N(C)C)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000229904136 572168102 /nfs/dbraw/zinc/16/81/02/572168102.db2.gz MIFUZAPTPFVHRT-RWLIJXKTSA-N 0 0 583.688 6.262 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000229911594 572168518 /nfs/dbraw/zinc/16/85/18/572168518.db2.gz OCTNFYJLKUMLSR-FODJJAHYSA-N 0 0 535.662 5.388 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000229945866 572173184 /nfs/dbraw/zinc/17/31/84/572173184.db2.gz DAOSWNSGBIQSOY-UYDITSSVSA-N 0 0 549.689 5.175 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000230017040 572179241 /nfs/dbraw/zinc/17/92/41/572179241.db2.gz ATHIDLCLMFKQNK-KEZSLLOOSA-N 0 0 533.750 6.189 50 30 biogenic KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000230033362 572180663 /nfs/dbraw/zinc/18/06/63/572180663.db2.gz FXKPTJJSKILMRH-AGILITTLSA-N 0 0 611.642 5.689 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(Br)c1 ZINC000230100571 572183462 /nfs/dbraw/zinc/18/34/62/572183462.db2.gz XMFAQRSXXIRBJX-BSVVFNILSA-N 0 0 538.489 6.636 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)[C@@H]3c2ccccc2)cc1 ZINC000239121105 572190804 /nfs/dbraw/zinc/19/08/04/572190804.db2.gz JHRDYEZITUIHKY-JBWCHXGGSA-N 0 0 505.614 6.192 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000239321976 572193563 /nfs/dbraw/zinc/19/35/63/572193563.db2.gz IZLLPMLNHRTFFU-MRAWALMUSA-N 0 0 612.541 7.704 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239386667 572194240 /nfs/dbraw/zinc/19/42/40/572194240.db2.gz PWWBCLJSKVOECF-CWEMWAJSSA-N 0 0 667.416 9.031 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000239377515 572194344 /nfs/dbraw/zinc/19/43/44/572194344.db2.gz OBFXFIRRJYJXQD-WPRJNLRZSA-N 0 0 555.803 8.335 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000239433674 572195917 /nfs/dbraw/zinc/19/59/17/572195917.db2.gz YHHURTGNBUXTMH-FHRHNKEESA-N 0 0 551.683 6.978 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000239433540 572196022 /nfs/dbraw/zinc/19/60/22/572196022.db2.gz XXJFTXQYOOHVJZ-FEPJPAMPSA-N 0 0 614.533 6.187 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000245228694 572205403 /nfs/dbraw/zinc/20/54/03/572205403.db2.gz CPICIMAOYNHTNT-FNKBUZRESA-N 0 0 667.416 9.031 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245228695 572205469 /nfs/dbraw/zinc/20/54/69/572205469.db2.gz CPICIMAOYNHTNT-IRPXJGOYSA-N 0 0 667.416 9.031 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc3ccccc3c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1 ZINC000245228990 572206032 /nfs/dbraw/zinc/20/60/32/572206032.db2.gz KSKQJEYBQNXDSJ-IWANFJPMSA-N 0 0 773.521 9.859 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000245229411 572207109 /nfs/dbraw/zinc/20/71/09/572207109.db2.gz XHNIYRRYQDMUPY-DIKHQHBXSA-N 0 0 589.688 6.435 50 30 KKEARN O=C(/C=C\c1ccc(OC[C@H](O)COc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1)c1ccccc1 ZINC000245239347 572212616 /nfs/dbraw/zinc/21/26/16/572212616.db2.gz IBKMCILNGFJQRC-MPMTXTFWSA-N 0 0 504.582 6.298 50 30 KKEARN COc1ccccc1N=C1C(=O)c2c3c4c(C)c([O-])c2C(=O)C1NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000245239852 572213495 /nfs/dbraw/zinc/21/34/95/572213495.db2.gz FYAVCDYIQDPVEC-TYUFNWBNSA-N 0 0 816.901 5.079 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4C[C@@H](C)C[C@H](C)C4)C3=O)cc2)cc1OC ZINC000245240213 572213735 /nfs/dbraw/zinc/21/37/35/572213735.db2.gz OUKFKXODRKIYMN-ZECDNWMJSA-N 0 0 552.718 5.228 50 30 KKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)N(CCC#N)CCC#N)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245241247 572215098 /nfs/dbraw/zinc/21/50/98/572215098.db2.gz ZMRJAQKGUWTMIF-VVSWPOJLSA-N 0 0 535.817 8.662 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(OCCN3CCOCC3)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000245247180 572220446 /nfs/dbraw/zinc/22/04/46/572220446.db2.gz QZZCZVJCDCJUIJ-JEZHSQSHSA-N 0 0 575.705 6.313 50 30 KKEARN CCCCOc1ccc(/C=C2\C[C@H](CC)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000245298302 572227160 /nfs/dbraw/zinc/22/71/60/572227160.db2.gz ZMEFJGDUCKEYOM-JDGJVBSNSA-N 0 0 534.737 8.698 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)c(=O)n21 ZINC000245326402 572232453 /nfs/dbraw/zinc/23/24/53/572232453.db2.gz JVCGCSLTFVGVDW-MGBGTMOVSA-N 0 0 664.581 6.199 50 30 KKEARN N#C[C@@]1(C(N)=O)[C@@H]2C=Cc3cc(F)ccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000247708502 572243529 /nfs/dbraw/zinc/24/35/29/572243529.db2.gz HEUYJHKURFMFMC-ZOJNDGCKSA-N 0 0 506.364 5.378 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1 ZINC000247812049 572245274 /nfs/dbraw/zinc/24/52/74/572245274.db2.gz DBTCJPGIXWHYCO-NXNJFABFSA-N 0 0 558.388 5.291 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1 ZINC000247812046 572245331 /nfs/dbraw/zinc/24/53/31/572245331.db2.gz DBTCJPGIXWHYCO-FQJHJXCSSA-N 0 0 558.388 5.291 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000247870442 572247075 /nfs/dbraw/zinc/24/70/75/572247075.db2.gz ZCTCKCYSEVAWMW-OSSDZZHWSA-N 0 0 588.414 5.300 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248063145 572252909 /nfs/dbraw/zinc/25/29/09/572252909.db2.gz QKQNOFCJKOGRRS-LEWVKQBFSA-N 0 0 600.513 5.847 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)cc1 ZINC000248177527 572256379 /nfs/dbraw/zinc/25/63/79/572256379.db2.gz BCYPQFYUIWGDKQ-OWWCKCFISA-N 0 0 573.443 5.400 50 30 KKEARN O=C1/C(=C/c2ccccc2Br)C[C@H](c2ccccc2)C/C1=C/c1ccccc1Br ZINC000250807337 572259276 /nfs/dbraw/zinc/25/92/76/572259276.db2.gz IXUPOUZLBBSNJC-SEUPFNDSSA-N 0 0 508.253 7.825 50 30 KKEARN CCC(C)(C)[C@H]1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 ZINC000251296839 572259419 /nfs/dbraw/zinc/25/94/19/572259419.db2.gz QTTJZWMBCNQMSC-QZARGEEGSA-N 0 0 502.290 8.094 50 30 KKEARN C[C@H]1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000252337675 572260091 /nfs/dbraw/zinc/26/00/91/572260091.db2.gz ASXHVOZQFIUVSQ-VQXBVBCPSA-N 0 0 500.638 8.311 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=O)OC5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252426665 572260338 /nfs/dbraw/zinc/26/03/38/572260338.db2.gz JOVGVYUYUCQRFW-UFWVRTGDSA-N 0 0 528.887 10.887 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1cccc(C)c1C ZINC000252430737 572260713 /nfs/dbraw/zinc/26/07/13/572260713.db2.gz HKRBWQFLFNXGLI-OKKVKSSUSA-N 0 0 536.716 7.928 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000252441273 572260913 /nfs/dbraw/zinc/26/09/13/572260913.db2.gz MTTQTMDNVSINLG-LGTXBLIGSA-N 0 0 612.436 5.044 50 30 KKEARN COc1c2c(cc3c1[C@@H](C#C[C@@]1(O)C[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]4(C)C1)N(C)CC3)OCO2 ZINC000252441248 572260917 /nfs/dbraw/zinc/26/09/17/572260917.db2.gz MCUPXNVFHLLYNR-AWUKEJRRSA-N 0 0 531.693 5.219 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000252441168 572260927 /nfs/dbraw/zinc/26/09/27/572260927.db2.gz ITPQXIUXRUUBNM-FWEHEUNISA-N 0 0 612.436 5.044 50 30 KKEARN O=C(/C=C\c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N=Nc4ccccc4)cc2)C3=O)cc1)c1ccccc1 ZINC000252463188 572261377 /nfs/dbraw/zinc/26/13/77/572261377.db2.gz ZMYPSUPUSXICHM-QWVTYFOYSA-N 0 0 576.612 8.051 50 30 KKEARN O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252588574 572266363 /nfs/dbraw/zinc/26/63/63/572266363.db2.gz ACRZIEFRMOSKGT-VYYDMKJGSA-N 0 0 501.951 7.317 50 30 KKEARN Ic1cccc(-c2nc3cc(N=Cc4ccc(OCc5ccccc5)cc4)ccc3o2)c1 ZINC000252588323 572266400 /nfs/dbraw/zinc/26/64/00/572266400.db2.gz AAJZAYMPKQJNNQ-UHFFFAOYSA-N 0 0 530.365 7.429 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1O ZINC000252589181 572266562 /nfs/dbraw/zinc/26/65/62/572266562.db2.gz AHZJRNIDVPQIAP-CCDSKFFISA-N 0 0 588.321 7.351 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)SC2=Nc2ccccc2)cc1 ZINC000252592807 572266779 /nfs/dbraw/zinc/26/67/79/572266779.db2.gz BHRLDTFQOMVWGK-MQIBBLKQSA-N 0 0 544.474 7.053 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000252596997 572267067 /nfs/dbraw/zinc/26/70/67/572267067.db2.gz CNGVMTZQMFLWFH-ZNXDMMNUSA-N 0 0 585.125 8.131 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2cc(OC)ccc2Br)C(=O)N1c1ccccc1CC ZINC000252599713 572267251 /nfs/dbraw/zinc/26/72/51/572267251.db2.gz DKLNXYNCOJPIAZ-YMTQWUKOSA-N 0 0 521.480 7.391 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000252599287 572267292 /nfs/dbraw/zinc/26/72/92/572267292.db2.gz DIFKGOARGPRXGF-UHFFFAOYSA-N 0 0 537.417 7.928 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252603215 572267502 /nfs/dbraw/zinc/26/75/02/572267502.db2.gz FOTCLXPLHYCDGM-IEXRNCSJSA-N 0 0 516.619 5.993 50 30 KKEARN Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000252602774 572267528 /nfs/dbraw/zinc/26/75/28/572267528.db2.gz FLGCCBOUIQZTRI-KCNGQAKQSA-N 0 0 566.908 7.907 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O ZINC000252602928 572267551 /nfs/dbraw/zinc/26/75/51/572267551.db2.gz FMKMFQSKZHKJJS-PNVFXWMWSA-N 0 0 616.375 7.968 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252604661 572267629 /nfs/dbraw/zinc/26/76/29/572267629.db2.gz GCLBLXQVQAIQTL-UHFFFAOYSA-N 0 0 584.508 5.833 50 30 KKEARN Cc1ccccc1N=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1C ZINC000252605834 572267743 /nfs/dbraw/zinc/26/77/43/572267743.db2.gz GNDTVQBLLVCCRB-XQKCVHSKSA-N 0 0 507.409 6.603 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000252604877 572267778 /nfs/dbraw/zinc/26/77/78/572267778.db2.gz GEUMELVAOWRASQ-JKVXHRLHSA-N 0 0 674.604 8.921 50 30 KKEARN Cc1ccccc1N=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1C ZINC000252605833 572267808 /nfs/dbraw/zinc/26/78/08/572267808.db2.gz GNDTVQBLLVCCRB-DYCZJGEBSA-N 0 0 507.409 6.603 50 30 KKEARN CCOc1cc(C=Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252605088 572267851 /nfs/dbraw/zinc/26/78/51/572267851.db2.gz GEWYUSVKTOIVMP-UHFFFAOYSA-N 0 0 538.516 7.561 50 30 KKEARN CC(C)CN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=Nc1ccc(N(C)C)cc1 ZINC000252607355 572267870 /nfs/dbraw/zinc/26/78/70/572267870.db2.gz HBEMQZFGEKMSFD-WRCHOWETSA-N 0 0 572.533 8.038 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(C=Nc4ccc5nc(SCC(=O)NCCc6ccc(OC)c(OC)c6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000252608126 572267937 /nfs/dbraw/zinc/26/79/37/572267937.db2.gz HGVYFQJHPUDYDK-UHFFFAOYSA-N 0 0 745.930 8.583 50 30 KKEARN COc1cc(Br)c(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1OC ZINC000252608361 572268028 /nfs/dbraw/zinc/26/80/28/572268028.db2.gz HJWICYOGWVIFLP-VYYDMKJGSA-N 0 0 523.452 6.313 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N1C ZINC000252608140 572268070 /nfs/dbraw/zinc/26/80/70/572268070.db2.gz HHBHTEFXGWHIIQ-WDNNDGJSSA-N 0 0 502.592 5.799 50 30 KKEARN O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=Nc2ccccc2)N1CCc1ccccc1 ZINC000252609530 572268071 /nfs/dbraw/zinc/26/80/71/572268071.db2.gz HTZXOSIWSQTQJV-JLCUKIGUSA-N 0 0 531.656 7.675 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=Nc1ccccc1 ZINC000252608837 572268091 /nfs/dbraw/zinc/26/80/91/572268091.db2.gz HNVUTIWVMYNGHE-VOCGCAAWSA-N 0 0 501.608 5.263 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)SC2=Nc2ccccc2)cc1 ZINC000252610843 572268190 /nfs/dbraw/zinc/26/81/90/572268190.db2.gz IEKNZBHFHLPVLP-AOSXRZPVSA-N 0 0 596.108 7.612 50 30 KKEARN Clc1ccc(Cn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)cc1 ZINC000252609860 572268207 /nfs/dbraw/zinc/26/82/07/572268207.db2.gz HWOGWQUSQWBYHA-UHFFFAOYSA-N 0 0 501.038 5.174 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)N2C)cc1 ZINC000252611583 572268344 /nfs/dbraw/zinc/26/83/44/572268344.db2.gz ILLDZCCEXCEVLI-VWDNJRNHSA-N 0 0 508.643 7.224 50 30 KKEARN CCOc1ccc(N=C2S/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N2C)cc1 ZINC000252611075 572268353 /nfs/dbraw/zinc/26/83/53/572268353.db2.gz IGYPLROVQOXOHK-WLRNLMOZSA-N 0 0 527.646 6.361 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(C)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252612009 572268355 /nfs/dbraw/zinc/26/83/55/572268355.db2.gz IOYBXQBHUKEZLA-ZSZBPKCMSA-N 0 0 512.609 6.347 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1C#N ZINC000252612721 572268468 /nfs/dbraw/zinc/26/84/68/572268468.db2.gz IUWYKCZRNPBQHM-SQMBILOSSA-N 0 0 535.625 6.933 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)SC2=Nc2ccccc2)cc1 ZINC000252614706 572268631 /nfs/dbraw/zinc/26/86/31/572268631.db2.gz JMHRNCOMYIRQMO-QDKHVRPGSA-N 0 0 593.507 8.524 50 30 KKEARN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000252616660 572268734 /nfs/dbraw/zinc/26/87/34/572268734.db2.gz KCZNMSPPSVPATF-HTOVHVOOSA-N 0 0 500.064 5.978 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1c(C)cccc1C ZINC000252616988 572268815 /nfs/dbraw/zinc/26/88/15/572268815.db2.gz KJXZQSGHZMGVNA-SCPLMRELSA-N 0 0 513.062 8.642 50 30 KKEARN N#Cc1c2c(sc1N=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl)CCCC2 ZINC000252617083 572268880 /nfs/dbraw/zinc/26/88/80/572268880.db2.gz KLXPNQINRNMGEO-UHFFFAOYSA-N 0 0 693.175 8.344 50 30 KKEARN Cc1cc(O)c(C=Nc2ccc3oc(-c4cccc(I)c4)nc3c2)c(C)c1Cl ZINC000252616897 572268883 /nfs/dbraw/zinc/26/88/83/572268883.db2.gz KIAFKIGOHPSEQU-UHFFFAOYSA-N 0 0 502.739 6.826 50 30 KKEARN CCn1c2ccccc2nc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000252617511 572268988 /nfs/dbraw/zinc/26/89/88/572268988.db2.gz KUPMQQHIUREMHB-SSEXGKCCSA-N 0 0 548.488 7.925 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(I)c1OCC(=O)OC ZINC000252617652 572269049 /nfs/dbraw/zinc/26/90/49/572269049.db2.gz KXTVGSHDBONFQQ-JKLWIKPESA-N 0 0 618.449 5.639 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000252617315 572269052 /nfs/dbraw/zinc/26/90/52/572269052.db2.gz KQIBVZOBGIXMRD-JUJYEDHNSA-N 0 0 706.500 9.841 50 30 KKEARN S=C(NCc1ccccc1)NN=Cc1cn(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 ZINC000252618147 572269164 /nfs/dbraw/zinc/26/91/64/572269164.db2.gz LELKESCSXOKUOP-UHFFFAOYSA-N 0 0 510.707 6.766 50 30 KKEARN CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000252620081 572269254 /nfs/dbraw/zinc/26/92/54/572269254.db2.gz LXCJSPPHMXEAAJ-UANVGHJRSA-N 0 0 524.712 5.696 50 30 KKEARN CCCCCCn1c2ccccc2nc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000252619330 572269243 /nfs/dbraw/zinc/26/92/43/572269243.db2.gz LNZXAVPWZQCSNW-UUWRZZSWSA-N 0 0 525.700 8.723 50 30 KKEARN Cc1ccccc1N=C1S/C(=C2/C(=O)Nc3c2cc(Br)cc3Br)C(=O)N1c1ccccc1C ZINC000252621063 572269486 /nfs/dbraw/zinc/26/94/86/572269486.db2.gz MSCQNCOEZUZCBF-KBQSGKKMSA-N 0 0 583.305 6.959 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252621921 572269629 /nfs/dbraw/zinc/26/96/29/572269629.db2.gz NKDLLBKEVWTCDN-VJDSYSLHSA-N 0 0 528.634 5.453 50 30 KKEARN CCc1ccccc1N=C1S/C(=C2/c3cc(C)cc(Br)c3N(C)C2=O)C(=O)N1c1ccccc1CC ZINC000252621439 572269650 /nfs/dbraw/zinc/26/96/50/572269650.db2.gz MYQKMPAOBVGDFJ-ZERYHZOGSA-N 0 0 560.517 7.038 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252621920 572269690 /nfs/dbraw/zinc/26/96/90/572269690.db2.gz NKDLLBKEVWTCDN-MPXGMWJOSA-N 0 0 528.634 5.453 50 30 KKEARN CN1C(=O)/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2cc(Br)cc(Br)c21 ZINC000252622414 572269779 /nfs/dbraw/zinc/26/97/79/572269779.db2.gz NUVSMENRORVGDJ-DEVBNZRNSA-N 0 0 569.278 6.367 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252622373 572269789 /nfs/dbraw/zinc/26/97/89/572269789.db2.gz NTZIYDGGFXLCMJ-UZWHTOBLSA-N 0 0 544.673 6.610 50 30 KKEARN CCOc1cc(Br)cc(/C=C2\SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)c1O ZINC000252622255 572269797 /nfs/dbraw/zinc/26/97/97/572269797.db2.gz NRIJIEJNSHUVSH-DFZXFXTASA-N 0 0 551.506 7.487 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1 ZINC000252622586 572269806 /nfs/dbraw/zinc/26/98/06/572269806.db2.gz NYOCVIHGOJLREV-CXHPNIJBSA-N 0 0 549.652 6.517 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1OCc1ccc(F)cc1 ZINC000252623226 572270027 /nfs/dbraw/zinc/27/00/27/572270027.db2.gz OMSPFXUMVWTCQH-ANQVEEQOSA-N 0 0 674.430 8.875 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252623839 572270029 /nfs/dbraw/zinc/27/00/29/572270029.db2.gz PAJYWSREMMEXCM-UHFFFAOYSA-N 0 0 573.476 9.078 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1c(C)cccc1C ZINC000252623959 572270184 /nfs/dbraw/zinc/27/01/84/572270184.db2.gz PCZPOIKJUKPIIS-RJPGGIPPSA-N 0 0 513.062 8.642 50 30 KKEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(OCC)c1O ZINC000252624987 572270285 /nfs/dbraw/zinc/27/02/85/572270285.db2.gz QAFLFXSBKCUKOD-DTKXPZGASA-N 0 0 500.620 6.332 50 30 KKEARN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Cl ZINC000252625592 572270368 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COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524730372 1069830113 /nfs/dbraw/zinc/83/01/13/1069830113.db2.gz GXPHACJLOXWWRC-FDEQYMPRSA-N 0 0 663.119 5.995 50 30 KKEARN COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)C2=Cc3c(c(Br)c4c(c3OC)OCO4)CCN2C)cc1 ZINC000524730658 1069830875 /nfs/dbraw/zinc/83/08/75/1069830875.db2.gz RONAGCHMUPIDBB-UHFFFAOYSA-N 0 0 595.446 5.168 50 30 KKEARN COC(=O)C[C@H](c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524730235 1069831945 /nfs/dbraw/zinc/83/19/45/1069831945.db2.gz ANIOMMGOUBXWHG-KHKJMWDJSA-N 0 0 693.145 6.004 50 30 KKEARN COc1cc(C(=O)Nc2ccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)cc2)cc2c1OCCCO2 ZINC000524731780 1069834983 /nfs/dbraw/zinc/83/49/83/1069834983.db2.gz KIMNBQBOUJMITO-UHFFFAOYSA-N 0 0 637.483 5.320 50 30 KKEARN Cc1c(C)c(COc2ccc(C#N)c(OCc3c(C)c(C)c(Br)c(C)c3C)c2)c(C)c(C)c1Br ZINC000002874888 1069840015 /nfs/dbraw/zinc/84/00/15/1069840015.db2.gz PFWOSXIHLJURPI-UHFFFAOYSA-N 0 0 585.380 8.709 50 30 KKEARN O=C1c2ccccc2C(=O)C(Nc2ccc(Cc3ccc(NC4=C(Cl)C(=O)c5ccccc5C4=O)cc3)cc2)=C1Cl ZINC000002952887 1069844141 /nfs/dbraw/zinc/84/41/41/1069844141.db2.gz JBZRKMJEGUGAKG-UHFFFAOYSA-N 0 0 579.439 7.160 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C)(C)Br)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000409413874 1069848285 /nfs/dbraw/zinc/84/82/85/1069848285.db2.gz LUWMKIRDWVRJIY-KKRMWTDISA-N 0 0 535.651 9.401 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000102999956 1070931968 /nfs/dbraw/zinc/93/19/68/1070931968.db2.gz WLKBILRAZKDMOT-IBGZPJMESA-N 0 0 583.375 8.379 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000103001884 1070932779 /nfs/dbraw/zinc/93/27/79/1070932779.db2.gz LIFBGYDNHOEQOG-UHFFFAOYSA-N 0 0 549.796 9.741 50 30 KKEARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=C1/CCC/C(=C\C=C2/Oc3ccc(-c4ccccc4)cc3N2CC)C1=O ZINC000685944231 1070939765 /nfs/dbraw/zinc/93/97/65/1070939765.db2.gz FEXKQXBIFPDYJM-CPLXYNOFSA-N 0 0 592.739 9.447 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C\C=C1\S/C(=N\c2ccc(/C=C/c3ccccc3)cc2)N(CC)C1=O ZINC000103458707 1070952488 /nfs/dbraw/zinc/95/24/88/1070952488.db2.gz RBWIUCXDNYKPFJ-HPXQPQCWSA-N 0 0 595.812 9.692 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000014096524 1070973078 /nfs/dbraw/zinc/97/30/78/1070973078.db2.gz KTFVYALMZXRHFF-YMRGZWOHSA-N 0 0 500.720 5.941 50 30 KKEARN N#Cc1c(SCc2cccc(Oc3ccccc3)c2)nc2c(c1-c1cccs1)CC/C2=C/c1cccs1 ZINC000102941120 1070979382 /nfs/dbraw/zinc/97/93/82/1070979382.db2.gz XECVRDPAKPHEAY-PYCFMQQDSA-N 0 0 534.731 9.315 50 30 KKEARN CN(C)c1ccc(C=Nc2ccc(S(=O)(=O)NC3=Nc4[nH]c5ccccc5c4[C@@H](c4ccccc4)N3)cc2)cc1 ZINC000104919852 1071054535 /nfs/dbraw/zinc/05/45/35/1071054535.db2.gz AHKVSCWYUFMCSF-XIOXGIFKSA-N 0 0 548.672 5.643 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2)cc1 ZINC000102970288 1071054964 /nfs/dbraw/zinc/05/49/64/1071054964.db2.gz UGOFOCXHUOAZLS-HKWRFOASSA-N 0 0 559.647 7.291 50 30 KKEARN COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089766 1071061705 /nfs/dbraw/zinc/06/17/05/1071061705.db2.gz GGEAXUUBIYQION-YSBVSIELSA-N 0 0 595.004 5.021 50 30 KKEARN COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089803 1071061898 /nfs/dbraw/zinc/06/18/98/1071061898.db2.gz IRCFUGXMRXYCDE-NUZRMCEGSA-N 0 0 683.062 5.272 50 30 KKEARN COC(=O)C[C@@H](c1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089802 1071062071 /nfs/dbraw/zinc/06/20/71/1071062071.db2.gz IRCFUGXMRXYCDE-LBXSZUEGSA-N 0 0 683.062 5.272 50 30 KKEARN C#CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)ccc1OC ZINC000888089327 1071059854 /nfs/dbraw/zinc/05/98/54/1071059854.db2.gz VNBIEVQQPFSNIA-XFKQLNLPSA-N 0 0 608.043 5.229 50 30 KKEARN C#CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)ccc1OC ZINC000888089326 1071060028 /nfs/dbraw/zinc/06/00/28/1071060028.db2.gz VNBIEVQQPFSNIA-LISFELLLSA-N 0 0 608.043 5.229 50 30 KKEARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1/N=C1\c2ccccc2C(=O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000106774057 1071073398 /nfs/dbraw/zinc/07/33/98/1071073398.db2.gz TWGVUYLKMKUSGV-MMZFVREHSA-N 0 0 537.488 6.564 50 30 KKEARN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1c(OCc3ccccc3F)ccc3ccccc31)CCCC2 ZINC000100410470 1071078867 /nfs/dbraw/zinc/07/88/67/1071078867.db2.gz BBXVMQYZULKTDY-JEPNHJGPSA-N 0 0 534.656 8.501 50 30 KKEARN O=C(c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)N1CCCSC1=Nc1ccccc1 ZINC000263631029 1071155814 /nfs/dbraw/zinc/15/58/14/1071155814.db2.gz WHGHUDGZEGGVDF-UHFFFAOYSA-N 0 0 514.651 6.321 50 30 KKEARN NS(=O)(=O)c1ccc(N=NCc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000263632594 1071156479 /nfs/dbraw/zinc/15/64/79/1071156479.db2.gz WAWXQCKRXWETAQ-UHFFFAOYSA-N 0 0 511.563 5.299 50 30 KKEARN FC(F)Sc1ccc(-c2ccc(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)o2)cc1 ZINC000588072516 1071168507 /nfs/dbraw/zinc/16/85/07/1071168507.db2.gz FTVQKKYDZUUWKK-XPARKTECSA-N 0 0 519.617 7.130 50 30 KKEARN Cc1cccc2c1NC(=O)C2(c1cnn(C(C)C)c1NC(=NC1CC1)c1ccc(F)cc1)c1cnn(C(C)C)c1NC(=NC1CC1)c1ccc(F)cc1 ZINC000150414002 1071171223 /nfs/dbraw/zinc/17/12/23/1071171223.db2.gz WKFPVJRFKHGQMA-UHFFFAOYSA-N 0 0 715.853 7.775 50 30 KKEARN O=C1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000150464247 1071171652 /nfs/dbraw/zinc/17/16/52/1071171652.db2.gz RUSZGEIGALJIOH-LMKHWIEJSA-N 0 0 699.898 12.178 50 30 KKEARN C=CCO[C@H]1[C@@H](OCC=C)[C@H](OCC=C)[C@@H](Sc2ccccc2)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000503991837 1071255355 /nfs/dbraw/zinc/25/53/55/1071255355.db2.gz TXRQHCCREUGESF-ZCFFODGCSA-N 0 0 634.838 8.226 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@H](C)C2)[C@H]1c1ccc(OC)c2ccccc21 ZINC000604404026 1071268455 /nfs/dbraw/zinc/26/84/55/1071268455.db2.gz ILGPFUUGEJVSPN-ASHNAUMSSA-N 0 0 604.055 5.530 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1OC ZINC000604403893 1071267779 /nfs/dbraw/zinc/26/77/79/1071267779.db2.gz CJVQPTYLIYOVEM-BZNCWZHBSA-N 0 0 620.654 6.326 50 30 KKEARN COc1cc(C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000606442385 1071277175 /nfs/dbraw/zinc/27/71/75/1071277175.db2.gz ZIIVTWXKRSTVLZ-HKOYGPOVSA-N 0 0 511.622 6.393 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H]2CCc3ccccc3NC2=O)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595842 1071282862 /nfs/dbraw/zinc/28/28/62/1071282862.db2.gz FGCBNZKJFHEUPN-BQXNSCQVSA-N 0 0 691.133 5.050 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCNC(=O)c2nc3ccccc3s2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595818 1071282975 /nfs/dbraw/zinc/28/29/75/1071282975.db2.gz CNKZXDUDYXNYMS-LCNPGCQQSA-N 0 0 736.199 5.136 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@H]2CCc3ccccc3NC2=O)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595844 1071282992 /nfs/dbraw/zinc/28/29/92/1071282992.db2.gz FGCBNZKJFHEUPN-YFWYGORUSA-N 0 0 691.133 5.050 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596103 1071283467 /nfs/dbraw/zinc/28/34/67/1071283467.db2.gz MFKRUWCHPDAXRF-PKXRIJHHSA-N 0 0 696.149 5.356 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596175 1071283680 /nfs/dbraw/zinc/28/36/80/1071283680.db2.gz OIMKULOWFRRBBX-CPYOBAMBSA-N 0 0 818.320 5.319 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2csc(C)n2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596460 1071283906 /nfs/dbraw/zinc/28/39/06/1071283906.db2.gz SYOVBYFSGVEBAB-YMRMIJDXSA-N 0 0 643.114 5.062 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2nc3ccccc3[nH]2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596475 1071284673 /nfs/dbraw/zinc/28/46/73/1071284673.db2.gz VXAMCTSMLZMWQB-ZUYMJASHSA-N 0 0 662.095 5.173 50 30 KKEARN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3I)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000826679707 1071287548 /nfs/dbraw/zinc/28/75/48/1071287548.db2.gz RXWRORVBSWZFMU-GSDHBNRESA-N 0 0 541.392 5.884 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)sc2c1CCCC2 ZINC000003766330 1071290684 /nfs/dbraw/zinc/29/06/84/1071290684.db2.gz ULAXMNMPPAISIU-HPNXWYHWSA-N 0 0 530.693 8.040 50 30 KKEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OCCc1ccc2c(c1)CCO2 ZINC000217878629 1071292696 /nfs/dbraw/zinc/29/26/96/1071292696.db2.gz BJUMSAAGBHKMOB-QFIPXVFZSA-N 0 0 512.558 5.562 50 30 biogenic KKEARN O=c1c2c(-c3ccccc3)csc2nc2n1C/C(=N/Cc1ccc3c(c1)OCO3)N(Cc1ccc3c(c1)OCO3)C2 ZINC000102851624 1071304330 /nfs/dbraw/zinc/30/43/30/1071304330.db2.gz VYBKOZWFPNAELX-MXNGAVTRSA-N 0 0 564.623 5.197 50 30 KKEARN N#Cc1c2nc3ccccc3n2c(/C=C\c2ccc(Br)cc2)c2c1/C(=C/c1ccc(Br)cc1)CCC2 ZINC000102927708 1071305942 /nfs/dbraw/zinc/30/59/42/1071305942.db2.gz WFANOQRNNFCRQV-FHGNLUQBSA-N 0 0 595.338 8.931 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C=NN=CC1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886012554 1071315382 /nfs/dbraw/zinc/31/53/82/1071315382.db2.gz JQLPIBYPOPWFAD-KJXVRBNNSA-N 0 0 511.626 5.726 50 30 KKEARN CC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000886017614 1071315849 /nfs/dbraw/zinc/31/58/49/1071315849.db2.gz KLUSTRVALSHMAQ-UHFFFAOYSA-N 0 0 568.615 5.156 50 30 KKEARN COc1cc(Br)c(/C=C\C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OC ZINC000221938885 1071322223 /nfs/dbraw/zinc/32/22/23/1071322223.db2.gz VQWOFRJTSYYPNK-FLIBITNWSA-N 0 0 524.798 6.524 50 30 KKEARN N#Cc1cccc(NC(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 ZINC000103095389 1071334434 /nfs/dbraw/zinc/33/44/34/1071334434.db2.gz ONTKDDWARDXTLW-KAMYIIQDSA-N 0 0 527.378 5.369 50 30 KKEARN O=C(/C(=C/c1cccc(/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)c1)C(=O)C(F)(F)F)c1cccs1 ZINC000105856707 1071339452 /nfs/dbraw/zinc/33/94/52/1071339452.db2.gz CUAWVFRONUTUAE-NFLUSIDLSA-N 0 0 542.478 6.605 50 30 KKEARN N#CC1(c2ccccc2)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)/C(=C\c2cccc(C(F)(F)F)c2)C1 ZINC000108004033 1071340104 /nfs/dbraw/zinc/34/01/04/1071340104.db2.gz GBRMWHNUIUOPJQ-HDSGJDLKSA-N 0 0 511.465 8.016 50 30 KKEARN CCOc1ccc(Br)cc1S(=O)(=O)/N=C(\Sc1ccc(Cl)cc1)c1ccccc1 ZINC000012563511 1072822953 /nfs/dbraw/zinc/82/29/53/1072822953.db2.gz QOIXFJJWCRJCQS-FLFQWRMESA-N 0 0 510.862 6.429 50 30 KKEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1c3c(nc4ccccc41)/C(=C/c1ccco1)CC3)CCCCC2 ZINC000012659465 1072824279 /nfs/dbraw/zinc/82/42/79/1072824279.db2.gz RITFLVXTHNBMCD-OBGWFSINSA-N 0 0 523.614 6.312 50 30 KKEARN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)n4cncn4)CC[C@]23C)C1(C)C ZINC000685945465 1072828356 /nfs/dbraw/zinc/82/83/56/1072828356.db2.gz SMXSSWLIBGPAEJ-LEFGRFQTSA-N 0 0 563.783 6.831 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c4ccc(OCC)cc4)sc3C(C)(C)C2)cc1 ZINC000159240235 1072829286 /nfs/dbraw/zinc/82/92/86/1072829286.db2.gz GVIQEHQVJBHTIZ-FPLPWBNLSA-N 0 0 663.818 6.046 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3cccc(/C=C\C(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)c3)cc2)CC1 ZINC000159308012 1072829450 /nfs/dbraw/zinc/82/94/50/1072829450.db2.gz OLVMGAVYBLIHSN-DQCYIKBWSA-N 0 0 660.858 6.320 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(/C=C\C(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3)cc2)CC1 ZINC000159308584 1072829478 /nfs/dbraw/zinc/82/94/78/1072829478.db2.gz CIEPBFVWJBFFRH-ZZDPWUPLSA-N 0 0 660.858 6.320 50 30 KKEARN O=C1N/C(=N\N=Cc2ccc(-c3ccc(Br)cc3)o2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000245266615 1072830808 /nfs/dbraw/zinc/83/08/08/1072830808.db2.gz KIBKJJYHMINQLK-LJQANCHMSA-N 0 0 536.423 6.188 50 30 KKEARN CCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000245284898 1072831388 /nfs/dbraw/zinc/83/13/88/1072831388.db2.gz USAQALMFIBNDJB-FQEVSTJZSA-N 0 0 631.412 6.261 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\NN=C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000038183784 1072831651 /nfs/dbraw/zinc/83/16/51/1072831651.db2.gz PSKXUVZDTZOVHH-SGWCAAJKSA-N 0 0 515.569 5.433 50 30 KKEARN CC(=O)N1CCN(c2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)CC1 ZINC000095100418 1072832723 /nfs/dbraw/zinc/83/27/23/1072832723.db2.gz NJSUBEWCPYADMR-UHFFFAOYSA-N 0 0 643.273 5.390 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000095100480 1072832899 /nfs/dbraw/zinc/83/28/99/1072832899.db2.gz FOHBKEGDBOPXFE-WCQYABFASA-N 0 0 643.246 6.674 50 30 KKEARN O=C(Nc1ccc(F)c(Cl)c1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100606 1072833237 /nfs/dbraw/zinc/83/32/37/1072833237.db2.gz GWNLBHRIBKZTPP-SCZZXKLOSA-N 0 0 623.618 7.290 50 30 KKEARN O=C1/C(=C\c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)CC/C1=C/c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000096022755 1072833638 /nfs/dbraw/zinc/83/36/38/1072833638.db2.gz MYKSZEJXHJKGQR-VEIIUTKRSA-N 0 0 662.882 8.614 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000097656310 1072835169 /nfs/dbraw/zinc/83/51/69/1072835169.db2.gz SOJZHQDYKYFBSA-UVTDQMKNSA-N 0 0 512.953 5.268 50 30 KKEARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)C=C2N(C)c3ccccc3C2(C)C)CCCCC4)cc1 ZINC000097979322 1072837337 /nfs/dbraw/zinc/83/73/37/1072837337.db2.gz XSLUYDYFNFFZKL-IMRQLAEWSA-N 0 0 571.768 6.697 50 30 KKEARN CC(C)CCN1C(=O)C(=Nn2c(-c3ccccc3)csc2=Nc2ccc(F)cc2F)c2ccccc21 ZINC000254287438 1072842883 /nfs/dbraw/zinc/84/28/83/1072842883.db2.gz DVXRAQWIPNPUKB-UHFFFAOYSA-N 0 0 502.590 6.372 50 30 KKEARN O=[N+]([O-])c1cccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C/c4cccc([N+](=O)[O-])c4)CC3)=C2N2CCOCC2)c1 ZINC000254289429 1072843839 /nfs/dbraw/zinc/84/38/39/1072843839.db2.gz KWCVZOBZSHUIBN-ORXPMZNCSA-N 0 0 624.698 5.787 50 30 KKEARN COc1ccc(N=c2scc(-c3cccc(C(F)(F)F)c3)n2N=Cc2ccc3ncccc3c2)cc1 ZINC000254303257 1072845853 /nfs/dbraw/zinc/84/58/53/1072845853.db2.gz KVJPCDXQEDBEJW-UHFFFAOYSA-N 0 0 504.537 6.907 50 30 KKEARN C=CCN=c1scc(-c2cc(OC)c(OC)c(OC)c2)n1N=Cc1ccc(Oc2ccccc2)cc1 ZINC000254310278 1072847097 /nfs/dbraw/zinc/84/70/97/1072847097.db2.gz QKGNDPUHXJXVRW-UHFFFAOYSA-N 0 0 501.608 6.004 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N=NCc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000254351504 1072848838 /nfs/dbraw/zinc/84/88/38/1072848838.db2.gz NAFFFAKYABVHNV-UHFFFAOYSA-N 0 0 567.671 6.682 50 30 KKEARN C[C@@H]1N(C)c2ccc(C=Nc3ccc(C4(c5ccc(N=Cc6ccc7c(c6)C(C)(C)[C@H](C)N7C)cc5)CCCCC4)cc3)cc2C1(C)C ZINC000254382703 1072850587 /nfs/dbraw/zinc/85/05/87/1072850587.db2.gz VOKLOUMOMZRSIM-CONSDPRKSA-N 0 0 636.928 10.670 50 30 KKEARN COc1cc(C=NOCC(=O)Nc2cc(C)cc(C)c2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254410893 1072854344 /nfs/dbraw/zinc/85/43/44/1072854344.db2.gz ICLWXLIDTFLWKJ-UHFFFAOYSA-N 0 0 503.599 5.244 50 30 KKEARN O=C(Nc1ccc(N=C2c3ccccc3N(Cc3ccccc3)C2=O)cc1)c1ccc(N=C2c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000254441518 1072855805 /nfs/dbraw/zinc/85/58/05/1072855805.db2.gz UKZCAESUHXPIRQ-UHFFFAOYSA-N 0 0 665.753 8.274 50 30 KKEARN COc1ccc(OC)c(-c2csc(=Nc3ccc(F)cc3F)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000254446369 1072855890 /nfs/dbraw/zinc/85/58/90/1072855890.db2.gz KEVFWNSNEVWSHS-UHFFFAOYSA-N 0 0 540.504 5.264 50 30 KKEARN Cc1cccn2c(=O)c(C=NN=c3[nH]c4ccccc4s3)c(Sc3nc4ccccc4s3)nc12 ZINC000254450932 1072856135 /nfs/dbraw/zinc/85/61/35/1072856135.db2.gz GXFBIORKSMDSEQ-UHFFFAOYSA-N 0 0 500.634 5.820 50 30 KKEARN O=C1C(=Nc2cccc(N=C3c4ccccc4N(Cc4ccccc4)C3=O)c2)c2ccccc2N1Cc1ccccc1 ZINC000254506984 1072860707 /nfs/dbraw/zinc/86/07/07/1072860707.db2.gz PWWXMGFYRGRYNG-UHFFFAOYSA-N 0 0 546.630 7.022 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CON=CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254608134 1072866877 /nfs/dbraw/zinc/86/68/77/1072866877.db2.gz OPWYQEHQPKFXNM-NDEPHWFRSA-N 0 0 551.559 5.075 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3ccccc3C(F)(F)F)=C2N2CCOCC2)cc1 ZINC000254625742 1072868066 /nfs/dbraw/zinc/86/80/66/1072868066.db2.gz XFVKFAAWZADPNI-MINLSHJHSA-N 0 0 510.604 6.420 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(OC(=O)c4cccs4)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000254631835 1072868695 /nfs/dbraw/zinc/86/86/95/1072868695.db2.gz LWLGVTDGATVHMI-UHFFFAOYSA-N 0 0 582.616 5.140 50 30 KKEARN COc1cc(C=NNC(=S)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254645202 1072869211 /nfs/dbraw/zinc/86/92/11/1072869211.db2.gz KTVHCPVQUCHAEG-UHFFFAOYSA-N 0 0 504.656 5.575 50 30 KKEARN COc1cc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=Nc2ccc(F)cc2F)cc(OC)c1O ZINC000254737022 1072873840 /nfs/dbraw/zinc/87/38/40/1072873840.db2.gz WDOLJEIAESQTMF-UHFFFAOYSA-N 0 0 533.503 5.934 50 30 KKEARN O=C1C(=Cc2ccc(OC(F)F)cc2)SC(=NNC(=S)Nc2ccccc2)N1C1CCCCC1 ZINC000254739843 1072874224 /nfs/dbraw/zinc/87/42/24/1072874224.db2.gz DWWZXZCGFJIJOI-OHSQDCCFSA-N 0 0 502.612 5.795 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000254743959 1072874864 /nfs/dbraw/zinc/87/48/64/1072874864.db2.gz HLWBXHYWKXKOEN-XRGVIPDSSA-N 0 0 588.651 8.718 50 30 KKEARN CC(=NN1C(=Nc2ccccc2F)SC[C@@]1(O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000254745676 1072875488 /nfs/dbraw/zinc/87/54/88/1072875488.db2.gz RMIVWAYINHUQKN-AREMUKBSSA-N 0 0 516.558 5.225 50 30 KKEARN CC(=Nn1c(-c2ccc(OC(F)F)cc2)csc1=NCCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000254768819 1072878565 /nfs/dbraw/zinc/87/85/65/1072878565.db2.gz DWGLQEQOBSGDHQ-UHFFFAOYSA-N 0 0 507.562 5.962 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3c(-c4ccccc4)nc4sccn34)=C2N2CCOCC2)cc1 ZINC000254816078 1072880783 /nfs/dbraw/zinc/88/07/83/1072880783.db2.gz AVZLVFUWAAJVCS-ZQJQETSVSA-N 0 0 564.759 6.777 50 30 KKEARN Cc1c(C=Nn2cnc3scc(-c4ccccc4)c3c2=O)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000254822766 1072881857 /nfs/dbraw/zinc/88/18/57/1072881857.db2.gz LWDDIFGAODGCCD-UHFFFAOYSA-N 0 0 506.562 5.938 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 ZINC000254853282 1072885535 /nfs/dbraw/zinc/88/55/35/1072885535.db2.gz OFKRAVHIYKYWFY-UHFFFAOYSA-N 0 0 555.498 5.105 50 30 KKEARN O=S(=O)(c1ccc(N=c2scc(-c3cc4ccccc4o3)n2N=Cc2cccc3ccccc23)cc1)N1CCOCC1 ZINC000254867870 1072886734 /nfs/dbraw/zinc/88/67/34/1072886734.db2.gz KTMGTQOSCDKNMQ-UHFFFAOYSA-N 0 0 594.718 6.252 50 30 KKEARN Cc1c(N=Cc2c(Sc3nc4ccccc4s3)nc3c(C)cccn3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000254869829 1072886787 /nfs/dbraw/zinc/88/67/87/1072886787.db2.gz MNRUHEHZZLNPDD-UHFFFAOYSA-N 0 0 538.658 5.312 50 30 KKEARN O=C(OCC(F)(F)[C@]1(F)C(F)(F)OC(F)(F)C1(F)F)c1ccc(C(=O)OCC(F)(F)[C@@]2(F)C(F)(F)OC(F)(F)C2(F)F)cc1 ZINC000150406138 1072902288 /nfs/dbraw/zinc/90/22/88/1072902288.db2.gz NLVYXUMQSZIVAV-OKILXGFUSA-N 0 0 686.242 6.390 50 30 KKEARN COc1cc(Cc2ccc(NC=CC(=O)c3ccc(Br)cc3)c(OC)c2)ccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000150419946 1072902731 /nfs/dbraw/zinc/90/27/31/1072902731.db2.gz YGOGHRWBWZLWLW-YTEMWHBBSA-N 0 0 676.405 8.437 50 30 KKEARN C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(/C=N/N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000150444039 1072903358 /nfs/dbraw/zinc/90/33/58/1072903358.db2.gz DKBBOVHILZGXDZ-IAVYKXAXSA-N 0 0 660.774 9.188 50 30 KKEARN CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCc1ccc(-c2ccccc2)cc1 ZINC001501016268 1072920884 /nfs/dbraw/zinc/92/08/84/1072920884.db2.gz ARDSEHFOHOBGPW-PSXMRANNSA-O 0 0 690.879 8.672 50 30 KKEARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC001529436491 1072924744 /nfs/dbraw/zinc/92/47/44/1072924744.db2.gz VLWUGOWENZPUIF-MJQJOQPYSA-N 0 0 714.987 8.010 50 30 KKEARN CCOC(=O)[C@@H]1CC[C@@H](O[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)[C@H]1C(=O)OCC ZINC001529502509 1072925157 /nfs/dbraw/zinc/92/51/57/1072925157.db2.gz XTNHWAXQKTXPEU-WHVJFRPHSA-N 0 0 578.521 7.246 50 30 KKEARN COc1cc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)c(C#N)c3c2CCCC3)cc(OC)c1OC ZINC000000622721 193857005 /nfs/dbraw/zinc/85/70/05/193857005.db2.gz ROTHUEHTGJVHMM-UHFFFAOYSA-N 0 0 568.493 6.018 50 30 KKEARN COc1ccc(-c2c(C#N)c3n(c2C(=O)c2cccs2)CCc2cc(OC)c(OC)cc2-3)cc1OC ZINC000000624407 193857244 /nfs/dbraw/zinc/85/72/44/193857244.db2.gz VRLNYEZBCYLWSB-UHFFFAOYSA-N 0 0 500.576 5.577 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000000648072 193864784 /nfs/dbraw/zinc/86/47/84/193864784.db2.gz IKNPPORRVJNXHZ-PIIWDFAUSA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650137 193867880 /nfs/dbraw/zinc/86/78/80/193867880.db2.gz INNNKGIFMKCAMI-UDNBHOFDSA-N 0 0 589.685 5.875 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccs2)cc1OC ZINC000019727334 193883434 /nfs/dbraw/zinc/88/34/34/193883434.db2.gz IELDSQJFOKRGPB-OLILMLBXSA-N 0 0 514.647 6.074 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770459 193884476 /nfs/dbraw/zinc/88/44/76/193884476.db2.gz LNVGPQZWGATCEC-FUFSCUOVSA-N 0 0 508.574 5.742 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC[C@]5(c6ccccc6)CCO[C@H](C(C)C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533387 195477545 /nfs/dbraw/zinc/47/75/45/195477545.db2.gz JISYTCWHNSEYLK-LVPPNZNUSA-N 0 0 614.871 6.965 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648106 551509420 /nfs/dbraw/zinc/50/94/20/551509420.db2.gz YHCVXPQSPBKNAE-UGDMGKLASA-N 0 0 545.676 6.338 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC 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/nfs/dbraw/zinc/53/47/41/551534741.db2.gz RMKBYVMPLCHDTJ-MYYSRTQBSA-N 0 0 530.459 6.497 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000000717703 551534745 /nfs/dbraw/zinc/53/47/45/551534745.db2.gz KRRRUTIPWDHYTP-CRICUBBOSA-N 0 0 511.640 5.335 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccs3)C2)cc1OC ZINC000000719048 551535790 /nfs/dbraw/zinc/53/57/90/551535790.db2.gz PGJNQOIPYBMJNZ-GDJIYFAZSA-N 0 0 500.620 6.076 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000000719356 551536117 /nfs/dbraw/zinc/53/61/17/551536117.db2.gz MKFOPMCSCMWEGM-UHFFFAOYSA-N 0 0 519.692 5.914 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1O ZINC000000719934 551536558 /nfs/dbraw/zinc/53/65/58/551536558.db2.gz NPFSRCMXDREDAL-RBSBEOHCSA-N 0 0 516.594 5.796 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000000719942 551536576 /nfs/dbraw/zinc/53/65/76/551536576.db2.gz JDFUREILPWEIOS-GEFUHLBYSA-N 0 0 558.631 6.016 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000000728525 551538856 /nfs/dbraw/zinc/53/88/56/551538856.db2.gz AJEJIZBONZDBBD-PBBNMVCDSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000728230 551538887 /nfs/dbraw/zinc/53/88/87/551538887.db2.gz FASBZLRDICDYMV-PBBNMVCDSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000000728229 551538899 /nfs/dbraw/zinc/53/88/99/551538899.db2.gz FASBZLRDICDYMV-ONOMSOESSA-N 0 0 501.623 5.941 50 30 KKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000729518 551539369 /nfs/dbraw/zinc/53/93/69/551539369.db2.gz PCAASQZZIAREET-BGOLNKOXSA-N 0 0 527.665 6.538 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000801140 551543414 /nfs/dbraw/zinc/54/34/14/551543414.db2.gz GUIXYBMKGOWEGK-WKRVVKTRSA-N 0 0 582.609 5.480 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000820775 551544164 /nfs/dbraw/zinc/54/41/64/551544164.db2.gz IIHVGYLWPPXOGC-UHFFFAOYSA-N 0 0 505.459 5.233 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C2\C=C(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc32)cc1 ZINC000000823284 551544287 /nfs/dbraw/zinc/54/42/87/551544287.db2.gz SYGKFWQHUPXYJN-CCFHIKDMSA-N 0 0 556.665 5.457 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000000822774 551544333 /nfs/dbraw/zinc/54/43/33/551544333.db2.gz CYPVXLXUJIHCOZ-ZTOMLWHTSA-N 0 0 501.623 6.028 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000000844127 551547636 /nfs/dbraw/zinc/54/76/36/551547636.db2.gz NCDXQEPYCVFZNG-HXOBKFHXSA-N 0 0 500.820 6.027 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1 ZINC000000843749 551547741 /nfs/dbraw/zinc/54/77/41/551547741.db2.gz ZSLYGJRZSRVNPY-UHFFFAOYSA-N 0 0 500.635 6.983 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000000844125 551547761 /nfs/dbraw/zinc/54/77/61/551547761.db2.gz NCDXQEPYCVFZNG-SBUREZEXSA-N 0 0 500.820 6.027 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861264 551551030 /nfs/dbraw/zinc/55/10/30/551551030.db2.gz LJODMNJPEYYMHO-NDOVKIIASA-N 0 0 595.692 6.167 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000861281 551551319 /nfs/dbraw/zinc/55/13/19/551551319.db2.gz HLKOVGOJHIGJSU-KMRXNPHXSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000861487 551551514 /nfs/dbraw/zinc/55/15/14/551551514.db2.gz PCNVRXKFYOQXIS-DFXYEROKSA-N 0 0 561.675 5.959 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863395 551551862 /nfs/dbraw/zinc/55/18/62/551551862.db2.gz CRPOZTGDDBSCNZ-NSYGIPOTSA-N 0 0 516.421 5.935 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1ccc(OC)cc1 ZINC000000949847 551588832 /nfs/dbraw/zinc/58/88/32/551588832.db2.gz DJRMCWSEDHAPTL-UHFFFAOYSA-N 0 0 512.060 5.571 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccncc1 ZINC000000949868 551588896 /nfs/dbraw/zinc/58/88/96/551588896.db2.gz KSLNFYYLJRMGFI-UHFFFAOYSA-N 0 0 517.467 5.611 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000000950457 551589179 /nfs/dbraw/zinc/58/91/79/551589179.db2.gz BMBHNRBIYOYZSC-NDEPHWFRSA-N 0 0 563.654 5.373 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000958609 551589853 /nfs/dbraw/zinc/58/98/53/551589853.db2.gz FLCQKZJZVKSDED-NRFANRHFSA-N 0 0 508.043 5.925 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959780 551590016 /nfs/dbraw/zinc/59/00/16/551590016.db2.gz LVSBXNOLPKGQDM-QFIPXVFZSA-N 0 0 503.624 5.280 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959782 551590114 /nfs/dbraw/zinc/59/01/14/551590114.db2.gz NSZNXWZEHSQGLR-QFIPXVFZSA-N 0 0 521.614 5.419 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000000987409 551593048 /nfs/dbraw/zinc/59/30/48/551593048.db2.gz DNNAYDMOFSTVQC-UHFFFAOYSA-N 0 0 578.503 6.867 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000000986543 551593108 /nfs/dbraw/zinc/59/31/08/551593108.db2.gz DYGSCRGUUAAMON-WBBHLRKXSA-N 0 0 501.586 6.305 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000986566 551593137 /nfs/dbraw/zinc/59/31/37/551593137.db2.gz JQCXXEPNSXRKKH-GTYOFVGBSA-N 0 0 552.627 5.801 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001003448 551596030 /nfs/dbraw/zinc/59/60/30/551596030.db2.gz WKKKBWRMORZDQH-GDJIYFAZSA-N 0 0 501.970 6.559 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Br)cn3)n2)cc1 ZINC000001010140 551596499 /nfs/dbraw/zinc/59/64/99/551596499.db2.gz PXZRNYKPSVSEOY-UHFFFAOYSA-N 0 0 523.334 5.536 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001067218 551602122 /nfs/dbraw/zinc/60/21/22/551602122.db2.gz DPISGKOOOJLHHC-RKOGDMNLSA-N 0 0 506.986 6.051 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001067223 551602179 /nfs/dbraw/zinc/60/21/79/551602179.db2.gz DPISGKOOOJLHHC-OQRWROFFSA-N 0 0 506.986 6.051 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCCc4ccccc4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000001074608 551603448 /nfs/dbraw/zinc/60/34/48/551603448.db2.gz BTNGZFOOMNHOFP-YKGWIAGDSA-N 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/nfs/dbraw/zinc/60/38/98/551603898.db2.gz VAQRYKROYDUKBL-JIPXPUAJSA-N 0 0 514.603 5.804 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000001074847 551604081 /nfs/dbraw/zinc/60/40/81/551604081.db2.gz YVTMKFZLGNUODL-NGOKVRLYSA-N 0 0 512.606 5.092 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001074928 551604095 /nfs/dbraw/zinc/60/40/95/551604095.db2.gz SDWBMPBMTSEMQR-KMRXNPHXSA-N 0 0 544.629 6.078 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000001076954 551604322 /nfs/dbraw/zinc/60/43/22/551604322.db2.gz LMRMTNWBYNPHID-CBZJRKILSA-N 0 0 501.539 5.600 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000001077057 551604353 /nfs/dbraw/zinc/60/43/53/551604353.db2.gz IYBVGXTVAJUOFF-JMQGSBJISA-N 0 0 519.439 6.754 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc(Br)c1O ZINC000001076927 551604370 /nfs/dbraw/zinc/60/43/70/551604370.db2.gz MWWFNOPWSLPRTG-YRVHBCJASA-N 0 0 579.491 6.940 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000001077172 551604513 /nfs/dbraw/zinc/60/45/13/551604513.db2.gz DBWVSTYOIREKFY-OQRWROFFSA-N 0 0 501.539 5.600 50 30 KKEARN O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1coc3c(Cl)cc(Cl)cc3c1=O)Nc1ccccc1N2 ZINC000001077651 551604863 /nfs/dbraw/zinc/60/48/63/551604863.db2.gz DPIKRURGINQRJE-YEBMWUKDSA-N 0 0 509.414 7.141 50 30 KKEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000001077411 551604879 /nfs/dbraw/zinc/60/48/79/551604879.db2.gz AEZHJBDXAWWMLI-SLQAJWMNSA-N 0 0 500.595 6.091 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001082052 551605895 /nfs/dbraw/zinc/60/58/95/551605895.db2.gz UKPQXGLLCQUQJB-WHLCRQNOSA-N 0 0 566.492 6.314 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001082060 551605924 /nfs/dbraw/zinc/60/59/24/551605924.db2.gz OLDNWIDHYRLCSP-SLGOVJDISA-N 0 0 569.654 5.826 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000001082034 551605944 /nfs/dbraw/zinc/60/59/44/551605944.db2.gz IPVJOMVZTVREBL-SLGOVJDISA-N 0 0 558.074 6.505 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001082748 551606281 /nfs/dbraw/zinc/60/62/81/551606281.db2.gz AYQMENXVDLFJKG-JWIGPWBQSA-N 0 0 551.437 6.160 50 30 biogenic,in-vitro KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000001103829 551609525 /nfs/dbraw/zinc/60/95/25/551609525.db2.gz UMFNMKLDGFZXDF-ROTAYESASA-N 0 0 562.622 5.771 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000001108681 551610707 /nfs/dbraw/zinc/61/07/07/551610707.db2.gz UMNZQFCATHKRPD-XMMPIXPASA-N 0 0 503.507 5.220 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000001117448 551612317 /nfs/dbraw/zinc/61/23/17/551612317.db2.gz QNFXMBWLOOPVRZ-AWEZNQCLSA-N 0 0 538.888 5.955 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccsc1 ZINC000001123320 551613427 /nfs/dbraw/zinc/61/34/27/551613427.db2.gz DBSVHYMFSKJTGX-MMTVBGGISA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2OC)cc1OC ZINC000001123286 551613439 /nfs/dbraw/zinc/61/34/39/551613439.db2.gz BWUAZFHBAMPFTM-UGDMGKLASA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccsc1 ZINC000001123300 551613460 /nfs/dbraw/zinc/61/34/60/551613460.db2.gz DBSVHYMFSKJTGX-PIIWDFAUSA-N 0 0 530.646 5.774 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001123845 551613766 /nfs/dbraw/zinc/61/37/66/551613766.db2.gz LQFNVGRJLJSFHW-YKGWIAGDSA-N 0 0 553.615 5.921 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1Br ZINC000001129980 551615418 /nfs/dbraw/zinc/61/54/18/551615418.db2.gz UXFDOKAGLQNWSR-DEOSSOPVSA-N 0 0 543.433 5.848 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000001132798 551616301 /nfs/dbraw/zinc/61/63/01/551616301.db2.gz RNAXQDLMVGWBAM-XJFCNFDWSA-N 0 0 554.643 5.230 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)cc1Br ZINC000001140822 551616885 /nfs/dbraw/zinc/61/68/85/551616885.db2.gz BEXWGMIAOUADRX-MYYSRTQBSA-N 0 0 546.483 5.841 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000001140638 551616939 /nfs/dbraw/zinc/61/69/39/551616939.db2.gz HTLHPIAZRCNFJV-KEEVHDRGSA-N 0 0 575.683 5.888 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2coc3ccccc3c2=O)cc1 ZINC000001152097 551619358 /nfs/dbraw/zinc/61/93/58/551619358.db2.gz GZGHGWNTPDSGEM-OLILMLBXSA-N 0 0 553.636 5.968 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000001178698 551620670 /nfs/dbraw/zinc/62/06/70/551620670.db2.gz HDPIVSMPIGAEOR-JRPXNJEYSA-N 0 0 500.042 6.717 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000001201211 551623373 /nfs/dbraw/zinc/62/33/73/551623373.db2.gz ZZARJJNPCGSBSS-PIIWDFAUSA-N 0 0 505.611 5.273 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000001201744 551623574 /nfs/dbraw/zinc/62/35/74/551623574.db2.gz IGNYOIWVTNDFDY-FYSMJZIKSA-N 0 0 542.426 5.097 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000001202335 551623877 /nfs/dbraw/zinc/62/38/77/551623877.db2.gz UITAWITTWBGPEA-FKAPRUDGSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001204610 551624131 /nfs/dbraw/zinc/62/41/31/551624131.db2.gz FFFCOIFKBQTWQU-IADCTJSHSA-N 0 0 524.573 5.708 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2Br)cc1 ZINC000001214090 551626078 /nfs/dbraw/zinc/62/60/78/551626078.db2.gz MQDPYUWEEIHMHF-UULLZXFKSA-N 0 0 535.438 6.454 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccco1 ZINC000001260869 551633583 /nfs/dbraw/zinc/63/35/83/551633583.db2.gz MMYAJEQVAHSHQR-UHFFFAOYSA-N 0 0 577.096 5.742 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1OC ZINC000001282871 551636738 /nfs/dbraw/zinc/63/67/38/551636738.db2.gz NRGVAEHIOZCXCY-HSZRJFAPSA-N 0 0 511.047 5.899 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000001293534 551637261 /nfs/dbraw/zinc/63/72/61/551637261.db2.gz BVTQPPNNKUMGBJ-BNHRFMORSA-N 0 0 538.644 6.429 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001299046 551637839 /nfs/dbraw/zinc/63/78/39/551637839.db2.gz WQOXGCDAFJMLJU-BGOLNKOXSA-N 0 0 554.643 6.032 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001308592 551639532 /nfs/dbraw/zinc/63/95/32/551639532.db2.gz QXIONYISBBJWBJ-WRHNGFHOSA-N 0 0 582.575 6.184 50 30 KKEARN N#Cc1cc(-c2ccccc2)oc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001389880 551660730 /nfs/dbraw/zinc/66/07/30/551660730.db2.gz UJSGBRYBDOVNPS-UHFFFAOYSA-N 0 0 533.414 5.709 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)c(OC)c1 ZINC000001409527 551663931 /nfs/dbraw/zinc/66/39/31/551663931.db2.gz CUXFTBJWYNOWNW-MUUNZHRXSA-N 0 0 513.663 6.717 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)sc2C1 ZINC000001413035 551665115 /nfs/dbraw/zinc/66/51/15/551665115.db2.gz UUUNOJKUDFRZAB-SFHVURJKSA-N 0 0 514.694 5.355 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000001413292 551665146 /nfs/dbraw/zinc/66/51/46/551665146.db2.gz UPMOFHFLRUTFBH-RUZDIDTESA-N 0 0 552.421 5.296 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000001413285 551665222 /nfs/dbraw/zinc/66/52/22/551665222.db2.gz BCGHZHBVGDRKEW-VWLOTQADSA-N 0 0 536.422 5.596 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413414 551665472 /nfs/dbraw/zinc/66/54/72/551665472.db2.gz BSTXFWBWTNSVGD-VWLOTQADSA-N 0 0 531.406 5.760 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413434 551665491 /nfs/dbraw/zinc/66/54/91/551665491.db2.gz FVTZDPWPQDTWJC-SANMLTNESA-N 0 0 545.433 6.150 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001413513 551666043 /nfs/dbraw/zinc/66/60/43/551666043.db2.gz ILCFBXUFTSVAQV-HHHXNRCGSA-N 0 0 512.562 5.015 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1 ZINC000001414729 551666363 /nfs/dbraw/zinc/66/63/63/551666363.db2.gz WPQPBRWWGIIYHF-VWLOTQADSA-N 0 0 515.407 6.060 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1cc(OC)ccc1OC)CCCC2 ZINC000001422458 551668515 /nfs/dbraw/zinc/66/85/15/551668515.db2.gz CYKJNOYVZRTFEJ-VWLOTQADSA-N 0 0 564.704 5.673 50 30 KKEARN COC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000001422456 551668554 /nfs/dbraw/zinc/66/85/54/551668554.db2.gz SCGSALZPDAJXGN-DEOSSOPVSA-N 0 0 550.677 5.370 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(Br)cc4)c3)sc2C1 ZINC000001427435 551669413 /nfs/dbraw/zinc/66/94/13/551669413.db2.gz WPXIHYNIIXIHRQ-CQSZACIVSA-N 0 0 530.469 5.560 50 30 KKEARN COc1cc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000001430153 551669973 /nfs/dbraw/zinc/66/99/73/551669973.db2.gz AUNCADNCHSEBGT-SFHVURJKSA-N 0 0 506.624 5.442 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000001434654 551670624 /nfs/dbraw/zinc/67/06/24/551670624.db2.gz AYZKKFSZMACBTB-DFHRPNOPSA-N 0 0 528.630 6.112 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001434663 551670658 /nfs/dbraw/zinc/67/06/58/551670658.db2.gz QLUSKFSCSKSWFG-NFQMXDRXSA-N 0 0 530.602 5.770 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001434729 551670983 /nfs/dbraw/zinc/67/09/83/551670983.db2.gz PJOAFEBZPSBEJN-HWRSSNJWSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000001434732 551670987 /nfs/dbraw/zinc/67/09/87/551670987.db2.gz NBLBVOGNXSHYTG-SLQAJWMNSA-N 0 0 513.594 5.650 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000001434787 551671172 /nfs/dbraw/zinc/67/11/72/551671172.db2.gz SOFQDPHQXILTMD-SONOPUAISA-N 0 0 514.578 5.617 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000001434786 551671193 /nfs/dbraw/zinc/67/11/93/551671193.db2.gz SOFQDPHQXILTMD-XBBWARJSSA-N 0 0 514.578 5.617 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2coc3ccc(Cl)cc3c2=O)c1 ZINC000001434795 551671203 /nfs/dbraw/zinc/67/12/03/551671203.db2.gz LALOPDQJFCNSKD-XBBWARJSSA-N 0 0 560.046 6.302 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000001438092 551671625 /nfs/dbraw/zinc/67/16/25/551671625.db2.gz OSRRGCGCGLWZLB-HPGBDJQBSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001438145 551671664 /nfs/dbraw/zinc/67/16/64/551671664.db2.gz YXPNQFSFFHALMC-CBZJRKILSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000001438090 551671678 /nfs/dbraw/zinc/67/16/78/551671678.db2.gz OSRRGCGCGLWZLB-UULLZXFKSA-N 0 0 535.438 6.454 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438542 551671939 /nfs/dbraw/zinc/67/19/39/551671939.db2.gz IJORHJXTXLNJAK-PIKZIKFNSA-N 0 0 513.615 5.624 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438549 551671983 /nfs/dbraw/zinc/67/19/83/551671983.db2.gz OAKWONMKSKTMMT-KCWXNJEJSA-N 0 0 537.637 6.002 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)C2)cc1OC ZINC000001440836 551672966 /nfs/dbraw/zinc/67/29/66/551672966.db2.gz KJIIWXCQRNKDGE-BGOLNKOXSA-N 0 0 554.643 7.119 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445962 551674022 /nfs/dbraw/zinc/67/40/22/551674022.db2.gz SMUXKGLVJUMPME-OAHLLOKOSA-N 0 0 521.611 6.438 50 30 KKEARN O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445963 551674042 /nfs/dbraw/zinc/67/40/42/551674042.db2.gz SMUXKGLVJUMPME-HNNXBMFYSA-N 0 0 521.611 6.438 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000001445791 551674082 /nfs/dbraw/zinc/67/40/82/551674082.db2.gz BNSMKGKOCGNNSQ-MRXNPFEDSA-N 0 0 500.020 6.151 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001449901 551674931 /nfs/dbraw/zinc/67/49/31/551674931.db2.gz NBLSQIAUIQQOKY-VWLOTQADSA-N 0 0 546.601 5.504 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000001450576 551675607 /nfs/dbraw/zinc/67/56/07/551675607.db2.gz KTHMMLXWKPGSDP-DEOSSOPVSA-N 0 0 500.576 5.659 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451427 551675976 /nfs/dbraw/zinc/67/59/76/551675976.db2.gz FLPKYQQEWGMLNH-XMMPIXPASA-N 0 0 530.602 5.667 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451412 551676040 /nfs/dbraw/zinc/67/60/40/551676040.db2.gz MRYWHYXUMWLBHH-SANMLTNESA-N 0 0 544.629 6.058 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457398 551676654 /nfs/dbraw/zinc/67/66/54/551676654.db2.gz OPINPSQMYUQEFB-NGOKVRLYSA-N 0 0 536.550 6.475 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001456277 551676728 /nfs/dbraw/zinc/67/67/28/551676728.db2.gz ZJKFKMZZGFQGFV-QLXKLKPCSA-N 0 0 523.651 5.621 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3)C2)cc1 ZINC000001456949 551676754 /nfs/dbraw/zinc/67/67/54/551676754.db2.gz PINFLBBQVAGMKE-OGVWKLGRSA-N 0 0 530.624 6.918 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460765 551678191 /nfs/dbraw/zinc/67/81/91/551678191.db2.gz TWGRYZZASWARTE-APYJYERMSA-N 0 0 584.669 5.817 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc1 ZINC000001460763 551678226 /nfs/dbraw/zinc/67/82/26/551678226.db2.gz RTWSSBPXJZQQMD-URAOTHONSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1 ZINC000001460815 551678573 /nfs/dbraw/zinc/67/85/73/551678573.db2.gz ZSDUNDDPPFVOEA-CHJDUVSTSA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001460791 551678595 /nfs/dbraw/zinc/67/85/95/551678595.db2.gz DLXHYIXDCJAJLK-WKRVVKTRSA-N 0 0 554.643 5.721 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460837 551678734 /nfs/dbraw/zinc/67/87/34/551678734.db2.gz REWWWBYYDOTGFX-UKPGIYTDSA-N 0 0 570.642 5.427 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460826 551678762 /nfs/dbraw/zinc/67/87/62/551678762.db2.gz QMBCAFAHGQDKKI-NRUKRWIHSA-N 0 0 552.671 6.275 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2OC)cc1OC ZINC000001461004 551679043 /nfs/dbraw/zinc/67/90/43/551679043.db2.gz XSHCCMIQKRHGPY-WKRVVKTRSA-N 0 0 538.644 6.021 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461009 551679069 /nfs/dbraw/zinc/67/90/69/551679069.db2.gz KXRBIGHBSVRNDD-JPZYQRIQSA-N 0 0 554.643 5.727 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461028 551679168 /nfs/dbraw/zinc/67/91/68/551679168.db2.gz VVUSIEWIPOJDNR-ZOYWYXQUSA-N 0 0 536.672 6.575 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000001461036 551679216 /nfs/dbraw/zinc/67/92/16/551679216.db2.gz DFMSLPVAIIUQKG-JCOAXYOVSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001467871 551680081 /nfs/dbraw/zinc/68/00/81/551680081.db2.gz SGGAWTSJKHFBAW-MYUZEXMDSA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001467869 551680149 /nfs/dbraw/zinc/68/01/49/551680149.db2.gz SGGAWTSJKHFBAW-XRHLQHRESA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001480645 551681489 /nfs/dbraw/zinc/68/14/89/551681489.db2.gz SIJJJBUKUMOQFL-VWLOTQADSA-N 0 0 560.628 5.730 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480143 551681605 /nfs/dbraw/zinc/68/16/05/551681605.db2.gz ACKKMNPYNWPJAL-XMMPIXPASA-N 0 0 532.574 5.114 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001482269 551682602 /nfs/dbraw/zinc/68/26/02/551682602.db2.gz MKOOTMCTRVMNFY-VWLOTQADSA-N 0 0 530.602 5.804 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482336 551682961 /nfs/dbraw/zinc/68/29/61/551682961.db2.gz KWUBBVTZCHKSIQ-HSZRJFAPSA-N 0 0 534.565 5.553 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482335 551682989 /nfs/dbraw/zinc/68/29/89/551682989.db2.gz KWUBBVTZCHKSIQ-QHCPKHFHSA-N 0 0 534.565 5.553 50 30 KKEARN [O-]c1c(Br)cc(Br)cc1/C=N/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001605953 551685903 /nfs/dbraw/zinc/68/59/03/551685903.db2.gz KGBGZCIYGGUQKO-OGBZJDJUSA-N 0 0 555.846 5.601 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC000001746336 551691916 /nfs/dbraw/zinc/69/19/16/551691916.db2.gz FCKSUMMHORQENP-UHFFFAOYSA-N 0 0 579.769 6.467 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000001746542 551692112 /nfs/dbraw/zinc/69/21/12/551692112.db2.gz UCLIJSVQSYXLLP-UHFFFAOYSA-N 0 0 525.699 7.002 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000001768944 551695833 /nfs/dbraw/zinc/69/58/33/551695833.db2.gz XRYLRQXLJMEVBQ-KABLAESSSA-N 0 0 507.637 5.707 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CC1S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000001793163 551702194 /nfs/dbraw/zinc/70/21/94/551702194.db2.gz ANHLWNDKAQKCPB-HHMPRKGLSA-N 0 0 533.675 5.969 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000001811794 551706474 /nfs/dbraw/zinc/70/64/74/551706474.db2.gz YQEGDWZEZLUKOF-UHFFFAOYSA-N 0 0 551.715 5.769 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccccc1Br ZINC000001811307 551706531 /nfs/dbraw/zinc/70/65/31/551706531.db2.gz GROGXHXOXPPIGT-UHFFFAOYSA-N 0 0 560.930 6.325 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000001815829 551707593 /nfs/dbraw/zinc/70/75/93/551707593.db2.gz VWFNWHGFJXOXJK-GJFKPFFXSA-N 0 0 551.451 5.531 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000001820921 551708796 /nfs/dbraw/zinc/70/87/96/551708796.db2.gz NVESFBXAWNNACP-MUAVYFROSA-N 0 0 513.638 7.469 50 30 KKEARN COc1ccc(-c2c3c(ncn4nc(CO/N=C/c5ccccc5Cl)nc34)oc2-c2cccc(OC)c2)cc1 ZINC000001822381 551708973 /nfs/dbraw/zinc/70/89/73/551708973.db2.gz IITUGFDNELIXEE-VWJSQJICSA-N 0 0 539.979 6.426 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000001842833 551714153 /nfs/dbraw/zinc/71/41/53/551714153.db2.gz CSGNTBDHMOTJSV-UGDMGKLASA-N 0 0 531.608 6.623 50 30 KKEARN O=C(N=C(Nc1cccc2ccccc21)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)c1ccccc1 ZINC000001854785 551716175 /nfs/dbraw/zinc/71/61/75/551716175.db2.gz VGZQFUJZCHFQPN-UHFFFAOYSA-N 0 0 540.048 6.589 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000001860706 551717092 /nfs/dbraw/zinc/71/70/92/551717092.db2.gz HKHNFKSAZFNMLD-DEOSSOPVSA-N 0 0 558.906 6.075 50 30 KKEARN COc1ccc(CC/N=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2)cc1OC ZINC000001867836 551718395 /nfs/dbraw/zinc/71/83/95/551718395.db2.gz MPXFFQHBGNEMKE-FGGMNGQOSA-N 0 0 535.640 6.970 50 30 KKEARN COc1ccc(CC/N=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2)cc1OC ZINC000001867835 551718416 /nfs/dbraw/zinc/71/84/16/551718416.db2.gz MPXFFQHBGNEMKE-ACNNHMOPSA-N 0 0 535.640 6.970 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001868926 551718791 /nfs/dbraw/zinc/71/87/91/551718791.db2.gz YNWVZNQGICFMJW-HHHXNRCGSA-N 0 0 564.988 5.116 50 30 KKEARN C=CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000001874176 551721139 /nfs/dbraw/zinc/72/11/39/551721139.db2.gz ZIRWERROYHFBDK-DLBLZJNESA-N 0 0 573.498 5.069 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000001875684 551722046 /nfs/dbraw/zinc/72/20/46/551722046.db2.gz VXWJAIFSRZDVDL-UHFFFAOYSA-N 0 0 558.754 6.839 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1)c1ccccc1Cl ZINC000001882919 551724604 /nfs/dbraw/zinc/72/46/04/551724604.db2.gz YGMRKBYDYYAOCY-IBBHUPRXSA-N 0 0 521.787 8.425 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1)c1cccc(Br)c1 ZINC000001883645 551724839 /nfs/dbraw/zinc/72/48/39/551724839.db2.gz BBLSEROAMJOVMV-HNSNBQBZSA-N 0 0 547.408 8.380 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1)c1cccc(Br)c1 ZINC000001884264 551724965 /nfs/dbraw/zinc/72/49/65/551724965.db2.gz VVNLVBXTEHNLJJ-OKCVXOCRSA-N 0 0 515.338 7.366 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)nc2scc(-c3ccccc3)c2c1=O ZINC000001896135 551727970 /nfs/dbraw/zinc/72/79/70/551727970.db2.gz LOLPNUNJYAYZBI-KRWDZBQOSA-N 0 0 579.769 6.405 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nc2scc(-c3ccccc3)c2c1=O ZINC000001896145 551728005 /nfs/dbraw/zinc/72/80/05/551728005.db2.gz NGXPUPYJKQNTAE-UHFFFAOYSA-N 0 0 539.704 5.897 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CCCC3 ZINC000001896083 551728012 /nfs/dbraw/zinc/72/80/12/551728012.db2.gz NXAGSIOHXVRSIR-UHFFFAOYSA-N 0 0 513.994 5.926 50 30 KKEARN 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C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000002106482 551764094 /nfs/dbraw/zinc/76/40/94/551764094.db2.gz AQAAIFRSXAGQNK-UHFFFAOYSA-N 0 0 555.703 5.670 50 30 KKEARN C=CCn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002106603 551764394 /nfs/dbraw/zinc/76/43/94/551764394.db2.gz QAOXKKJJMRSFHW-JXFKEZNVSA-N 0 0 542.126 5.736 50 30 KKEARN CCc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)nc4ccccc43)c2C#N)cc1 ZINC000002108074 551765121 /nfs/dbraw/zinc/76/51/21/551765121.db2.gz LNRVMQVJJIMDRE-UHFFFAOYSA-N 0 0 517.610 7.354 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(CC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108320 551765714 /nfs/dbraw/zinc/76/57/14/551765714.db2.gz SCWFHFQRLHNIAR-UHFFFAOYSA-N 0 0 545.708 8.804 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000002108467 551765871 /nfs/dbraw/zinc/76/58/71/551765871.db2.gz JDUFYWIKRXFTFZ-SANMLTNESA-N 0 0 554.481 6.204 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C ZINC000002111355 551767511 /nfs/dbraw/zinc/76/75/11/551767511.db2.gz QGWZFXXVBULEIX-MHZLTWQESA-N 0 0 526.048 6.842 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C ZINC000002111359 551767552 /nfs/dbraw/zinc/76/75/52/551767552.db2.gz QGWZFXXVBULEIX-HHHXNRCGSA-N 0 0 526.048 6.842 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000002119824 551770080 /nfs/dbraw/zinc/77/00/80/551770080.db2.gz KQNDSLDUTFZJOS-CXUHLZMHSA-N 0 0 579.257 7.201 50 30 KKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)C2=C1CC(C)(C)CC2=O ZINC000002123973 551771441 /nfs/dbraw/zinc/77/14/41/551771441.db2.gz CZWLJILRPFXHIV-UHFFFAOYSA-N 0 0 589.176 7.762 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000002142924 551775314 /nfs/dbraw/zinc/77/53/14/551775314.db2.gz LPOFAPYZMJLBNR-NLRVBDNBSA-N 0 0 559.659 6.564 50 30 KKEARN S=C(NCc1ccccc1)N/N=C/c1cn(CCOc2ccc(Br)cc2)c2ccccc12 ZINC000002149503 551777796 /nfs/dbraw/zinc/77/77/96/551777796.db2.gz APTCHWWQRROYAR-OGLMXYFKSA-N 0 0 507.457 5.481 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151452 551778360 /nfs/dbraw/zinc/77/83/60/551778360.db2.gz IDROGJXXBUIACS-MUUNZHRXSA-N 0 0 557.090 6.966 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccc(Br)cc3)C3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1 ZINC000002151263 551778373 /nfs/dbraw/zinc/77/83/73/551778373.db2.gz FMGOMAKMYLOQLJ-VWLOTQADSA-N 0 0 513.435 6.422 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151361 551778377 /nfs/dbraw/zinc/77/83/77/551778377.db2.gz LUFUTYRHYDKCLX-SANMLTNESA-N 0 0 513.037 6.649 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1c1ccccc1C(F)(F)F ZINC000002151998 551778783 /nfs/dbraw/zinc/77/87/83/551778783.db2.gz APDMITAOKOUYKH-VWLOTQADSA-N 0 0 532.518 6.098 50 30 KKEARN O=C(c1c(F)cccc1F)N(c1nc2ccccc2s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002151929 551778814 /nfs/dbraw/zinc/77/88/14/551778814.db2.gz BEBJDHSCXRYBOV-UHFFFAOYSA-N 0 0 502.386 7.591 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3Cl)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152057 551779004 /nfs/dbraw/zinc/77/90/04/551779004.db2.gz ARYKSKULCMMYSR-AREMUKBSSA-N 0 0 512.993 6.041 50 30 KKEARN N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)Oc2cccc(C(F)(F)F)c2)c1OCC(F)(F)F ZINC000002153435 551779333 /nfs/dbraw/zinc/77/93/33/551779333.db2.gz FDXADDNAZKISJE-UHFFFAOYSA-N 0 0 523.329 5.227 50 30 KKEARN O=C1CN(/N=C/c2ccc(Cl)cc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000002157817 551780139 /nfs/dbraw/zinc/78/01/39/551780139.db2.gz UUTUXOVPQLERGW-ASODYVGDSA-N 0 0 503.389 5.194 50 30 biogenic KKEARN NC(=NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000002161489 551780984 /nfs/dbraw/zinc/78/09/84/551780984.db2.gz AWLXJQRBDWGKIZ-UHFFFAOYSA-N 0 0 535.192 6.095 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OC ZINC000002185404 551786429 /nfs/dbraw/zinc/78/64/29/551786429.db2.gz QGRGYZWZGCNOGN-IAOUMNOZSA-N 0 0 560.716 5.058 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000002185604 551786783 /nfs/dbraw/zinc/78/67/83/551786783.db2.gz RHLUIVIWLFASGJ-UKPGIYTDSA-N 0 0 588.056 6.061 50 30 KKEARN O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000002185759 551786965 /nfs/dbraw/zinc/78/69/65/551786965.db2.gz WZMBBLZMNFNRES-MHZLTWQESA-N 0 0 509.403 6.786 50 30 KKEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3sc(-c4ccccc4)cc3C(=O)OCC)nc21 ZINC000002186304 551787451 /nfs/dbraw/zinc/78/74/51/551787451.db2.gz AAWBVUBELCBFLN-UHFFFAOYSA-N 0 0 529.647 5.802 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)Nc1ccc(F)cc1 ZINC000002188085 551788142 /nfs/dbraw/zinc/78/81/42/551788142.db2.gz OFNOAUZMZWYZET-OPEKNORGSA-N 0 0 563.417 6.227 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000002188088 551788147 /nfs/dbraw/zinc/78/81/47/551788147.db2.gz LCSWXTXTCFHNLI-VWLOTQADSA-N 0 0 539.413 6.858 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002188621 551788566 /nfs/dbraw/zinc/78/85/66/551788566.db2.gz BBZCIZMIURUTGH-QHCPKHFHSA-N 0 0 574.596 5.712 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(I)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002188644 551788751 /nfs/dbraw/zinc/78/87/51/551788751.db2.gz FWDYVDXMZCZJRV-QFIPXVFZSA-N 0 0 519.423 5.771 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002189162 551788895 /nfs/dbraw/zinc/78/88/95/551788895.db2.gz NCURFDGCBNWRDA-SSEXGKCCSA-N 0 0 597.369 10.342 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190992 551789898 /nfs/dbraw/zinc/78/98/98/551789898.db2.gz VZFSULRMCJUPMN-WHLCRQNOSA-N 0 0 567.704 5.379 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191757 551790142 /nfs/dbraw/zinc/79/01/42/551790142.db2.gz FJSHLESKBCATAY-FATZIPQQSA-N 0 0 527.996 5.698 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccccc1OC)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191787 551790346 /nfs/dbraw/zinc/79/03/46/551790346.db2.gz OYCIWYKVZVMBSR-BSEYFRJRSA-N 0 0 523.577 5.053 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccc(OC)c(OC)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002193353 551791534 /nfs/dbraw/zinc/79/15/34/551791534.db2.gz JYDUAQFBTHCXHX-UHFFFAOYSA-N 0 0 543.704 6.641 50 30 KKEARN CCCCCCCCCCOc1ccc(/C=N/n2c(C)nc3c4cc(Br)ccc4[nH]c3c2=O)cc1 ZINC000002215011 551794860 /nfs/dbraw/zinc/79/48/60/551794860.db2.gz GIBXKEMTSAOEPK-NDZAJKAJSA-N 0 0 537.502 7.350 50 30 KKEARN CCCCCCCCCCOc1ccc(C=Nn2c(=O)[nH]c3c4cc(Br)ccc4[nH]c3c2=O)cc1 ZINC000002216237 551795240 /nfs/dbraw/zinc/79/52/40/551795240.db2.gz ZEADTUVITFCQTG-RDRPBHBLSA-N 0 0 539.474 6.335 50 30 KKEARN C=C(C)Cn1c(SCC(=O)[C@H]2CC(=O)OC23CCCCC3)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002224513 551796719 /nfs/dbraw/zinc/79/67/19/551796719.db2.gz UJZBNXQCHQAELD-OAQYLSRUSA-N 0 0 534.703 5.727 50 30 KKEARN COc1ccc(C2=C(/C=N/N(c3ccccc3)c3ccccc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002237820 551798546 /nfs/dbraw/zinc/79/85/46/551798546.db2.gz ZPTOGTSDNGZWGK-BFYKLNHVSA-N 0 0 538.647 8.464 50 30 KKEARN COc1ccc(C2=C(/C=N/N(c3ccccc3)c3ccccc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002237825 551798599 /nfs/dbraw/zinc/79/85/99/551798599.db2.gz ZPTOGTSDNGZWGK-SNVMDNBPSA-N 0 0 538.647 8.464 50 30 KKEARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000002253281 551801968 /nfs/dbraw/zinc/80/19/68/551801968.db2.gz YOTPTUKKDCQKNF-IBBHUPRXSA-N 0 0 503.393 5.328 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002263564 551804110 /nfs/dbraw/zinc/80/41/10/551804110.db2.gz TZJHLLRYAWIKOW-UHFFFAOYSA-N 0 0 520.098 6.629 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002265822 551804537 /nfs/dbraw/zinc/80/45/37/551804537.db2.gz LHRUIOGFJCXCEN-UHFFFAOYSA-N 0 0 504.475 5.325 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002309611 551809005 /nfs/dbraw/zinc/80/90/05/551809005.db2.gz AXPLYQPIIRLNIX-UHFFFAOYSA-N 0 0 522.630 6.229 50 30 KKEARN COc1ccc(C2=C(/C=N/c3ccccc3Br)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000002290290 552088165 /nfs/dbraw/zinc/08/81/65/552088165.db2.gz KNXAKPVUFUAGLR-RWGCQLDOSA-N 0 0 526.430 7.804 50 30 KKEARN CCOc1ccc(C2=C(/C=N/CCc3ccc(OC)c(OC)c3)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000002296552 552089533 /nfs/dbraw/zinc/08/95/33/552089533.db2.gz CCEPQNDYEJCKQC-OFHHYUCBSA-N 0 0 533.668 7.660 50 30 KKEARN COc1cc(Cc2ccc(NC=CC(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC=CC(=O)c1ccc(C)cc1 ZINC000002305598 552090329 /nfs/dbraw/zinc/09/03/29/552090329.db2.gz OUGNKRQQODCFAO-XPWSMXQVSA-N 0 0 546.667 7.528 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)CCCC3 ZINC000002321431 552094065 /nfs/dbraw/zinc/09/40/65/552094065.db2.gz CPVGELCTTYEUDZ-UHFFFAOYSA-N 0 0 543.139 5.954 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002339745 552097806 /nfs/dbraw/zinc/09/78/06/552097806.db2.gz XIASJABBCTUJIE-UHFFFAOYSA-N 0 0 513.707 6.592 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(I)cc1 ZINC000002374992 552106139 /nfs/dbraw/zinc/10/61/39/552106139.db2.gz GYCJXDYPJPSUOW-XKZIYDEJSA-N 0 0 527.431 6.207 50 30 KKEARN COc1ccc(OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000002375332 552106387 /nfs/dbraw/zinc/10/63/87/552106387.db2.gz FONSRPSXQLUOEE-UHFFFAOYSA-N 0 0 503.558 6.361 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1C(F)(F)F)-c1ccccc1CC21CCCCC1 ZINC000002386761 552108388 /nfs/dbraw/zinc/10/83/88/552108388.db2.gz NSXVVWWGVXFSQO-UHFFFAOYSA-N 0 0 539.623 6.604 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2c1ccccc1 ZINC000002400354 552111284 /nfs/dbraw/zinc/11/12/84/552111284.db2.gz BNDAMDDJOIJISE-QHCPKHFHSA-N 0 0 510.434 5.426 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000002404184 552111960 /nfs/dbraw/zinc/11/19/60/552111960.db2.gz BUABPNJWNAXLIM-CLCOLTQESA-N 0 0 532.735 5.819 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CSc4nc5ccccc5o4)nc3c1[C@H]2c1ccccc1 ZINC000002407316 552112793 /nfs/dbraw/zinc/11/27/93/552112793.db2.gz GODLTPOBFYQUOB-QFIPXVFZSA-N 0 0 509.591 5.725 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 ZINC000002415996 552114834 /nfs/dbraw/zinc/11/48/34/552114834.db2.gz PXDGELCILOQYEM-HXUWFJFHSA-N 0 0 509.381 5.635 50 30 KKEARN Cc1ccc(C(C)C)c(OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)c1 ZINC000002417777 552115135 /nfs/dbraw/zinc/11/51/35/552115135.db2.gz QAJOLVVPDZQMAJ-SANMLTNESA-N 0 0 508.622 6.303 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(C)o2)c1C#N ZINC000002425221 552116397 /nfs/dbraw/zinc/11/63/97/552116397.db2.gz IATQBSUSFSGZNK-UHFFFAOYSA-N 0 0 538.673 6.938 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2ccc(F)cc2)cc1OC ZINC000002531562 552127586 /nfs/dbraw/zinc/12/75/86/552127586.db2.gz QFPDAAKMMWOISA-LGJNPRDNSA-N 0 0 532.391 5.145 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2ccc(F)cc2)cc1 ZINC000002542508 552128390 /nfs/dbraw/zinc/12/83/90/552128390.db2.gz UXUOCPOTZOSWJZ-JFLMPSFJSA-N 0 0 530.419 5.917 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002542988 552128676 /nfs/dbraw/zinc/12/86/76/552128676.db2.gz SUDYPYWYYFYLEE-CVKSISIWSA-N 0 0 551.846 5.423 50 30 KKEARN Cc1cccc(NC(=S)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)c1 ZINC000002543712 552128697 /nfs/dbraw/zinc/12/86/97/552128697.db2.gz IFOXADQZTURDTL-VTNSRFBWSA-N 0 0 578.477 7.061 50 30 KKEARN C=CCn1c(=O)c2cc(I)ccc2nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000002555150 552129744 /nfs/dbraw/zinc/12/97/44/552129744.db2.gz KKPMVBFTNVPKHO-UHFFFAOYSA-N 0 0 553.425 5.644 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000002621922 552138037 /nfs/dbraw/zinc/13/80/37/552138037.db2.gz SMJWDXZFJPZGTK-UHFFFAOYSA-N 0 0 533.723 6.385 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3ccccc32)c1 ZINC000002629443 552139438 /nfs/dbraw/zinc/13/94/38/552139438.db2.gz MMVRMAYWYVWCBQ-UHFFFAOYSA-N 0 0 520.960 5.943 50 30 KKEARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)C2CCCCCC2)c(C)c1 ZINC000002633084 552140314 /nfs/dbraw/zinc/14/03/14/552140314.db2.gz NOIVPNCEZBUCKH-USHMODERSA-N 0 0 508.728 6.206 50 30 KKEARN Cc1cc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002635537 552140801 /nfs/dbraw/zinc/14/08/01/552140801.db2.gz CEFMOVQMDQTNRA-HSZRJFAPSA-N 0 0 538.625 6.008 50 30 KKEARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)Nc4sc5c(c4C#N)CCCC5)cc3)ccc12 ZINC000002640119 552142635 /nfs/dbraw/zinc/14/26/35/552142635.db2.gz QRIJUIBWNUJIJG-UHFFFAOYSA-N 0 0 528.586 5.288 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1Cl ZINC000002648782 552145938 /nfs/dbraw/zinc/14/59/38/552145938.db2.gz DULSYHPPWZYITI-UHFFFAOYSA-N 0 0 526.939 5.809 50 30 KKEARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000002656775 552149422 /nfs/dbraw/zinc/14/94/22/552149422.db2.gz REWCARWTMZHPPZ-QFIPXVFZSA-N 0 0 545.027 5.685 50 30 KKEARN N#Cc1ccc(Cn2c(CSc3ccc(Br)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002660694 552150242 /nfs/dbraw/zinc/15/02/42/552150242.db2.gz JJSNQPDHXTVYIC-UHFFFAOYSA-N 0 0 522.493 6.312 50 30 KKEARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)Nc3sccc3C#N)c2)cc1 ZINC000002665260 552151291 /nfs/dbraw/zinc/15/12/91/552151291.db2.gz HOMGXCSVGBVQHZ-UHFFFAOYSA-N 0 0 503.605 5.276 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc2sc(C)c(-c3ccccc3)c2c1=O ZINC000002679203 552154325 /nfs/dbraw/zinc/15/43/25/552154325.db2.gz 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CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002762142 552182514 /nfs/dbraw/zinc/18/25/14/552182514.db2.gz KMPITDRFWLWQNO-AVRWGWEMSA-N 0 0 527.042 5.906 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000002762127 552182535 /nfs/dbraw/zinc/18/25/35/552182535.db2.gz HFTAZQJCRVVHSU-WXTAPIANSA-N 0 0 574.512 6.255 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000002762125 552182558 /nfs/dbraw/zinc/18/25/58/552182558.db2.gz HFTAZQJCRVVHSU-HFJWLAOPSA-N 0 0 574.512 6.255 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1 ZINC000002762151 552182563 /nfs/dbraw/zinc/18/25/63/552182563.db2.gz WUQRJCMDUKIEBZ-GKVSMKOHSA-N 0 0 502.101 6.368 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1c(F)cccc1Cl ZINC000002762209 552182752 /nfs/dbraw/zinc/18/27/52/552182752.db2.gz ICQVACJKLXLBOP-SGANQWHYSA-N 0 0 504.385 5.684 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000002762158 552182761 /nfs/dbraw/zinc/18/27/61/552182761.db2.gz KNATULNGRZAFND-UZTOHYMASA-N 0 0 567.704 5.379 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1nc2ccccc2o1 ZINC000002767802 552183541 /nfs/dbraw/zinc/18/35/41/552183541.db2.gz AJBNPDFIBHSAMD-UHFFFAOYSA-N 0 0 543.685 7.529 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002769806 552184017 /nfs/dbraw/zinc/18/40/17/552184017.db2.gz JIVWCKYZHBWILU-QFIPXVFZSA-N 0 0 562.844 5.544 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 ZINC000002768804 552184043 /nfs/dbraw/zinc/18/40/43/552184043.db2.gz VWTMVKBTWHJDKQ-NRFANRHFSA-N 0 0 516.388 5.112 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002769805 552184084 /nfs/dbraw/zinc/18/40/84/552184084.db2.gz JIVWCKYZHBWILU-JOCHJYFZSA-N 0 0 562.844 5.544 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000002771799 552184492 /nfs/dbraw/zinc/18/44/92/552184492.db2.gz JSVYJYAVFPTYLW-PBBNMVCDSA-N 0 0 545.657 5.749 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002771913 552184944 /nfs/dbraw/zinc/18/49/44/552184944.db2.gz WMLBLQLKRWQXID-NSYGIPOTSA-N 0 0 590.898 5.758 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002775261 552186434 /nfs/dbraw/zinc/18/64/34/552186434.db2.gz PZLLNCFVZNIKIW-NJHZRGNWSA-N 0 0 523.629 6.199 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002775447 552186687 /nfs/dbraw/zinc/18/66/87/552186687.db2.gz DMNUYMYOIGUVBY-MZNJEOGPSA-N 0 0 504.841 6.962 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002775940 552186975 /nfs/dbraw/zinc/18/69/75/552186975.db2.gz KYHKZYQULSBGOK-OAQYLSRUSA-N 0 0 508.478 5.358 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000002776087 552187147 /nfs/dbraw/zinc/18/71/47/552187147.db2.gz LQZGDJMSXMOPAC-YUDQIZAISA-N 0 0 544.047 6.332 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000002776163 552187168 /nfs/dbraw/zinc/18/71/68/552187168.db2.gz FWODIQDIUTXXKV-NFQMXDRXSA-N 0 0 536.466 6.305 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002776319 552187179 /nfs/dbraw/zinc/18/71/79/552187179.db2.gz IBLCDNBCYHVWPB-DWXRJYCRSA-N 0 0 509.986 5.010 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000002776164 552187209 /nfs/dbraw/zinc/18/72/09/552187209.db2.gz FWODIQDIUTXXKV-HRFSGMKKSA-N 0 0 536.466 6.305 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002779839 552188291 /nfs/dbraw/zinc/18/82/91/552188291.db2.gz YBRWMZZQAVGXSC-AREMUKBSSA-N 0 0 570.480 5.693 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002779806 552188307 /nfs/dbraw/zinc/18/83/07/552188307.db2.gz AWHUUILQNOLHPC-WINIVTDRSA-N 0 0 521.610 5.036 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000002784281 552189500 /nfs/dbraw/zinc/18/95/00/552189500.db2.gz MFDPSUATWPIBIO-WXTAPIANSA-N 0 0 526.029 5.768 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1Br ZINC000002786829 552190709 /nfs/dbraw/zinc/19/07/09/552190709.db2.gz VWGSPRUTCDECLW-DEOSSOPVSA-N 0 0 532.475 5.946 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002788554 552190908 /nfs/dbraw/zinc/19/09/08/552190908.db2.gz KVTDFZGOKWRUTL-QUGAMOGWSA-N 0 0 546.447 5.562 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002788556 552190970 /nfs/dbraw/zinc/19/09/70/552190970.db2.gz KVTDFZGOKWRUTL-QLXKLKPCSA-N 0 0 546.447 5.562 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002788580 552191181 /nfs/dbraw/zinc/19/11/81/552191181.db2.gz GFFVONRGYSOECV-NIYFSFCBSA-N 0 0 512.071 6.007 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)c(C#N)c1-c1ccc(C)cc1 ZINC000002789258 552191639 /nfs/dbraw/zinc/19/16/39/552191639.db2.gz NJDLDXHJFXRGDY-UHFFFAOYSA-N 0 0 531.681 8.406 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000002792873 552191907 /nfs/dbraw/zinc/19/19/07/552191907.db2.gz AHZUBULUKXHBDN-OLILMLBXSA-N 0 0 565.663 5.051 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)c(C#N)c1-c1ccc(C(C)C)cc1 ZINC000002794843 552192140 /nfs/dbraw/zinc/19/21/40/552192140.db2.gz MYTDCUJIGAMYBO-UHFFFAOYSA-N 0 0 559.735 9.221 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002794863 552192169 /nfs/dbraw/zinc/19/21/69/552192169.db2.gz BQYKCNDOPDLRMM-UHFFFAOYSA-N 0 0 559.735 9.365 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002801502 552194683 /nfs/dbraw/zinc/19/46/83/552194683.db2.gz JIKZQIGUGFJSML-WINIVTDRSA-N 0 0 510.461 7.231 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3c(F)c(F)c(F)c(F)c3F)c2C#N)cc1C ZINC000002802330 552194867 /nfs/dbraw/zinc/19/48/67/552194867.db2.gz NLEBJLKLYKFRLY-UHFFFAOYSA-N 0 0 531.428 6.682 50 30 KKEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2ccc(OC(F)F)c(OC)c2)s1 ZINC000002806893 552196443 /nfs/dbraw/zinc/19/64/43/552196443.db2.gz YENYTDTWLCIDSU-INIZCTEOSA-N 0 0 500.449 5.226 50 30 KKEARN N#Cc1ccc(Oc2ccc3c(c2)-c2cc(Oc4ccc(C#N)c(C#N)c4)ccc2S3(=O)=O)cc1C#N ZINC000002819993 552196905 /nfs/dbraw/zinc/19/69/05/552196905.db2.gz NSCAGQDRMAVRJV-UHFFFAOYSA-N 0 0 500.495 5.571 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccc(Cl)cc3Cl)c(C)c2)ccc1/N=C/c1ccc(Cl)cc1Cl ZINC000002831292 552197158 /nfs/dbraw/zinc/19/71/58/552197158.db2.gz QUOWGQOJOXRBCR-KXJQYHRCSA-N 0 0 526.294 10.085 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccc(Br)cc3)c(C)c2)ccc1/N=C/c1ccc(Br)cc1 ZINC000002831298 552197242 /nfs/dbraw/zinc/19/72/42/552197242.db2.gz IXDSZYPYYKPGRQ-LTTYKRRRSA-N 0 0 546.306 8.997 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000002844238 552200191 /nfs/dbraw/zinc/20/01/91/552200191.db2.gz OUTPTHYTWLWKMT-WENCNXQZSA-N 0 0 559.615 5.419 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cc(Br)ccc1O ZINC000002852687 552201383 /nfs/dbraw/zinc/20/13/83/552201383.db2.gz YKKQMHPHYIXQDY-UHFFFAOYSA-N 0 0 547.784 6.002 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)nnc1-c1ccccc1O ZINC000002853103 552201737 /nfs/dbraw/zinc/20/17/37/552201737.db2.gz SRUUNQIYUAZSAZ-UHFFFAOYSA-N 0 0 559.717 5.438 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000002860573 552203817 /nfs/dbraw/zinc/20/38/17/552203817.db2.gz QIFKFQIGXQVYNM-UHFFFAOYSA-N 0 0 551.457 6.246 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002889291 552211106 /nfs/dbraw/zinc/21/11/06/552211106.db2.gz ZODFUYHYWBWLRT-UHFFFAOYSA-N 0 0 501.460 6.901 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)Nc1nsc(-c2ccccc2)n1 ZINC000002890686 552211182 /nfs/dbraw/zinc/21/11/82/552211182.db2.gz KYWWTFPZMACJEV-UHFFFAOYSA-N 0 0 535.651 5.699 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002923194 552221917 /nfs/dbraw/zinc/22/19/17/552221917.db2.gz ODHUDXNJUNOTKF-UQBPGWFLSA-N 0 0 510.428 5.773 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002923204 552222137 /nfs/dbraw/zinc/22/21/37/552222137.db2.gz ODHUDXNJUNOTKF-KBMIEXCESA-N 0 0 510.428 5.773 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925842 552223962 /nfs/dbraw/zinc/22/39/62/552223962.db2.gz USWBDKKZZPZARV-FKAPRUDGSA-N 0 0 542.075 7.232 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000002926687 552224456 /nfs/dbraw/zinc/22/44/56/552224456.db2.gz AQRKGYDGYZKOAM-IDISGSTGSA-N 0 0 525.114 6.064 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000002927409 552224831 /nfs/dbraw/zinc/22/48/31/552224831.db2.gz NIGBWNJXNMUPDJ-XJFCNFDWSA-N 0 0 539.628 5.688 50 30 KKEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000002927770 552225152 /nfs/dbraw/zinc/22/51/52/552225152.db2.gz WSRGFFYDWFNGQI-FKAPRUDGSA-N 0 0 537.612 5.596 50 30 KKEARN C=CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000002959394 552233091 /nfs/dbraw/zinc/23/30/91/552233091.db2.gz UJXQAMYKEAINLB-UHFFFAOYSA-N 0 0 529.471 6.813 50 30 KKEARN N#Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1 ZINC000002974027 552245942 /nfs/dbraw/zinc/24/59/42/552245942.db2.gz OIUZFYFCGGMSPD-UHFFFAOYSA-N 0 0 512.635 5.276 50 30 KKEARN CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(OC)c(OC)c2)N3)c1C#N ZINC000003011279 552258394 /nfs/dbraw/zinc/25/83/94/552258394.db2.gz DQSUQAOAEDIEQY-JXFKEZNVSA-N 0 0 519.549 5.617 50 30 KKEARN Cc1c(C(=O)N(C)C)sc2nc(SCc3ccccc3C#N)n(CCc3ccc(Cl)cc3)c(=O)c12 ZINC000003018497 552261634 /nfs/dbraw/zinc/26/16/34/552261634.db2.gz JHJABUSOLQNOEX-UHFFFAOYSA-N 0 0 523.083 5.528 50 30 KKEARN O=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000003029413 552267930 /nfs/dbraw/zinc/26/79/30/552267930.db2.gz KILARKQCSBNGKZ-UHFFFAOYSA-N 0 0 506.182 5.377 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 ZINC000003042994 552273614 /nfs/dbraw/zinc/27/36/14/552273614.db2.gz BEGYDGGMUUCBJJ-MEFGMAGPSA-N 0 0 513.848 5.648 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 ZINC000003042957 552273636 /nfs/dbraw/zinc/27/36/36/552273636.db2.gz VASZLWLTXMIHOQ-IADYIPOJSA-N 0 0 571.884 5.517 50 30 KKEARN CCc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000003043047 552273965 /nfs/dbraw/zinc/27/39/65/552273965.db2.gz FYDBRSRATSEPCO-NFFVHWSESA-N 0 0 507.457 5.557 50 30 KKEARN COc1ccccc1NC(=S)N/N=C1/c2cc(Br)ccc2N(Cc2cc(C)ccc2C)C1=O ZINC000003044216 552275101 /nfs/dbraw/zinc/27/51/01/552275101.db2.gz XHXZHYBQLPSKGF-NFFVHWSESA-N 0 0 523.456 5.312 50 30 KKEARN COc1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000003044243 552275105 /nfs/dbraw/zinc/27/51/05/552275105.db2.gz AIXGBSQDUFNQLQ-NFFVHWSESA-N 0 0 523.456 5.312 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3cc(C)ccc3C)c3ccc(Br)cc32)cc1Cl ZINC000003044198 552275143 /nfs/dbraw/zinc/27/51/43/552275143.db2.gz YYQCAHWCWICFMB-FAJYDZGRSA-N 0 0 557.901 5.965 50 30 KKEARN Cc1ccc(C)c(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3cc(Br)ccc32)c1 ZINC000003044201 552275147 /nfs/dbraw/zinc/27/51/47/552275147.db2.gz YGDJODQMMFFSHJ-OLFWJLLRSA-N 0 0 521.484 5.920 50 30 KKEARN COc1ccc(C(=O)O/N=C/c2c(C(F)(F)F)nn(C)c2SCc2ccc(C(C)(C)C)cc2)cc1 ZINC000003052501 552278852 /nfs/dbraw/zinc/27/88/52/552278852.db2.gz RRYWSZOUYSRHBO-IPPBACCNSA-N 0 0 505.562 6.228 50 30 KKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000003054583 552279720 /nfs/dbraw/zinc/27/97/20/552279720.db2.gz KZIYWQYTGHYKMG-KBKFPDNXSA-N 0 0 551.768 8.373 50 30 KKEARN COc1ccc(/N=C/c2cc(Br)c(OC(=O)/C=C/c3ccc(Br)cc3)c(Br)c2)cc1 ZINC000003060982 552282119 /nfs/dbraw/zinc/28/21/19/552282119.db2.gz CCPZMMCTEMTADX-NXYHMFNQSA-N 0 0 594.097 7.352 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000003082621 552285582 /nfs/dbraw/zinc/28/55/82/552285582.db2.gz RDTFCSOUIGHROL-BIZUNTBRSA-N 0 0 509.558 6.510 50 30 KKEARN Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(/C=N/c4ccccc4C)cc3)cc2)cc1 ZINC000003084078 552285835 /nfs/dbraw/zinc/28/58/35/552285835.db2.gz NEGABCWZLOZTEW-DNJOOXRZSA-N 0 0 552.630 8.243 50 30 KKEARN COc1ccc(/C=N/c2cc(Cc3ccc(O)c(/N=C/c4ccc(OC)c(Cl)c4)c3)ccc2O)cc1Cl ZINC000003086797 552286090 /nfs/dbraw/zinc/28/60/90/552286090.db2.gz NKPHCTWQNNDOLG-CBLSGYJOSA-N 0 0 535.427 7.514 50 30 KKEARN O=C(Oc1c(Br)cc(/C=N/Cc2ccccc2)cc1Br)c1ccc([N+](=O)[O-])o1 ZINC000003085246 552286121 /nfs/dbraw/zinc/28/61/21/552286121.db2.gz PIFSFTVOHSNOOM-SSDVNMTOSA-N 0 0 508.122 5.551 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(Sc3nnnn3-c3ccccc3)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000003088142 552286399 /nfs/dbraw/zinc/28/63/99/552286399.db2.gz IAAVKRRKSGXTBB-UHFFFAOYSA-N 0 0 534.638 5.893 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000003094446 552287007 /nfs/dbraw/zinc/28/70/07/552287007.db2.gz NSNKFNYSDIPHIJ-MUUNZHRXSA-N 0 0 503.639 6.222 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2I)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098424 552287672 /nfs/dbraw/zinc/28/76/72/552287672.db2.gz UFVCEEKLEKIPFP-QFIPXVFZSA-N 0 0 519.423 5.771 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000003098512 552287949 /nfs/dbraw/zinc/28/79/49/552287949.db2.gz QSHQQKVEPAJLGG-KDYSTLNUSA-N 0 0 520.467 6.687 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000003098528 552287955 /nfs/dbraw/zinc/28/79/55/552287955.db2.gz XLNXCJZJONTJBK-HMILPKGGSA-N 0 0 564.476 6.415 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098511 552287957 /nfs/dbraw/zinc/28/79/57/552287957.db2.gz QSHQQKVEPAJLGG-ZBLYBZFDSA-N 0 0 520.467 6.687 50 30 KKEARN O=P(/N=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000003098953 552287963 /nfs/dbraw/zinc/28/79/63/552287963.db2.gz ACZUMIPNKUMJQW-NWBJSICCSA-N 0 0 516.537 8.237 50 30 KKEARN C(=N/c1cccc2c(/N=C/c3ccccc3OCc3ccccc3)cccc12)\c1ccccc1OCc1ccccc1 ZINC000003110081 552289577 /nfs/dbraw/zinc/28/95/77/552289577.db2.gz ZMNDHGYBFZQHOW-YXTVXKGXSA-N 0 0 546.670 9.499 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000003113591 552289869 /nfs/dbraw/zinc/28/98/69/552289869.db2.gz AZNMGXDWWXOOKK-NSKAYECMSA-N 0 0 550.634 7.446 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003113748 552290109 /nfs/dbraw/zinc/29/01/09/552290109.db2.gz AYUWYNJTVYXHFV-YSURURNPSA-N 0 0 509.130 6.862 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5ccc(Cl)c(Cl)c5)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003113769 552290146 /nfs/dbraw/zinc/29/01/46/552290146.db2.gz BZHSNDWPTFCBJJ-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5cc(Cl)ccc5Cl)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000003115250 552290382 /nfs/dbraw/zinc/29/03/82/552290382.db2.gz VEWACHVHUFUMHI-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)c3)nc21 ZINC000003116413 552290396 /nfs/dbraw/zinc/29/03/96/552290396.db2.gz UEDQQDOGCDKRMK-OCSSWDANSA-N 0 0 511.375 7.536 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@]2(Nc3ccc(C)c(C)c3)C(Cl)=C(Cl)C(=O)C(Cl)(Cl)C2(Cl)Cl)cc1 ZINC000003123209 552291052 /nfs/dbraw/zinc/29/10/52/552291052.db2.gz HWOOIYDEYJJGFP-HXUWFJFHSA-N 0 0 591.171 6.318 50 30 KKEARN C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000003133794 552292953 /nfs/dbraw/zinc/29/29/53/552292953.db2.gz UFJPVQOOMDBTBG-UHFFFAOYSA-N 0 0 501.414 6.079 50 30 KKEARN N#Cc1c(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1 ZINC000003133821 552293041 /nfs/dbraw/zinc/29/30/41/552293041.db2.gz RBDFOVJZWRISCW-UHFFFAOYSA-N 0 0 501.390 6.738 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000003137809 552293766 /nfs/dbraw/zinc/29/37/66/552293766.db2.gz WNKFPECUMCPIKL-UHFFFAOYSA-N 0 0 518.706 7.377 50 30 KKEARN C=C(C)C(=O)Oc1cccc(Oc2c(F)c(F)c(Oc3cccc(OC(=O)C(=C)C)c3)c(F)c2F)c1 ZINC000003143324 552295914 /nfs/dbraw/zinc/29/59/14/552295914.db2.gz XRLRZZBNXYDHDI-UHFFFAOYSA-N 0 0 502.416 6.791 50 30 KKEARN CCN(CC)c1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(N(CC)CC)cc2)cc1 ZINC000003143361 552295969 /nfs/dbraw/zinc/29/59/69/552295969.db2.gz QOXXYLYWUWZUDE-DKKRNIPZSA-N 0 0 502.706 8.547 50 30 KKEARN O=C(O/N=C1/c2ccccc2N(C(=O)c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl ZINC000003145000 552296917 /nfs/dbraw/zinc/29/69/17/552296917.db2.gz ZEHONLZJAQLMFS-DIBXZPPDSA-N 0 0 508.144 6.048 50 30 KKEARN Brc1ccc(/C=N/c2ccc(-c3nc4cc(/N=C/c5ccc(Br)cc5)ccc4o3)cc2)cc1 ZINC000003146946 552297137 /nfs/dbraw/zinc/29/71/37/552297137.db2.gz SBNYVVBCSSMOJK-RVSCTIAXSA-N 0 0 559.261 8.521 50 30 KKEARN COc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c(-c4ccc(OC)cc4)c(F)c3F)c(F)c2F)cc1 ZINC000003168060 552298502 /nfs/dbraw/zinc/29/85/02/552298502.db2.gz GZHBOEMUTLGKMQ-UHFFFAOYSA-N 0 0 510.380 7.818 50 30 KKEARN CCOc1ccc(C(=O)/C=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1 ZINC000003183384 552300852 /nfs/dbraw/zinc/30/08/52/552300852.db2.gz VNNVYMAOCXBJEC-LJNHBUKQSA-N 0 0 532.636 7.786 50 30 KKEARN Brc1ccc(/C=C/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)cc1 ZINC000003212389 552305841 /nfs/dbraw/zinc/30/58/41/552305841.db2.gz SNZAMRJUCGZGGZ-JRUCXRJDSA-N 0 0 529.175 7.278 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nc2sc(-c3ccccc3)cc2c1=O ZINC000003216107 552307752 /nfs/dbraw/zinc/30/77/52/552307752.db2.gz CVPCPENVLBJIQN-UHFFFAOYSA-N 0 0 539.726 6.947 50 30 KKEARN Cc1cc(C)cc(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nnc2-c2ccc(Br)cc2)c1 ZINC000003221413 552310396 /nfs/dbraw/zinc/31/03/96/552310396.db2.gz KWTYPNXEZPKFIE-UHFFFAOYSA-N 0 0 546.494 6.353 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2-c2ccccc2C(C)C)cc1 ZINC000003221715 552310737 /nfs/dbraw/zinc/31/07/37/552310737.db2.gz YYBGXTUHMSBBQB-UHFFFAOYSA-N 0 0 518.042 6.322 50 30 KKEARN Cc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C#N)nc3sc4c(c3c2=O)CCC4)c1 ZINC000003243847 552319692 /nfs/dbraw/zinc/31/96/92/552319692.db2.gz DRCDXWAPBRRQFS-UHFFFAOYSA-N 0 0 507.040 5.500 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003246163 552320647 /nfs/dbraw/zinc/32/06/47/552320647.db2.gz FUZGGSAHRJLOJJ-HXUWFJFHSA-N 0 0 511.757 6.983 50 30 KKEARN CCc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)nnc2-c2ccncc2)cc1 ZINC000003248256 552321222 /nfs/dbraw/zinc/32/12/22/552321222.db2.gz MOGJAUPGVFUELM-UHFFFAOYSA-N 0 0 514.680 5.825 50 30 KKEARN N#Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000003264034 552327799 /nfs/dbraw/zinc/32/77/99/552327799.db2.gz QDDBVYIHWALEBY-UHFFFAOYSA-N 0 0 514.916 5.660 50 30 KKEARN N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000003281121 552335932 /nfs/dbraw/zinc/33/59/32/552335932.db2.gz RNGYWAOJEKVRSU-NTCAYCPXSA-N 0 0 527.378 5.369 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 ZINC000003286633 552337897 /nfs/dbraw/zinc/33/78/97/552337897.db2.gz CVTDTPKCAJAMHR-UHFFFAOYSA-N 0 0 557.546 5.859 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Oc2cc(C)cc(C(C)C)c2)c1 ZINC000003297708 552344070 /nfs/dbraw/zinc/34/40/70/552344070.db2.gz YFZNSCKLFBYJOH-UHFFFAOYSA-N 0 0 517.569 6.738 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc3nc(SC)sc3c2)ccc1Cl ZINC000003297657 552344118 /nfs/dbraw/zinc/34/41/18/552344118.db2.gz LDDPWPODYUBUNF-UHFFFAOYSA-N 0 0 548.086 6.444 50 30 KKEARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003301238 552346221 /nfs/dbraw/zinc/34/62/21/552346221.db2.gz OMXVKUFPLIEDAE-UHFFFAOYSA-N 0 0 542.638 6.410 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003305482 552348659 /nfs/dbraw/zinc/34/86/59/552348659.db2.gz KFYZGSOBXZXJCS-UHFFFAOYSA-N 0 0 561.934 5.860 50 30 KKEARN N#Cc1ccccc1Oc1nc(CSc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000003311146 552352011 /nfs/dbraw/zinc/35/20/11/552352011.db2.gz ZGUPNINKNLWRJE-UHFFFAOYSA-N 0 0 508.466 7.289 50 30 KKEARN COc1ccc(/C=C2/N=C(SCC(=O)Nc3cccc(C#N)c3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000003334313 552360531 /nfs/dbraw/zinc/36/05/31/552360531.db2.gz DYICTFVRFHOBLI-YDZHTSKRSA-N 0 0 533.009 5.344 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4sc5c(c4c(=O)n3CC(C)C)CCCC5)sc2C1 ZINC000003354238 552367955 /nfs/dbraw/zinc/36/79/55/552367955.db2.gz AJQIRUZXHITYKX-SFHVURJKSA-N 0 0 582.861 7.198 50 30 KKEARN C=CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003355617 552369056 /nfs/dbraw/zinc/36/90/56/552369056.db2.gz XIXAXOGGKFOFKZ-UHFFFAOYSA-N 0 0 524.948 5.967 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3ccccc3F)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003358008 552369771 /nfs/dbraw/zinc/36/97/71/552369771.db2.gz IMPKXMPHVDWUTR-UHFFFAOYSA-N 0 0 500.482 5.437 50 30 KKEARN C=CCN(C(=O)c1ccccc1OCc1ccccc1Br)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003359777 552370570 /nfs/dbraw/zinc/37/05/70/552370570.db2.gz SMQHIZSQTRLBJP-UHFFFAOYSA-N 0 0 539.882 7.638 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)ccc1Cl ZINC000003367540 552374154 /nfs/dbraw/zinc/37/41/54/552374154.db2.gz TVVSUUBMYGJXRJ-UHFFFAOYSA-N 0 0 541.000 5.690 50 30 KKEARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000003625080 552395375 /nfs/dbraw/zinc/39/53/75/552395375.db2.gz JCZXAZXYCDVIQV-PPHZAIPVSA-N 0 0 524.013 5.399 50 30 KKEARN CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000003625068 552395390 /nfs/dbraw/zinc/39/53/90/552395390.db2.gz JCZXAZXYCDVIQV-XHCCPWGMSA-N 0 0 524.013 5.399 50 30 KKEARN CC1(C)NC(=S)NC[C@@]12C[C@@H](c1cccs1)c1ccc3c(c1O2)Oc1cc(C#N)c(C#N)cc1O3 ZINC000003625408 552395661 /nfs/dbraw/zinc/39/56/61/552395661.db2.gz OUCPTLJGVQKBMP-QUGAMOGWSA-N 0 0 500.605 5.299 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000003626897 552395877 /nfs/dbraw/zinc/39/58/77/552395877.db2.gz YWNZHLKUAKVBAZ-SANMLTNESA-N 0 0 566.960 5.087 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3n2)cc1OC ZINC000003629445 552396372 /nfs/dbraw/zinc/39/63/72/552396372.db2.gz IGGSYVAGSDWVPC-ZDUSSCGKSA-N 0 0 541.555 5.743 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1 ZINC000003633841 552398719 /nfs/dbraw/zinc/39/87/19/552398719.db2.gz KYZZXGOAPNDQRM-HKBQPEDESA-N 0 0 503.598 7.377 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000003639569 552399660 /nfs/dbraw/zinc/39/96/60/552399660.db2.gz LSANRHLWZKUHEJ-NIYFSFCBSA-N 0 0 511.640 5.095 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000003640152 552399866 /nfs/dbraw/zinc/39/98/66/552399866.db2.gz IUGXEQSYTBOJHE-YADARESESA-N 0 0 511.665 5.193 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000003640160 552399915 /nfs/dbraw/zinc/39/99/15/552399915.db2.gz IUGXEQSYTBOJHE-NTKDMRAZSA-N 0 0 511.665 5.193 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000003643539 552400929 /nfs/dbraw/zinc/40/09/29/552400929.db2.gz FWIBAKSKGWEBHJ-NRFANRHFSA-N 0 0 502.548 5.049 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003655242 552404068 /nfs/dbraw/zinc/40/40/68/552404068.db2.gz NXJVXAAWIMXHNQ-HNNXBMFYSA-N 0 0 523.709 5.327 50 30 KKEARN CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003658132 552405659 /nfs/dbraw/zinc/40/56/59/552405659.db2.gz LOYRUZGZANOCLE-JVWAILMASA-N 0 0 517.498 5.242 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)Nc1ccccc1 ZINC000003663998 552408276 /nfs/dbraw/zinc/40/82/76/552408276.db2.gz ODIBLFTWLBIPSQ-WYMPLXKRSA-N 0 0 545.427 6.088 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000003664611 552408574 /nfs/dbraw/zinc/40/85/74/552408574.db2.gz OUIJYYGJDCISQR-QHCPKHFHSA-N 0 0 557.554 6.789 50 30 KKEARN CCCCOc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4c5ccccc5cc5ccccc54)cc3s2)cc1 ZINC000003667034 552409526 /nfs/dbraw/zinc/40/95/26/552409526.db2.gz DNZWHJIOIDQGDG-XICOUIIWSA-N 0 0 575.759 9.263 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000003668600 552410185 /nfs/dbraw/zinc/41/01/85/552410185.db2.gz SCFQGIKXYIEBHB-HKBQPEDESA-N 0 0 557.643 7.065 50 30 KKEARN O=C(NCc1ccccc1)c1c2c(sc1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CCCC2 ZINC000003669019 552410425 /nfs/dbraw/zinc/41/04/25/552410425.db2.gz SHGMWVQKULUDQD-OKCVXOCRSA-N 0 0 564.461 7.238 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000003769013 552415402 /nfs/dbraw/zinc/41/54/02/552415402.db2.gz WFBCWBWVPWVDNL-ZHZULCJRSA-N 0 0 520.470 6.217 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000003771164 552416306 /nfs/dbraw/zinc/41/63/06/552416306.db2.gz DOCSMALMLZNSON-OAQYLSRUSA-N 0 0 526.728 6.263 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000003771696 552416950 /nfs/dbraw/zinc/41/69/50/552416950.db2.gz ISZNSUCKQLBEFA-RUZDIDTESA-N 0 0 561.751 7.700 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccccc1Cl ZINC000003772220 552417762 /nfs/dbraw/zinc/41/77/62/552417762.db2.gz MSXXPQZWGAEBAC-YUYWZBKDSA-N 0 0 555.162 9.118 50 30 KKEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000003772409 552417953 /nfs/dbraw/zinc/41/79/53/552417953.db2.gz TZJKZXJXXILPNV-WWWKDLBZSA-N 0 0 560.679 5.023 50 30 KKEARN Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000003860914 552420871 /nfs/dbraw/zinc/42/08/71/552420871.db2.gz ABIUHPWEYMSGSR-UHFFFAOYSA-N 0 0 540.229 5.250 50 30 in-vitro KKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1C=C(Br)Br ZINC000003872236 552421003 /nfs/dbraw/zinc/42/10/03/552421003.db2.gz OWZREIFADZCYQD-HBFSDRIKSA-N 0 0 505.206 6.490 50 30 KKEARN CCCC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)c(O)c1 ZINC000004016062 552426954 /nfs/dbraw/zinc/42/69/54/552426954.db2.gz WFZMHTNXSRJPOE-YTTGMZPUSA-N 0 0 598.788 8.859 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004046881 552431085 /nfs/dbraw/zinc/43/10/85/552431085.db2.gz VZYHJVWPCSXMQG-GIGWZHCTSA-N 0 0 502.655 5.474 50 30 KKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000004046390 552431188 /nfs/dbraw/zinc/43/11/88/552431188.db2.gz GBBGKEGRFVQIEB-UHFFFAOYSA-N 0 0 503.977 7.321 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccc(Cl)cc3)C4)ccc21 ZINC000004048073 552431368 /nfs/dbraw/zinc/43/13/68/552431368.db2.gz HNKOYZAXJSCCRS-KATKFWMUSA-N 0 0 518.060 8.447 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)nc1 ZINC000004048021 552431438 /nfs/dbraw/zinc/43/14/38/552431438.db2.gz QRXADXXJIDFZAA-ZNLRHDTNSA-N 0 0 530.593 6.738 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004048229 552431659 /nfs/dbraw/zinc/43/16/59/552431659.db2.gz AUUWJWBPKMUJBH-UDNBHOFDSA-N 0 0 507.033 7.899 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)c(C)c1 ZINC000004048251 552431681 /nfs/dbraw/zinc/43/16/81/552431681.db2.gz XQGABOAVELQPRC-GROPNIIDSA-N 0 0 514.720 7.328 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000004065059 552432179 /nfs/dbraw/zinc/43/21/79/552432179.db2.gz OKXGTSMGTRALDT-QCBOHVIISA-N 0 0 532.640 7.262 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004065534 552432396 /nfs/dbraw/zinc/43/23/96/552432396.db2.gz IZHBWZBKHCKFGO-BZQUYTCOSA-N 0 0 525.830 6.796 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004065782 552432473 /nfs/dbraw/zinc/43/24/73/552432473.db2.gz KRTVRUGUIIJDLW-OOWIMERYSA-N 0 0 523.629 6.199 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067247 552432606 /nfs/dbraw/zinc/43/26/06/552432606.db2.gz LQJYTRZVKSKKGJ-VWLOTQADSA-N 0 0 554.481 5.943 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004067508 552432957 /nfs/dbraw/zinc/43/29/57/552432957.db2.gz QFFUMWYJDFGFQK-IQMFZBJNSA-N 0 0 546.845 5.741 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067815 552433011 /nfs/dbraw/zinc/43/30/11/552433011.db2.gz RKNJSWMVVBCSJN-BVZFJXPGSA-N 0 0 556.453 5.105 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067817 552433168 /nfs/dbraw/zinc/43/31/68/552433168.db2.gz RKNJSWMVVBCSJN-CJAUYULYSA-N 0 0 556.453 5.105 50 30 biogenic,in-vitro KKEARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000004067945 552433195 /nfs/dbraw/zinc/43/31/95/552433195.db2.gz AABDQTZCKRRKBI-LYZGTLIUSA-N 0 0 524.057 6.308 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000004067907 552433215 /nfs/dbraw/zinc/43/32/15/552433215.db2.gz QDQPXRYDOBNTDB-RBTNQOKQSA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000004068269 552433217 /nfs/dbraw/zinc/43/32/17/552433217.db2.gz UOFXXVJASTWENW-NGQVCNFZSA-N 0 0 509.602 5.896 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(OC)c(OC)c3)C4)ccc21 ZINC000004080595 552433347 /nfs/dbraw/zinc/43/33/47/552433347.db2.gz LVJBGRNAJINNFQ-JEHQLEFQSA-N 0 0 543.667 7.811 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004079401 552433367 /nfs/dbraw/zinc/43/33/67/552433367.db2.gz IGNPKMXLTWQTIX-GZGVDWRWSA-N 0 0 566.698 7.559 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccc(OC)cc3)C4)ccc21 ZINC000004080214 552433375 /nfs/dbraw/zinc/43/33/75/552433375.db2.gz ZFRYDJVSUQJSSM-HUBRWUETSA-N 0 0 513.641 7.803 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004082323 552433842 /nfs/dbraw/zinc/43/38/42/552433842.db2.gz VZOCSQVGRSYATM-KWMCUTETSA-N 0 0 516.594 5.709 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000004082257 552433853 /nfs/dbraw/zinc/43/38/53/552433853.db2.gz FICSJMLXDXWSGV-PBYQXAPXSA-N 0 0 516.594 5.709 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000004082364 552433856 /nfs/dbraw/zinc/43/38/56/552433856.db2.gz GIVPXDGYYQXAEC-YUYWZBKDSA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004082317 552433868 /nfs/dbraw/zinc/43/38/68/552433868.db2.gz VZOCSQVGRSYATM-WRHNGFHOSA-N 0 0 516.594 5.709 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000004082691 552434153 /nfs/dbraw/zinc/43/41/53/552434153.db2.gz AFCNXEUGZMMRTC-YQPGIBNTSA-N 0 0 562.666 7.271 50 30 KKEARN CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000004082637 552434168 /nfs/dbraw/zinc/43/41/68/552434168.db2.gz CGQMHJHGBQLKRT-ROTAYESASA-N 0 0 514.622 6.481 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000004088310 552434380 /nfs/dbraw/zinc/43/43/80/552434380.db2.gz WQCYAIVAADUVBT-BZUZNSEFSA-N 0 0 500.693 7.020 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000004083726 552434406 /nfs/dbraw/zinc/43/44/06/552434406.db2.gz VGMVQPNMOWHCDC-DFQBUENJSA-N 0 0 501.633 6.350 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2cccc(C(F)(F)F)c2)c1 ZINC000004088882 552434474 /nfs/dbraw/zinc/43/44/74/552434474.db2.gz PFYYRQJBURDYRF-NCGDTODHSA-N 0 0 532.012 7.846 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004091125 552435232 /nfs/dbraw/zinc/43/52/32/552435232.db2.gz BSTDNNQAGINFHG-ZFWUUWRMSA-N 0 0 550.105 6.734 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000004092034 552435858 /nfs/dbraw/zinc/43/58/58/552435858.db2.gz PHTTUPHRFJDATI-UGWSDFGRSA-N 0 0 522.457 7.798 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004092346 552435917 /nfs/dbraw/zinc/43/59/17/552435917.db2.gz HOMMGHKWWLVOPR-JTDJMALMSA-N 0 0 545.686 6.089 50 30 KKEARN COc1ccc(Cl)cc1/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1C1CCCCC1 ZINC000004108311 552437135 /nfs/dbraw/zinc/43/71/35/552437135.db2.gz FMJIKJFSYMBYLS-RMEKRLHFSA-N 0 0 520.507 7.309 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc3ccccc3c2)N(C2CCCCC2)C1=O ZINC000004108274 552437209 /nfs/dbraw/zinc/43/72/09/552437209.db2.gz WIQBJDQWYZVKAA-NPGLLJSBSA-N 0 0 506.096 7.800 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1Cl ZINC000004109103 552437417 /nfs/dbraw/zinc/43/74/17/552437417.db2.gz IONROWMZBJSRCA-NDZAJKAJSA-N 0 0 536.080 5.539 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3ccc(O)cc3)cc2s1 ZINC000004109169 552437640 /nfs/dbraw/zinc/43/76/40/552437640.db2.gz GSJSLWUCADPWJA-SMTACHQSSA-N 0 0 502.646 6.489 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 ZINC000004109162 552437666 /nfs/dbraw/zinc/43/76/66/552437666.db2.gz FSWOFLGOYWIAHW-FJXGVQHMSA-N 0 0 503.605 5.748 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112007 552438238 /nfs/dbraw/zinc/43/82/38/552438238.db2.gz CDZCRGUQECWICD-NEEKEDPPSA-N 0 0 507.630 6.363 50 30 KKEARN CCCCOc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OCCCC)cc4)cc3)cc2)cc1 ZINC000004284393 552456181 /nfs/dbraw/zinc/45/61/81/552456181.db2.gz MTNKRTXSIXNCAP-RIGUPBQNSA-N 0 0 532.728 9.331 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000004434071 552461339 /nfs/dbraw/zinc/46/13/39/552461339.db2.gz YCUZMGUGLYKOER-UUWRZZSWSA-N 0 0 578.543 9.368 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(OC)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc(OC)c1 ZINC000004531528 552463600 /nfs/dbraw/zinc/46/36/00/552463600.db2.gz FNECHBRPZNHWQK-LEYWGUNPSA-N 0 0 589.688 6.435 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000004546265 552465697 /nfs/dbraw/zinc/46/56/97/552465697.db2.gz VQUJTJJNPHDQSI-NOBHSXMNSA-N 0 0 515.609 6.028 50 30 KKEARN CN(CCN(C)/N=C/C(Br)=C/c1ccccc1)/N=C/C(Br)=C/c1ccccc1 ZINC000004551946 552465936 /nfs/dbraw/zinc/46/59/36/552465936.db2.gz VMAPIJPUAVPTJE-YRXNJNKHSA-N 0 0 504.270 5.694 50 30 KKEARN Brc1ccc2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000004551989 552466138 /nfs/dbraw/zinc/46/61/38/552466138.db2.gz GSBMXVSNEUBQLZ-UCMJSZAQSA-N 0 0 544.456 7.963 50 30 KKEARN O=C1C=CC(=O)c2c1c1c(c3c2C2c4ccccc4C3c3ccccc32)C2c3ccccc3C1c1ccccc12 ZINC000004566031 552467959 /nfs/dbraw/zinc/46/79/59/552467959.db2.gz ABQNCCFKZBSJLW-UHFFFAOYSA-N 0 0 510.592 7.596 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000004637047 552469814 /nfs/dbraw/zinc/46/98/14/552469814.db2.gz XSXXEPJOUHVKAU-PBBNMVCDSA-N 0 0 513.588 6.031 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004636669 552469857 /nfs/dbraw/zinc/46/98/57/552469857.db2.gz PTJFSOIDZBPRGK-MMTVBGGISA-N 0 0 516.613 6.687 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000004636104 552469869 /nfs/dbraw/zinc/46/98/69/552469869.db2.gz MRDZFEGRZYNGRI-HKBQPEDESA-N 0 0 546.667 7.045 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004637364 552469877 /nfs/dbraw/zinc/46/98/77/552469877.db2.gz JUSDOPZAJKQOQS-MMTVBGGISA-N 0 0 500.545 5.974 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004641083 552469988 /nfs/dbraw/zinc/46/99/88/552469988.db2.gz BVNWDXZYJLPNQO-MHZLTWQESA-N 0 0 513.037 6.940 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000004641154 552470004 /nfs/dbraw/zinc/47/00/04/552470004.db2.gz KQALCLSTZOMBTH-HSZRJFAPSA-N 0 0 503.023 7.030 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000004788220 552482607 /nfs/dbraw/zinc/48/26/07/552482607.db2.gz LVSGNFBDCQDLFZ-JIYROHSKSA-N 0 0 567.686 5.779 50 30 KKEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793597 552485196 /nfs/dbraw/zinc/48/51/96/552485196.db2.gz SIDDUDNDRAEIJT-NRFANRHFSA-N 0 0 502.596 5.892 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[nH]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000004793566 552485235 /nfs/dbraw/zinc/48/52/35/552485235.db2.gz ILRDLLBGOXYRMA-HXUWFJFHSA-N 0 0 556.913 6.679 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[nH]c(SCc3cccc(Cl)c3)nc1N2 ZINC000004793672 552485477 /nfs/dbraw/zinc/48/54/77/552485477.db2.gz 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C=CCOc1c(Br)cc(/C=C2\SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OC ZINC000008396249 552995075 /nfs/dbraw/zinc/99/50/75/552995075.db2.gz PSWQVIFNIJBETG-ZHZULCJRSA-N 0 0 558.450 5.192 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Oc1ccc(Cl)c2ccccc12)C(Cl)(Cl)Cl ZINC000008397569 552996978 /nfs/dbraw/zinc/99/69/78/552996978.db2.gz IJHJVFIBXWJCDM-GDLZYMKVSA-N 0 0 591.491 10.946 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(OCc3ccccc3)c(OCC)c1)Nc1ccc(Br)cc1-2 ZINC000008397589 552997060 /nfs/dbraw/zinc/99/70/60/552997060.db2.gz IKOVPLGTKQZTQZ-SANMLTNESA-N 0 0 611.949 7.713 50 30 KKEARN C#CCOc1cc(Br)c(/C=C2\S/C(=N/c3cccc4ccccc43)NC2=O)cc1OCC ZINC000008397749 552997404 /nfs/dbraw/zinc/99/74/04/552997404.db2.gz QCLVMBBOLFUBPD-UCQKPKSFSA-N 0 0 507.409 5.905 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)c(C#N)c1C ZINC000008397745 552997454 /nfs/dbraw/zinc/99/74/54/552997454.db2.gz FJWRGRYBBNNJRM-UHFFFAOYSA-N 0 0 728.688 6.252 50 30 KKEARN 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C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c(OCc3ccccc3)c(OC)c1)N(C(=O)CC)c1ccccc1-2 ZINC000008398676 552999683 /nfs/dbraw/zinc/99/96/83/552999683.db2.gz NLWGPXUCAVDONK-GDLZYMKVSA-N 0 0 619.541 7.001 50 30 KKEARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OC ZINC000008398687 552999689 /nfs/dbraw/zinc/99/96/89/552999689.db2.gz SITIDPSQXXYZHR-UHFFFAOYSA-N 0 0 756.596 8.113 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008398931 553000072 /nfs/dbraw/zinc/00/00/72/553000072.db2.gz BOQPLAUTHCGLAV-QNLPTKCRSA-N 0 0 545.595 6.818 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008398935 553000089 /nfs/dbraw/zinc/00/00/89/553000089.db2.gz BOQPLAUTHCGLAV-BNHRFMORSA-N 0 0 545.595 6.818 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\N=c3\sc4ccccc4n3C)N\2c2ccccc2)cc1 ZINC000008399255 553000871 /nfs/dbraw/zinc/00/08/71/553000871.db2.gz 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COc1ccc([C@@H]2C(C(C)=O)=C(C)N=c3sc(=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)c(=O)n32)cc1 ZINC000008424305 553013219 /nfs/dbraw/zinc/01/32/19/553013219.db2.gz KTWDOJQSKGLYHX-YXDQGSNCSA-N 0 0 539.440 5.400 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000008424649 553014048 /nfs/dbraw/zinc/01/40/48/553014048.db2.gz RIDLGXNAVOKAEV-UHFFFAOYSA-N 0 0 547.209 7.850 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008424651 553014050 /nfs/dbraw/zinc/01/40/50/553014050.db2.gz JEHQHAXBRDPSNW-UHFFFAOYSA-N 0 0 547.209 7.850 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008425351 553015175 /nfs/dbraw/zinc/01/51/75/553015175.db2.gz RUXHNBATWUZMEU-IYCJABBDSA-N 0 0 783.644 6.008 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000008425414 553015408 /nfs/dbraw/zinc/01/54/08/553015408.db2.gz FEPHHBOLXIRNAZ-GJJFCCOISA-N 0 0 707.808 6.557 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000008425415 553015456 /nfs/dbraw/zinc/01/54/56/553015456.db2.gz FEPHHBOLXIRNAZ-KFFQEHSXSA-N 0 0 707.808 6.557 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)c(=O)n21 ZINC000008425866 553016761 /nfs/dbraw/zinc/01/67/61/553016761.db2.gz KWJDXLFAMNRXIQ-FSPONLMBSA-N 0 0 608.691 5.713 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n21 ZINC000008425896 553016988 /nfs/dbraw/zinc/01/69/88/553016988.db2.gz TWUVWJFPOYJLMP-TVTJZZRASA-N 0 0 694.607 6.208 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426319 553018083 /nfs/dbraw/zinc/01/80/83/553018083.db2.gz BXYLRQYFQPPSFG-DYQQXTQZSA-N 0 0 684.715 9.838 50 30 KKEARN CS(=O)(=O)C1=C(O/C(=N/C2CCCCC2)NC2CCCCC2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000008426724 553018915 /nfs/dbraw/zinc/01/89/15/553018915.db2.gz VWTMHRWKWQUPRU-AREMUKBSSA-N 0 0 535.710 5.658 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC ZINC000008430460 553021489 /nfs/dbraw/zinc/02/14/89/553021489.db2.gz DZTUGPLPGJJCJO-YUYWZBKDSA-N 0 0 562.666 7.271 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC ZINC000008430458 553021510 /nfs/dbraw/zinc/02/15/10/553021510.db2.gz DZTUGPLPGJJCJO-PBUKZNKTSA-N 0 0 562.666 7.271 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)c1 ZINC000008430568 553021802 /nfs/dbraw/zinc/02/18/02/553021802.db2.gz QYLWHHKLGKVTFH-CHAGWJKLSA-N 0 0 519.395 6.166 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000008430966 553022129 /nfs/dbraw/zinc/02/21/29/553022129.db2.gz NUISHAXADKCURG-SANMLTNESA-N 0 0 546.421 6.814 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000008431132 553022394 /nfs/dbraw/zinc/02/23/94/553022394.db2.gz QKCSXRVQBKKBGD-YTAHCYASSA-N 0 0 756.318 9.249 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008431125 553022428 /nfs/dbraw/zinc/02/24/28/553022428.db2.gz DSOCIAZTFLTVEI-TYCIJZCISA-N 0 0 825.208 10.556 50 30 KKEARN N#C[C@]1(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000008431102 553022438 /nfs/dbraw/zinc/02/24/38/553022438.db2.gz JHLFSTDSLSFEIA-AVOHDFRHSA-N 0 0 828.350 11.657 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1C ZINC000008431136 553022441 /nfs/dbraw/zinc/02/24/41/553022441.db2.gz JFLNVJYZFUGLFX-LMUGUXCZSA-N 0 0 626.580 8.341 50 30 KKEARN CCCCCCCCN1C(=O)C(=CNc2ccc3c(c2)Cc2ccccc2C3(C)C)C(=O)N(CCCC)C1=O ZINC000008431342 553022950 /nfs/dbraw/zinc/02/29/50/553022950.db2.gz NSZIKYDAITVBPU-SLEBQGDGSA-N 0 0 529.725 7.164 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000008431853 553024185 /nfs/dbraw/zinc/02/41/85/553024185.db2.gz AHAPBXKZKPLAFJ-PFFBAXFSSA-N 0 0 618.496 7.687 50 30 KKEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)N6CCCCCC6)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000008431915 553024419 /nfs/dbraw/zinc/02/44/19/553024419.db2.gz PWBAWFYUOJVDSJ-IUGPOVDRSA-N 0 0 593.893 8.301 50 30 KKEARN N#Cc1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)sc2c1CCCCCC2 ZINC000008432215 553025383 /nfs/dbraw/zinc/02/53/83/553025383.db2.gz MWHQSOSPRAKIOG-UHFFFAOYSA-N 0 0 522.740 7.009 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000008432179 553025396 /nfs/dbraw/zinc/02/53/96/553025396.db2.gz QXTHUCWQQGHXBX-UVMFRMCBSA-N 0 0 544.651 7.227 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008432619 553026646 /nfs/dbraw/zinc/02/66/46/553026646.db2.gz HKBSHSZALSQZSB-UHFFFAOYSA-N 0 0 605.738 7.086 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccccc2OCc2cccc(OC)c2)cc1 ZINC000008432694 553026925 /nfs/dbraw/zinc/02/69/25/553026925.db2.gz YCOPQXCKZFQTPT-SSEXGKCCSA-N 0 0 614.496 6.513 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433361 553028784 /nfs/dbraw/zinc/02/87/84/553028784.db2.gz RVQDZCVNAXEABN-RUZDIDTESA-N 0 0 560.672 6.408 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)nc(NCc3ccco3)n2)cc1 ZINC000008435166 553029859 /nfs/dbraw/zinc/02/98/59/553029859.db2.gz IMKBZSNSUYDZAO-QNVXDBMFSA-N 0 0 613.509 7.585 50 30 KKEARN COc1ccc(C=CC(=O)[C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@@H]2c2ccccc2)c(Br)c1OC ZINC000008435292 553030155 /nfs/dbraw/zinc/03/01/55/553030155.db2.gz OSUJTIBCMPTRBQ-XRUBXVMYSA-N 0 0 537.366 5.357 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)c2nc3ccccc3o2)cc1 ZINC000008437036 553031297 /nfs/dbraw/zinc/03/12/97/553031297.db2.gz VHHDHPIXGUQWAU-PLRJNAJWSA-N 0 0 542.429 8.453 50 30 KKEARN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1Cl ZINC000008438323 553033853 /nfs/dbraw/zinc/03/38/53/553033853.db2.gz ZIRWERROYHFBDK-WLGHQHAYSA-N 0 0 573.498 5.069 50 30 KKEARN O=C(c1ccccc1)C1=CN2c3ccccc3S[C@@](O)(c3ccccc3)[C@H]2[C@H]2Sc3ccccc3N12 ZINC000008438810 553035315 /nfs/dbraw/zinc/03/53/15/553035315.db2.gz JXOIQUZEKCZCFN-OCBJUFRSSA-N 0 0 506.652 6.489 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000008440119 553036741 /nfs/dbraw/zinc/03/67/41/553036741.db2.gz SEDHYIFVHXUKLC-CRICUBBOSA-N 0 0 590.898 5.758 50 30 biogenic,in-vitro KKEARN CCCCc1ccc(C(=O)CSc2nc3c(c(-c4ccc(OCc5ccccc5)cc4)c2C#N)CCCC3)cc1 ZINC000008440494 553037706 /nfs/dbraw/zinc/03/77/06/553037706.db2.gz BMKMFMFQLBPQRV-UHFFFAOYSA-N 0 0 546.736 8.396 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000008440438 553037724 /nfs/dbraw/zinc/03/77/24/553037724.db2.gz BYCIUHPFWULOPR-SURHFUCNSA-N 0 0 656.661 9.058 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000008440751 553038394 /nfs/dbraw/zinc/03/83/94/553038394.db2.gz OIPUMOWYUQADDC-MXBOTTGLSA-N 0 0 507.630 6.233 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000008440748 553038408 /nfs/dbraw/zinc/03/84/08/553038408.db2.gz OIPUMOWYUQADDC-SUYBVONHSA-N 0 0 507.630 6.233 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C ZINC000008440878 553038686 /nfs/dbraw/zinc/03/86/86/553038686.db2.gz GNHOSQPNEUJRGF-SANMLTNESA-N 0 0 538.482 6.422 50 30 KKEARN C=CCOc1c(I)cc(I)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000008440853 553038714 /nfs/dbraw/zinc/03/87/14/553038714.db2.gz WODMBRJUZIDGNM-SANMLTNESA-N 0 0 661.321 7.923 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000008441053 553039229 /nfs/dbraw/zinc/03/92/29/553039229.db2.gz OPTCLZWHRPTWDW-QHCPKHFHSA-N 0 0 549.446 6.467 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000008441128 553039443 /nfs/dbraw/zinc/03/94/43/553039443.db2.gz HYKVNOPMXHNWSH-UHFFFAOYSA-N 0 0 514.050 7.242 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008441193 553039734 /nfs/dbraw/zinc/03/97/34/553039734.db2.gz ADIBHJVBAUYSKS-QHCPKHFHSA-N 0 0 500.576 6.307 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008441334 553040422 /nfs/dbraw/zinc/04/04/22/553040422.db2.gz IQZANUNCHUPQIW-SSEXGKCCSA-N 0 0 552.627 5.312 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)c1C#N ZINC000008441466 553040930 /nfs/dbraw/zinc/04/09/30/553040930.db2.gz MWZFTTVTVJAALX-UHFFFAOYSA-N 0 0 509.631 6.598 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C ZINC000008441483 553040940 /nfs/dbraw/zinc/04/09/40/553040940.db2.gz YJPKKOIEKGFSNF-BUVJYCSZSA-N 0 0 535.637 5.201 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000008441510 553040947 /nfs/dbraw/zinc/04/09/47/553040947.db2.gz HQINUQOZNLTDKL-ZIXYTPEYSA-N 0 0 555.627 5.355 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000008441461 553040951 /nfs/dbraw/zinc/04/09/51/553040951.db2.gz LMKYIJWCKPHBNQ-UHFFFAOYSA-N 0 0 509.631 6.734 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000008441699 553041826 /nfs/dbraw/zinc/04/18/26/553041826.db2.gz KAJBSQFTYJWIMR-SSEXGKCCSA-N 0 0 572.642 8.235 50 30 KKEARN COc1c(I)cc(I)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1CC(C)(C)CC2=O ZINC000008442359 553043318 /nfs/dbraw/zinc/04/33/18/553043318.db2.gz SONDHXPDAKODIO-XMMPIXPASA-N 0 0 635.283 7.367 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2s1)Nc1ccc(Br)cc1 ZINC000008442525 553043899 /nfs/dbraw/zinc/04/38/99/553043899.db2.gz HWZVSJSKSYHWJX-CCVNUDIWSA-N 0 0 593.484 7.708 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000008442959 553044777 /nfs/dbraw/zinc/04/47/77/553044777.db2.gz SICKUEWAUAZJEE-TWJQNCOXSA-N 0 0 527.580 6.111 50 30 KKEARN CCOc1cc(C(=O)/N=C2\SCCN2C(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc(OCC)c1OCC ZINC000008443573 553047027 /nfs/dbraw/zinc/04/70/27/553047027.db2.gz GLIZIVLEZSKMBI-FLWNBWAVSA-N 0 0 574.696 5.464 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000008443748 553047709 /nfs/dbraw/zinc/04/77/09/553047709.db2.gz OKZPCKQORSUVNY-PGUFJCEWSA-N 0 0 577.124 8.305 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000008443747 553047853 /nfs/dbraw/zinc/04/78/53/553047853.db2.gz OKZPCKQORSUVNY-DHUJRADRSA-N 0 0 577.124 8.305 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccc(Cl)cc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008443944 553048546 /nfs/dbraw/zinc/04/85/46/553048546.db2.gz FYZFYYPNORHRMT-YTTGMZPUSA-N 0 0 582.056 7.894 50 30 KKEARN CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008444023 553048859 /nfs/dbraw/zinc/04/88/59/553048859.db2.gz LPDXPSFPULKTTL-HKBQPEDESA-N 0 0 615.608 6.770 50 30 KKEARN CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000008443984 553048862 /nfs/dbraw/zinc/04/88/62/553048862.db2.gz RTQRCAQTOGGVMY-XMMPIXPASA-N 0 0 502.533 6.189 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccccc1OCC ZINC000008444060 553049038 /nfs/dbraw/zinc/04/90/38/553049038.db2.gz OAMRIZUYZGDHNX-ZWVRTZEQSA-N 0 0 538.688 7.575 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000008444125 553049284 /nfs/dbraw/zinc/04/92/84/553049284.db2.gz JEEHTRCHNXMPPE-BFXRBFBZSA-N 0 0 576.696 8.480 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444387 553050153 /nfs/dbraw/zinc/05/01/53/553050153.db2.gz SQNLOVGMGPBLCH-UXCMTWRGSA-N 0 0 559.685 7.886 50 30 KKEARN CC(C)Oc1ccc(Br)cc1/C=C1\CCC/C(=C\c2cc(Br)ccc2OC(C)C)C1=O ZINC000008444384 553050173 /nfs/dbraw/zinc/05/01/73/553050173.db2.gz KHEAHQWFFUZTHH-KLCVKJMQSA-N 0 0 548.315 8.006 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444416 553050350 /nfs/dbraw/zinc/05/03/50/553050350.db2.gz GUCNKWSFXQPOMB-GUZYMRFCSA-N 0 0 541.695 7.747 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000008444535 553050615 /nfs/dbraw/zinc/05/06/15/553050615.db2.gz XUHHBDMKAPSNPI-WNMQOVRZSA-N 0 0 526.009 6.569 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008445043 553052868 /nfs/dbraw/zinc/05/28/68/553052868.db2.gz COEMBAIQPMCBAO-WAQHJAAWSA-N 0 0 576.696 8.480 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008445055 553052879 /nfs/dbraw/zinc/05/28/79/553052879.db2.gz CUUBOOGZSDIXGV-UDNBHOFDSA-N 0 0 539.632 7.084 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000008445028 553052896 /nfs/dbraw/zinc/05/28/96/553052896.db2.gz NLRQTCDMNVYRMV-NRUKRWIHSA-N 0 0 523.633 7.384 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccccc3)C2)cc1 ZINC000008445032 553052922 /nfs/dbraw/zinc/05/29/22/553052922.db2.gz TVAGVIVWGNMFHJ-WJVKJDHCSA-N 0 0 542.679 8.080 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008445105 553053108 /nfs/dbraw/zinc/05/31/08/553053108.db2.gz KWCOWRNANSWYIX-UXCMTWRGSA-N 0 0 535.732 8.014 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCCC)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008445119 553053128 /nfs/dbraw/zinc/05/31/28/553053128.db2.gz PVFPRHNXQAMJFF-LHAPQZOASA-N 0 0 552.715 7.965 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCCC)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000008445118 553053150 /nfs/dbraw/zinc/05/31/50/553053150.db2.gz PVFPRHNXQAMJFF-XKWLHOGNSA-N 0 0 552.715 7.965 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008445106 553053154 /nfs/dbraw/zinc/05/31/54/553053154.db2.gz KWCOWRNANSWYIX-JCVFDAPQSA-N 0 0 535.732 8.014 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008445107 553053198 /nfs/dbraw/zinc/05/31/98/553053198.db2.gz WDTNHCDLAXJEON-NHRFMIRVSA-N 0 0 569.658 7.093 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2Cl)c1C#N ZINC000008445780 553054920 /nfs/dbraw/zinc/05/49/20/553054920.db2.gz ZKZJZUQYTSHCOO-UHFFFAOYSA-N 0 0 512.078 7.851 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2C#N)ccc1OCc1ccccc1 ZINC000008445875 553055116 /nfs/dbraw/zinc/05/51/16/553055116.db2.gz FOGFYVGUBJXMMJ-UHFFFAOYSA-N 0 0 599.756 8.613 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2ccc(Br)cc2)c1C#N ZINC000008445834 553055120 /nfs/dbraw/zinc/05/51/20/553055120.db2.gz PZLANAGLMJGGNP-UHFFFAOYSA-N 0 0 544.474 7.098 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000008445859 553055123 /nfs/dbraw/zinc/05/51/23/553055123.db2.gz VTQCACAHPQZKOF-UHFFFAOYSA-N 0 0 533.575 7.436 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N ZINC000008445831 553055169 /nfs/dbraw/zinc/05/51/69/553055169.db2.gz HZRNJYIPVZYKMG-UHFFFAOYSA-N 0 0 523.658 6.906 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)cc3Br)c2C#N)ccc1OCc1ccccc1 ZINC000008446354 553055574 /nfs/dbraw/zinc/05/55/74/553055574.db2.gz BCCSEVCJSLLJMV-UHFFFAOYSA-N 0 0 664.625 9.067 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@H]1CCCC[C@@H]1[S@](=O)Cc1ccccc1 ZINC000008448619 553056265 /nfs/dbraw/zinc/05/62/65/553056265.db2.gz LWFZMPQZNNSCAO-CDAPLXIKSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCCS(=O)(=O)C[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000008448611 553056269 /nfs/dbraw/zinc/05/62/69/553056269.db2.gz IUEQDOZAXJNTPS-VWLOTQADSA-N 0 0 522.736 6.516 50 30 KKEARN CCCCCCCOC(=O)[C@@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000008448998 553056706 /nfs/dbraw/zinc/05/67/06/553056706.db2.gz CDXYFTGUDIKVGD-GFCCVEGCSA-N 0 0 780.143 9.859 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008449343 553057027 /nfs/dbraw/zinc/05/70/27/553057027.db2.gz ZDAYPYLBUQYHSO-SNCTXLDRSA-N 0 0 543.748 7.513 50 30 KKEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008450287 553057997 /nfs/dbraw/zinc/05/79/97/553057997.db2.gz CHCYCPQGPFJEAA-SSEXGKCCSA-N 0 0 578.116 6.890 50 30 KKEARN Cc1cc(OCc2ccc([C@H]3C(C(=O)Nc4ccccn4)=C(C)NC4=C3C(=O)CCC4)o2)ccc1Cl ZINC000008450358 553058036 /nfs/dbraw/zinc/05/80/36/553058036.db2.gz KLLISTXEAJJCAI-MHZLTWQESA-N 0 0 503.986 5.822 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1CSc1ccccc1 ZINC000008450305 553058040 /nfs/dbraw/zinc/05/80/40/553058040.db2.gz PCJYYZFXQFRWAI-PMERELPUSA-N 0 0 553.728 6.934 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=N)S1 ZINC000008450615 553058768 /nfs/dbraw/zinc/05/87/68/553058768.db2.gz JEVFYMUDMHDXPZ-IUWMJDHMSA-N 0 0 543.693 6.709 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008450778 553058984 /nfs/dbraw/zinc/05/89/84/553058984.db2.gz CQARRPBVHYMDMO-QTYPKTMWSA-N 0 0 572.658 6.040 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000008450868 553059493 /nfs/dbraw/zinc/05/94/93/553059493.db2.gz YGNNNJMGASLOMP-ZSWKDXAVSA-N 0 0 707.800 5.759 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000008451081 553060117 /nfs/dbraw/zinc/06/01/17/553060117.db2.gz CNJJRCNUHNYVNO-UHFFFAOYSA-N 0 0 547.658 6.114 50 30 KKEARN C=CCSc1nc2ccc(NC(=O)c3sc4nc(-c5ccc(OC)cc5)ccc4c3N)cc2s1 ZINC000008451054 553060119 /nfs/dbraw/zinc/06/01/19/553060119.db2.gz AUEQWCZVBGATHD-UHFFFAOYSA-N 0 0 504.662 6.694 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cccs3)cc(-c3cccs3)c1C#N)CCC2 ZINC000008451123 553060367 /nfs/dbraw/zinc/06/03/67/553060367.db2.gz YDLAEUMRGLATNC-UHFFFAOYSA-N 0 0 551.740 6.868 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000008451156 553060405 /nfs/dbraw/zinc/06/04/05/553060405.db2.gz GTIPZRWVGJQUFQ-UHFFFAOYSA-N 0 0 548.543 5.927 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C3CC3)cc(C(F)(F)F)c1C#N)CCCC2 ZINC000008451249 553060562 /nfs/dbraw/zinc/06/05/62/553060562.db2.gz UMIKUHDQCCUVIS-UHFFFAOYSA-N 0 0 509.575 5.697 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OCC ZINC000008451865 553062216 /nfs/dbraw/zinc/06/22/16/553062216.db2.gz YGAKDGHHHGOKRH-IIEVRXRISA-N 0 0 519.417 5.024 50 30 KKEARN CCN1c2ccc([N+](=O)[O-])cc2/C(=C2/S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)C1=O ZINC000008452802 553064689 /nfs/dbraw/zinc/06/46/89/553064689.db2.gz FSWZOJKAHMNHFN-XNCFIDCASA-N 0 0 526.618 6.374 50 30 KKEARN C=CCc1ccc(OCCOc2c(Br)cc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)cc2OC)c(OC)c1 ZINC000008453117 553065434 /nfs/dbraw/zinc/06/54/34/553065434.db2.gz MNLALITUZMPAJC-PPOKSSTKSA-N 0 0 651.606 6.089 50 30 KKEARN COc1cc(OC(=O)c2cccc(Br)c2)ccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008453705 553066645 /nfs/dbraw/zinc/06/66/45/553066645.db2.gz WXFQPERVNVPUNB-NDZAJKAJSA-N 0 0 594.514 5.289 50 30 KKEARN COc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)c(Br)c1OC ZINC000008453996 553067078 /nfs/dbraw/zinc/06/70/78/553067078.db2.gz NZTIRGIPJQEVER-LGJNPRDNSA-N 0 0 542.231 6.285 50 30 KKEARN CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(Oc3ncc(C#N)c(Nc4ccccc4)c3C#N)cc21 ZINC000008453876 553067189 /nfs/dbraw/zinc/06/71/89/553067189.db2.gz HLXFPLMTLZFVIM-UHFFFAOYSA-N 0 0 592.453 7.552 50 30 KKEARN COc1cccc(-c2cc(C(=O)Nc3scc(-c4cc(C)ccc4C)c3C#N)c3cc(Br)ccc3n2)c1 ZINC000008454346 553068339 /nfs/dbraw/zinc/06/83/39/553068339.db2.gz ANFSRNPVECJTHV-UHFFFAOYSA-N 0 0 568.496 8.142 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008455758 553073395 /nfs/dbraw/zinc/07/33/95/553073395.db2.gz SSCXLQJNPOIRID-NIYFSFCBSA-N 0 0 510.943 7.111 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Br)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008455841 553073983 /nfs/dbraw/zinc/07/39/83/553073983.db2.gz IZLLPMLNHRTFFU-WBHUJUFNSA-N 0 0 612.541 7.704 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl)CCCC2 ZINC000008456351 553074476 /nfs/dbraw/zinc/07/44/76/553074476.db2.gz KLXPNQINRNMGEO-VPUKRXIYSA-N 0 0 693.175 8.344 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2C#N)C1 ZINC000008456756 553074978 /nfs/dbraw/zinc/07/49/78/553074978.db2.gz VTMZWCMYTASDDX-MRVPVSSYSA-N 0 0 542.414 6.608 50 30 KKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CC(C)(C)CC2=O ZINC000008461817 553075424 /nfs/dbraw/zinc/07/54/24/553075424.db2.gz MZZDPEIHEHHNHB-UHFFFAOYSA-N 0 0 609.594 8.025 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008461811 553075470 /nfs/dbraw/zinc/07/54/70/553075470.db2.gz WBMPLVGQFCQODP-UHFFFAOYSA-N 0 0 625.593 7.643 50 30 KKEARN CCc1cc(C)cc(OCCOc2c(Cl)cc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)cc2OC)c1 ZINC000008492265 553075876 /nfs/dbraw/zinc/07/58/76/553075876.db2.gz MGFMMEPPLSVSAA-QNKGDIEWSA-N 0 0 579.145 6.114 50 30 KKEARN Clc1ccc(OCCOc2c(Cl)cc(Cl)cc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000008492933 553076104 /nfs/dbraw/zinc/07/61/04/553076104.db2.gz ZUUXKYDNUIUKIW-OCSSWDANSA-N 0 0 576.916 5.936 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000008566447 553078014 /nfs/dbraw/zinc/07/80/14/553078014.db2.gz BZDYDESTEZRCRT-LJAQVGFWSA-N 0 0 553.567 5.417 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000008566444 553078016 /nfs/dbraw/zinc/07/80/16/553078016.db2.gz XWOBBDBSFGDQLE-PMERELPUSA-N 0 0 563.610 5.886 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008559375 553078034 /nfs/dbraw/zinc/07/80/34/553078034.db2.gz WISRECGSAIRTEM-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)CS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008589856 553081464 /nfs/dbraw/zinc/08/14/64/553081464.db2.gz KZQYYCVEQUPZLC-XMMPIXPASA-N 0 0 530.671 5.364 50 30 aggregator KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)CS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000008589855 553081518 /nfs/dbraw/zinc/08/15/18/553081518.db2.gz KZQYYCVEQUPZLC-DEOSSOPVSA-N 0 0 530.671 5.364 50 30 aggregator KKEARN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCN=C1c1ccccc1SCc1c(F)cccc1Cl ZINC000008616580 553102416 /nfs/dbraw/zinc/10/24/16/553102416.db2.gz DKLIYRYAIVUYPK-UHFFFAOYSA-N 0 0 611.004 7.650 50 30 KKEARN O[C@@H](c1ccccc1)C(N=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000008626855 553104531 /nfs/dbraw/zinc/10/45/31/553104531.db2.gz APYVRZJMFQGHSR-BCUXKUJPSA-N 0 0 532.647 8.027 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)sc2C1 ZINC000008636900 553105665 /nfs/dbraw/zinc/10/56/65/553105665.db2.gz HQZWKLZLITUOSH-INIZCTEOSA-N 0 0 520.083 6.376 50 30 KKEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=N)NOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000008648826 553107286 /nfs/dbraw/zinc/10/72/86/553107286.db2.gz ZIXLTKMQVMGBGG-UHFFFAOYSA-N 0 0 523.735 6.190 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000008657310 553108702 /nfs/dbraw/zinc/10/87/02/553108702.db2.gz SRDXIOVTARPBAS-NDEPHWFRSA-N 0 0 591.668 5.234 50 30 KKEARN CC(C)C[C@@H](C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)N1C(=O)c2ccccc2C1=O ZINC000008685731 553114747 /nfs/dbraw/zinc/11/47/47/553114747.db2.gz QEBSGLRDNLYDIO-VWLOTQADSA-N 0 0 503.558 6.135 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OCc1ccccc1 ZINC000008694802 553120659 /nfs/dbraw/zinc/12/06/59/553120659.db2.gz CGDUXDLEDDTQSJ-UUWRZZSWSA-N 0 0 558.678 7.731 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3cc(C(=O)c4ccccc4)ccc3[nH]1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000008695085 553120857 /nfs/dbraw/zinc/12/08/57/553120857.db2.gz JVGGMFVNRXUWFF-UUWRZZSWSA-N 0 0 621.568 8.917 50 30 KKEARN Cc1[nH]c2ccccc2c1CCNC(c1ccccc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000008695155 553120872 /nfs/dbraw/zinc/12/08/72/553120872.db2.gz TTWVDKQNXOGSPR-LLZINOMRSA-N 0 0 540.623 6.324 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccccc23)c2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695167 553121188 /nfs/dbraw/zinc/12/11/88/553121188.db2.gz IMZVGURZROASER-GXVXDJONSA-N 0 0 544.586 6.155 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1Cl ZINC000008695516 553121864 /nfs/dbraw/zinc/12/18/64/553121864.db2.gz HRPLNBNPMJCZIK-ZCTHSVRISA-N 0 0 544.059 6.293 50 30 KKEARN Clc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000008695514 553121932 /nfs/dbraw/zinc/12/19/32/553121932.db2.gz IBJBXIBJTHOLPE-NDZAJKAJSA-N 0 0 514.033 6.284 50 30 KKEARN CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008695588 553122253 /nfs/dbraw/zinc/12/22/53/553122253.db2.gz MHFJRRFBLLMGGM-QZDQGYFBSA-N 0 0 602.731 8.096 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc(Cl)c1 ZINC000008695623 553122396 /nfs/dbraw/zinc/12/23/96/553122396.db2.gz MYNAMKRMYVTVBH-WYOOIXGGSA-N 0 0 559.106 7.838 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc(Cl)c1 ZINC000008695624 553122431 /nfs/dbraw/zinc/12/24/31/553122431.db2.gz MYNAMKRMYVTVBH-FLASPHMUSA-N 0 0 559.106 7.838 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2ccc(OC)c(OC)c2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008702677 553125741 /nfs/dbraw/zinc/12/57/41/553125741.db2.gz PIAWZKDHXPIIDX-OVVQPSECSA-N 0 0 522.610 5.393 50 30 KKEARN CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)cc21 ZINC000008733437 553130390 /nfs/dbraw/zinc/13/03/90/553130390.db2.gz FHGGXLGPJQIDLM-UHFFFAOYSA-N 0 0 502.574 7.227 50 30 KKEARN O=C(O/N=C(/c1cc2cc(Br)cc(Br)c2o1)c1ccccc1)c1cccs1 ZINC000008762427 553137575 /nfs/dbraw/zinc/13/75/75/553137575.db2.gz KEXUTFGSUOHELG-PTGBLXJZSA-N 0 0 505.187 6.629 50 30 KKEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000008770325 553140660 /nfs/dbraw/zinc/14/06/60/553140660.db2.gz QRTAAPQZINQBME-OGLMXYFKSA-N 0 0 513.978 5.794 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000008780641 553144196 /nfs/dbraw/zinc/14/41/96/553144196.db2.gz FFADTWNXPGLRJO-JIPXPUAJSA-N 0 0 507.652 5.449 50 30 KKEARN Clc1ccccc1COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000008809743 553148251 /nfs/dbraw/zinc/14/82/51/553148251.db2.gz OHQUNAZIQVNCRM-NDZAJKAJSA-N 0 0 514.033 6.284 50 30 KKEARN COc1cc(C=NNc2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc21 ZINC000008813849 553151025 /nfs/dbraw/zinc/15/10/25/553151025.db2.gz HDMSJRMXEYVWQB-RWPZCVJISA-N 0 0 501.384 6.512 50 30 KKEARN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008836112 553162948 /nfs/dbraw/zinc/16/29/48/553162948.db2.gz CENLXBPKHZZEHS-HHHXNRCGSA-N 0 0 519.649 5.064 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cccnc1 ZINC000008846351 553166093 /nfs/dbraw/zinc/16/60/93/553166093.db2.gz SGFYSGLIADLYHD-INJOXJOKSA-N 0 0 521.705 7.860 50 30 KKEARN CCCCCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(=O)OC)cc2)c1 ZINC000008846523 553166234 /nfs/dbraw/zinc/16/62/34/553166234.db2.gz ZTPYXHMSKICKHL-MHZLTWQESA-N 0 0 513.590 6.215 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000008846799 553166611 /nfs/dbraw/zinc/16/66/11/553166611.db2.gz NNWMFSOQZGQOOM-SLQAJWMNSA-N 0 0 530.621 6.099 50 30 KKEARN Clc1ccc([C@@H]2C[C@@H]2/C(=N/OCc2ccc(Cl)cc2Cl)c2ccc(Br)cc2)cc1 ZINC000008857100 553168064 /nfs/dbraw/zinc/16/80/64/553168064.db2.gz UJSYSSZZJMLTGZ-FLUWZFHISA-N 0 0 509.658 8.134 50 30 KKEARN CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@](C#N)(c2ccccc2)C3)cc1OC ZINC000008861331 553170310 /nfs/dbraw/zinc/17/03/10/553170310.db2.gz ZVLIXZFKMVDYLQ-GDLZYMKVSA-N 0 0 518.635 5.925 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000008867194 553170528 /nfs/dbraw/zinc/17/05/28/553170528.db2.gz QJIFCLKNNUGFSN-RPHWMWBOSA-N 0 0 507.999 5.287 50 30 KKEARN Brc1ccc(OCc2ccccc2)c(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000008872132 553172240 /nfs/dbraw/zinc/17/22/40/553172240.db2.gz NBLYWDXZOLSJRG-ZCTHSVRISA-N 0 0 566.463 7.146 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c1 ZINC000008872295 553172943 /nfs/dbraw/zinc/17/29/43/553172943.db2.gz CLUBREMGMOPTQA-WGOQTCKBSA-N 0 0 510.986 5.120 50 30 KKEARN Clc1ccccc1COc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008872242 553172949 /nfs/dbraw/zinc/17/29/49/553172949.db2.gz XEBNGKMGEXKKRT-ZCTHSVRISA-N 0 0 522.012 7.037 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008872370 553173323 /nfs/dbraw/zinc/17/33/23/553173323.db2.gz BTCXRUYRKFQFNK-DPNNOFEESA-N 0 0 586.483 7.699 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccccc3OC)c(OC)c2)SC1=S ZINC000008872429 553173324 /nfs/dbraw/zinc/17/33/24/553173324.db2.gz UNCGKCCPGZZCCI-ZHZULCJRSA-N 0 0 583.469 5.153 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000008872378 553173329 /nfs/dbraw/zinc/17/33/29/553173329.db2.gz UKQBHVNRCNUVAY-VUTHCHCSSA-N 0 0 506.054 5.531 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1ccccc1I ZINC000008872393 553173338 /nfs/dbraw/zinc/17/33/38/553173338.db2.gz HKAMYGKJPXLCOF-FMFFXOCNSA-N 0 0 671.499 7.027 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000008872391 553173347 /nfs/dbraw/zinc/17/33/47/553173347.db2.gz NEMITTYEAZKPOH-ZCTHSVRISA-N 0 0 649.493 5.884 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S ZINC000008872427 553173351 /nfs/dbraw/zinc/17/33/51/553173351.db2.gz HEFPAXVGSWXCHK-STZFKDTASA-N 0 0 581.497 5.762 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C)c(C)c3)c(OCC)c2)SC1=S ZINC000008872423 553173363 /nfs/dbraw/zinc/17/33/63/553173363.db2.gz JWHSFYMHHDQGEH-JCMHNJIXSA-N 0 0 504.073 6.201 50 30 KKEARN FC(F)(F)c1nnc2c(N3CCC(=NOCc4cccc(Cl)c4)CC3)nc3ccc(Cl)cc3n21 ZINC000008873772 553174823 /nfs/dbraw/zinc/17/48/23/553174823.db2.gz VJTZNVIFQOPPDJ-UHFFFAOYSA-N 0 0 509.319 5.776 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008894058 553177506 /nfs/dbraw/zinc/17/75/06/553177506.db2.gz UBEWZONMWZKHEN-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894164 553177575 /nfs/dbraw/zinc/17/75/75/553177575.db2.gz XFMSGMNWDGLOQM-VWLOTQADSA-N 0 0 517.050 7.418 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008902583 553182818 /nfs/dbraw/zinc/18/28/18/553182818.db2.gz MNBUAVHSQDJVGP-QFIPXVFZSA-N 0 0 520.994 6.058 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000008914681 553185743 /nfs/dbraw/zinc/18/57/43/553185743.db2.gz WNSNAVRIAZQGCH-UUROJUAVSA-N 0 0 512.009 5.340 50 30 KKEARN C=CCN(C(=O)[C@@]1(C)c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1Cc1ccc(F)cc1)c1ccccc1 ZINC000008916448 553186543 /nfs/dbraw/zinc/18/65/43/553186543.db2.gz JAKJQUFKJFDWGS-GDLZYMKVSA-N 0 0 516.956 5.676 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008916512 553186577 /nfs/dbraw/zinc/18/65/77/553186577.db2.gz WLBTWEJSMDEORT-ZTOMLWHTSA-N 0 0 520.069 6.976 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC ZINC000008916893 553187199 /nfs/dbraw/zinc/18/71/99/553187199.db2.gz DRNCZVLJDCPAIQ-MUUNZHRXSA-N 0 0 513.663 6.717 50 30 KKEARN COc1c(Br)cc(Br)cc1/C=C1/S/C(=N/c2ccccc2Cl)NC1=O ZINC000008935067 553193223 /nfs/dbraw/zinc/19/32/23/553193223.db2.gz PVXYYZXDEDOTDA-VGOFMYFVSA-N 0 0 502.615 5.765 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973241 553195208 /nfs/dbraw/zinc/19/52/08/553195208.db2.gz IQYYAVCCXWOSFN-QFIPXVFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008974032 553195734 /nfs/dbraw/zinc/19/57/34/553195734.db2.gz IVFVURYYCMLERU-XMMPIXPASA-N 0 0 519.022 6.748 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008980496 553195970 /nfs/dbraw/zinc/19/59/70/553195970.db2.gz MBZNBVPJSMBLCD-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc(N2C(=S)N=C(N[C@@H](/C=C/c3ccc(Cl)cc3Cl)C(C)(C)C)C23CCCCC3)cc1 ZINC000008983877 553196250 /nfs/dbraw/zinc/19/62/50/553196250.db2.gz CUXQZNKFQPGPQG-RGCCYVKUSA-N 0 0 530.565 7.926 50 30 KKEARN CN(C)c1ccc(CN=Nc2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008984330 553196272 /nfs/dbraw/zinc/19/62/72/553196272.db2.gz VUAGXTXKQCJBFN-OCSSWDANSA-N 0 0 507.520 5.795 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000008986611 553196568 /nfs/dbraw/zinc/19/65/68/553196568.db2.gz HHTUVXPNMJHIAL-GDLZYMKVSA-N 0 0 503.042 7.540 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000008994509 553196962 /nfs/dbraw/zinc/19/69/62/553196962.db2.gz QDEIVCZTHRBAPE-JKFCTSDTSA-N 0 0 514.625 7.186 50 30 KKEARN O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC000008996747 553197475 /nfs/dbraw/zinc/19/74/75/553197475.db2.gz HIBWFNCVZOJGRY-RWPZCVJISA-N 0 0 500.356 5.010 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009008368 553198817 /nfs/dbraw/zinc/19/88/17/553198817.db2.gz BXKFLBSWURFIJO-QHCPKHFHSA-N 0 0 508.596 5.349 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009008520 553199101 /nfs/dbraw/zinc/19/91/01/553199101.db2.gz XKNIAFOCWAIRQH-DEOSSOPVSA-N 0 0 502.592 6.503 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000009010198 553199636 /nfs/dbraw/zinc/19/96/36/553199636.db2.gz BDIROGJSONMMGD-HFJWLAOPSA-N 0 0 526.029 5.766 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000009018938 553200755 /nfs/dbraw/zinc/20/07/55/553200755.db2.gz XRBJJPVEXFKDID-GPNASLBKSA-N 0 0 520.673 7.303 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(CC)cc2)cc1C ZINC000009019244 553200969 /nfs/dbraw/zinc/20/09/69/553200969.db2.gz YMJNLLRXTZBXHH-NDEPHWFRSA-N 0 0 520.670 5.037 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009019478 553201004 /nfs/dbraw/zinc/20/10/04/553201004.db2.gz XFTUXURKZRVUPX-MUUNZHRXSA-N 0 0 512.650 6.501 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009019726 553201225 /nfs/dbraw/zinc/20/12/25/553201225.db2.gz AMJFUHJVOZYLSC-MUUNZHRXSA-N 0 0 506.558 5.969 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)cc1OC ZINC000009020085 553201319 /nfs/dbraw/zinc/20/13/19/553201319.db2.gz HRWDYOIXFQVEIV-MUUNZHRXSA-N 0 0 531.605 5.206 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009041934 553202414 /nfs/dbraw/zinc/20/24/14/553202414.db2.gz AQEGTNHDCMRSMR-XMMPIXPASA-N 0 0 500.576 5.877 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc(Cl)c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009043139 553202891 /nfs/dbraw/zinc/20/28/91/553202891.db2.gz SKZVPBWBBAYSBV-WENCNXQZSA-N 0 0 517.025 6.668 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009043567 553202895 /nfs/dbraw/zinc/20/28/95/553202895.db2.gz GRLWEANXIXANGQ-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000009044782 553203294 /nfs/dbraw/zinc/20/32/94/553203294.db2.gz RDFNQNNLVJAUOT-NDEPHWFRSA-N 0 0 506.558 5.969 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)cc2)Nc2ccc(OCCc3ccccc3)cc2)n1 ZINC000009057625 553204628 /nfs/dbraw/zinc/20/46/28/553204628.db2.gz WEDUFRCGGHKLOK-UHFFFAOYSA-N 0 0 515.017 6.480 50 30 KKEARN CCOc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009065547 553205913 /nfs/dbraw/zinc/20/59/13/553205913.db2.gz FZGNRLWKOBMKDZ-GZZLJNBRSA-N 0 0 531.722 6.589 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@@H]2c1ccc(F)cc1 ZINC000009066973 553206334 /nfs/dbraw/zinc/20/63/34/553206334.db2.gz RTSURMGNNYXQDD-AREMUKBSSA-N 0 0 519.414 7.045 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000009068332 553206574 /nfs/dbraw/zinc/20/65/74/553206574.db2.gz ONQFSNCEYQZHNT-GPNASLBKSA-N 0 0 518.588 7.049 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009072906 553207077 /nfs/dbraw/zinc/20/70/77/553207077.db2.gz XFOZMXCEGDDLCH-NRFANRHFSA-N 0 0 506.580 5.118 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000009075945 553207449 /nfs/dbraw/zinc/20/74/49/553207449.db2.gz UZFMAKVEUCVRQZ-JVEWKGNHSA-N 0 0 522.026 5.677 50 30 KKEARN COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)c1 ZINC000009075843 553207534 /nfs/dbraw/zinc/20/75/34/553207534.db2.gz ZNJVSACKUSMQEH-QPRQTZNDSA-N 0 0 513.541 5.875 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009110981 553210111 /nfs/dbraw/zinc/21/01/11/553210111.db2.gz STZHJULUEGBVJZ-JCYPVTIPSA-N 0 0 509.480 5.905 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000009113419 553210736 /nfs/dbraw/zinc/21/07/36/553210736.db2.gz IDOBUNAFIPLMJB-WHLCRQNOSA-N 0 0 529.589 5.043 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009123726 553212570 /nfs/dbraw/zinc/21/25/70/553212570.db2.gz GNSNIWHKHPFHOB-QHCPKHFHSA-N 0 0 514.559 5.183 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009123717 553212592 /nfs/dbraw/zinc/21/25/92/553212592.db2.gz OXQMLXXWPYDWRM-XMMPIXPASA-N 0 0 517.050 7.339 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124463 553212915 /nfs/dbraw/zinc/21/29/15/553212915.db2.gz CQGJLYZALSCQQT-LMKMVOKYSA-N 0 0 512.587 5.725 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009158244 553215004 /nfs/dbraw/zinc/21/50/04/553215004.db2.gz SZHPCYPHLAWEPB-BGOLNKOXSA-N 0 0 512.606 6.023 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009160927 553215463 /nfs/dbraw/zinc/21/54/63/553215463.db2.gz SAQFFNVKMSYHBU-SANMLTNESA-N 0 0 502.567 5.056 50 30 KKEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC000009174377 553216079 /nfs/dbraw/zinc/21/60/79/553216079.db2.gz XCCIHEYNTPEQJB-WKULSOCRSA-N 0 0 514.383 5.319 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009176687 553216287 /nfs/dbraw/zinc/21/62/87/553216287.db2.gz DBRLPKHVHGDHKT-QHCPKHFHSA-N 0 0 504.995 6.440 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000009176838 553216297 /nfs/dbraw/zinc/21/62/97/553216297.db2.gz JHEZTIHBGWOWEC-RUZDIDTESA-N 0 0 525.432 6.654 50 30 KKEARN COc1cc(C=C2Oc3cc(OCC(=O)c4oc5ccc(F)cc5c4C)ccc3C2=O)cc(OC)c1OC ZINC000009184523 553216847 /nfs/dbraw/zinc/21/68/47/553216847.db2.gz SNQIMBZHJAAOOH-OPVMPGTRSA-N 0 0 518.493 5.784 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@H]2c1cccnc1 ZINC000009185678 553217375 /nfs/dbraw/zinc/21/73/75/553217375.db2.gz GROPEUSLTMSKRK-VWLOTQADSA-N 0 0 502.412 6.301 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185741 553217379 /nfs/dbraw/zinc/21/73/79/553217379.db2.gz NLCVIKLSWYQEMI-DEOSSOPVSA-N 0 0 519.022 6.694 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccco1)c1ccccc1 ZINC000009187293 553217889 /nfs/dbraw/zinc/21/78/89/553217889.db2.gz CURKAMLTOJTWKL-QYZUTXGSSA-N 0 0 517.549 5.438 50 30 KKEARN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000009187013 553217921 /nfs/dbraw/zinc/21/79/21/553217921.db2.gz SQXFGFXGYTUPFJ-BUVRLJJBSA-N 0 0 515.616 5.082 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000009190017 553218306 /nfs/dbraw/zinc/21/83/06/553218306.db2.gz MVURFWVERIYHRR-ZEQRLZLVSA-N 0 0 506.598 6.619 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000009195614 553219711 /nfs/dbraw/zinc/21/97/11/553219711.db2.gz QKEXHEXLFRRNBI-GJBXTBEHSA-N 0 0 525.693 7.607 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(C3CCCCCC3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009215783 553221564 /nfs/dbraw/zinc/22/15/64/553221564.db2.gz WUMRVESIMPLUKO-HHHXNRCGSA-N 0 0 520.592 5.713 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)cc1 ZINC000009216253 553221578 /nfs/dbraw/zinc/22/15/78/553221578.db2.gz VLNVNGQHTGREGZ-FFUKGRFASA-N 0 0 523.593 5.241 50 30 KKEARN COc1ccc(-n2ncc(C(=O)Nc3ccc(CC#N)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009228037 553222931 /nfs/dbraw/zinc/22/29/31/553222931.db2.gz PMYOFAJBWAZWPA-UHFFFAOYSA-N 0 0 515.614 5.314 50 30 KKEARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccc(CC#N)cc3)cnn2-c2cccc(F)c2)CC1 ZINC000009228123 553223234 /nfs/dbraw/zinc/22/32/34/553223234.db2.gz HTTMMXNKRFMMJY-UHFFFAOYSA-N 0 0 503.578 5.444 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237514 553225813 /nfs/dbraw/zinc/22/58/13/553225813.db2.gz SVBVLOGRBYENKX-XMMPIXPASA-N 0 0 500.551 6.092 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009240281 553226168 /nfs/dbraw/zinc/22/61/68/553226168.db2.gz QSTWOUCDCYNHPM-HHHXNRCGSA-N 0 0 516.594 5.221 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000009242426 553226256 /nfs/dbraw/zinc/22/62/56/553226256.db2.gz PKCOIICXXGNWAD-DEOSSOPVSA-N 0 0 502.567 6.179 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000009242398 553226318 /nfs/dbraw/zinc/22/63/18/553226318.db2.gz DPMNCOOJGPQREK-XMMPIXPASA-N 0 0 514.559 5.249 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009240974 553226384 /nfs/dbraw/zinc/22/63/84/553226384.db2.gz ZMBPYPWCLSWGER-VWLOTQADSA-N 0 0 500.595 6.959 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000009243371 553226741 /nfs/dbraw/zinc/22/67/41/553226741.db2.gz MJHZOVCVBPPUHF-GQIGMWPISA-N 0 0 505.614 7.033 50 30 KKEARN O=C(Nc1ccccc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264245 553228777 /nfs/dbraw/zinc/22/87/77/553228777.db2.gz ZMTLLOWRWUKORV-WRONEBCDSA-N 0 0 509.993 7.539 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2)cc1 ZINC000009264302 553228828 /nfs/dbraw/zinc/22/88/28/553228828.db2.gz OCEUFAHDPQBDNG-JRPXNJEYSA-N 0 0 505.574 6.894 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009271048 553230383 /nfs/dbraw/zinc/23/03/83/553230383.db2.gz UGFLKIPJLLOYOF-DEOSSOPVSA-N 0 0 500.595 6.824 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009270758 553230554 /nfs/dbraw/zinc/23/05/54/553230554.db2.gz YXDUAQVINJQSLQ-MUUNZHRXSA-N 0 0 513.634 6.096 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009271605 553231001 /nfs/dbraw/zinc/23/10/01/553231001.db2.gz WXKSVKWPYOLADP-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009271431 553231046 /nfs/dbraw/zinc/23/10/46/553231046.db2.gz OAFLIYGXGYAEJQ-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009272238 553231442 /nfs/dbraw/zinc/23/14/42/553231442.db2.gz LCFGVDMOACGLMI-PMERELPUSA-N 0 0 518.613 6.310 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272019 553231543 /nfs/dbraw/zinc/23/15/43/553231543.db2.gz YGPPWDWWGHTLNP-NRFANRHFSA-N 0 0 511.372 5.526 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000009272957 553232036 /nfs/dbraw/zinc/23/20/36/553232036.db2.gz OYDYPSUHPREPEQ-RUZDIDTESA-N 0 0 501.539 5.112 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000009273043 553232042 /nfs/dbraw/zinc/23/20/42/553232042.db2.gz XWPZPWMCWLMSHF-NLGDKJDOSA-N 0 0 506.646 7.093 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000009292957 553235363 /nfs/dbraw/zinc/23/53/63/553235363.db2.gz IEMPKXQZUACFQY-URAOTHONSA-N 0 0 517.581 6.581 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009301999 553236149 /nfs/dbraw/zinc/23/61/49/553236149.db2.gz APMGVAISEQQVLA-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCCC(C)C ZINC000009308648 553237483 /nfs/dbraw/zinc/23/74/83/553237483.db2.gz NUYXWPSJTRIQOY-XHCCPWGMSA-N 0 0 523.626 5.058 50 30 KKEARN COC(=O)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 ZINC000009311173 553239301 /nfs/dbraw/zinc/23/93/01/553239301.db2.gz ACRZKWYFECYZIE-RUMWWMSVSA-N 0 0 501.542 7.257 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009311987 553239840 /nfs/dbraw/zinc/23/98/40/553239840.db2.gz VYKSZWKWPOMFBK-NSYGIPOTSA-N 0 0 518.407 5.594 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009313029 553241014 /nfs/dbraw/zinc/24/10/14/553241014.db2.gz AIPFDMSNWIOQEH-ONOMSOESSA-N 0 0 511.618 6.213 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009318990 553241345 /nfs/dbraw/zinc/24/13/45/553241345.db2.gz CWGLHFVUPUMWRC-KEEVHDRGSA-N 0 0 527.577 5.923 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320607 553241556 /nfs/dbraw/zinc/24/15/56/553241556.db2.gz QUWMGZQZBWJWNL-LFPIHBKWSA-N 0 0 516.550 5.550 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009328538 553242041 /nfs/dbraw/zinc/24/20/41/553242041.db2.gz XIULONGUYYJSNQ-SGANQWHYSA-N 0 0 514.578 6.104 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009328940 553242051 /nfs/dbraw/zinc/24/20/51/553242051.db2.gz JZNUDIFDXWEWKV-DEOSSOPVSA-N 0 0 502.567 6.179 50 30 KKEARN CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009334081 553243134 /nfs/dbraw/zinc/24/31/34/553243134.db2.gz QRSSBJCSCLKFRT-PMERELPUSA-N 0 0 514.069 6.792 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009349926 553244990 /nfs/dbraw/zinc/24/49/90/553244990.db2.gz WYTOLSQVLLPQPV-WHLCRQNOSA-N 0 0 526.589 5.147 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009356590 553246564 /nfs/dbraw/zinc/24/65/64/553246564.db2.gz GKIQEMGNPCDLAW-LMKMVOKYSA-N 0 0 512.587 5.725 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009356800 553246687 /nfs/dbraw/zinc/24/66/87/553246687.db2.gz DVVKRWWMIPPKHP-NYFMKLKXSA-N 0 0 513.641 6.967 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009358010 553247217 /nfs/dbraw/zinc/24/72/17/553247217.db2.gz ZLMADZVKLURLTD-MYYSRTQBSA-N 0 0 500.551 5.850 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009358228 553247480 /nfs/dbraw/zinc/24/74/80/553247480.db2.gz IKYOLTCLRRDVCK-DJUQAAIZSA-N 0 0 518.569 6.281 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009358968 553247670 /nfs/dbraw/zinc/24/76/70/553247670.db2.gz PCZGTWUTYXNQRJ-CCLHPLFOSA-N 0 0 515.610 5.054 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358897 553247765 /nfs/dbraw/zinc/24/77/65/553247765.db2.gz HXNHKWPZMVCTRT-IZHWHUGBSA-N 0 0 500.551 5.850 50 30 KKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009370662 553250171 /nfs/dbraw/zinc/25/01/71/553250171.db2.gz QQISIUOJKGJHGM-NOTUDOMSSA-N 0 0 504.380 6.030 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000009379995 553251561 /nfs/dbraw/zinc/25/15/61/553251561.db2.gz GAUYAKUYMONNGV-NDEPHWFRSA-N 0 0 515.606 5.588 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000009380739 553251913 /nfs/dbraw/zinc/25/19/13/553251913.db2.gz VMMHRLAQOLUHGZ-JPQMRUPTSA-N 0 0 524.661 6.922 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009412446 553257635 /nfs/dbraw/zinc/25/76/35/553257635.db2.gz GBNOKNXWHVKBOG-MYYSRTQBSA-N 0 0 517.006 6.364 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009424110 553258531 /nfs/dbraw/zinc/25/85/31/553258531.db2.gz WYPQMFIZGKUXSP-OLILMLBXSA-N 0 0 527.617 5.628 50 30 KKEARN CC(C)(C)c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(C(C)(C)C)c1O ZINC000009424720 553258846 /nfs/dbraw/zinc/25/88/46/553258846.db2.gz XNDBWXFDQLTAQL-WRGVRERRSA-N 0 0 512.669 8.106 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009424839 553258925 /nfs/dbraw/zinc/25/89/25/553258925.db2.gz NWONUBQOFSFUPT-MUUNZHRXSA-N 0 0 529.589 5.424 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009424910 553259019 /nfs/dbraw/zinc/25/90/19/553259019.db2.gz KLVPRRVXCAGRGY-MMTVBGGISA-N 0 0 512.606 5.753 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009424909 553259061 /nfs/dbraw/zinc/25/90/61/553259061.db2.gz KLVPRRVXCAGRGY-WTYVLRPYSA-N 0 0 512.606 5.753 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009425014 553259068 /nfs/dbraw/zinc/25/90/68/553259068.db2.gz UMNGOQDPDCPEEE-KCWXNJEJSA-N 0 0 511.618 6.010 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000009425047 553259132 /nfs/dbraw/zinc/25/91/32/553259132.db2.gz CGPXLVJCYHJAKU-NDEPHWFRSA-N 0 0 523.541 5.408 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009425168 553259331 /nfs/dbraw/zinc/25/93/31/553259331.db2.gz FYNICPPOUHRZRE-SANMLTNESA-N 0 0 519.550 5.017 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C/c2cn(Cc3ccccc3F)c3ccccc23)sc2c1CCCC2 ZINC000009434506 553263986 /nfs/dbraw/zinc/26/39/86/553263986.db2.gz PNRLLEOKRRLQSO-XZYGTATASA-N 0 0 521.661 7.450 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009453955 553266165 /nfs/dbraw/zinc/26/61/65/553266165.db2.gz RZFFOAIMZSGWDT-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000009460997 553267183 /nfs/dbraw/zinc/26/71/83/553267183.db2.gz WXQLUGAQIWHWLR-NDEPHWFRSA-N 0 0 514.622 5.255 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000009460976 553267211 /nfs/dbraw/zinc/26/72/11/553267211.db2.gz GJAAQQFXWKRPLX-GDLZYMKVSA-N 0 0 522.601 6.012 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009461219 553267315 /nfs/dbraw/zinc/26/73/15/553267315.db2.gz FIBHYGYQBXVJSQ-XMMPIXPASA-N 0 0 519.022 6.694 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000009461269 553267586 /nfs/dbraw/zinc/26/75/86/553267586.db2.gz VFUYGDBBNSBMRQ-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009461473 553267741 /nfs/dbraw/zinc/26/77/41/553267741.db2.gz CTWDGIASYWCGEC-MHZLTWQESA-N 0 0 501.579 5.197 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000009461871 553267912 /nfs/dbraw/zinc/26/79/12/553267912.db2.gz VTNJTDHOBBOOJU-VKRJAPGXSA-N 0 0 504.612 5.219 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009462454 553268354 /nfs/dbraw/zinc/26/83/54/553268354.db2.gz JSXQOUCFUADFID-SANMLTNESA-N 0 0 516.550 5.097 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009463319 553268950 /nfs/dbraw/zinc/26/89/50/553268950.db2.gz ZDTZXGYODCQBFN-NDEPHWFRSA-N 0 0 513.590 5.364 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009470877 553269747 /nfs/dbraw/zinc/26/97/47/553269747.db2.gz UVJMEZNUZULDEJ-PUAOIOHZSA-N 0 0 508.401 6.138 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009471421 553269969 /nfs/dbraw/zinc/26/99/69/553269969.db2.gz YUZWOKWNMPRATA-HMILPKGGSA-N 0 0 528.605 5.371 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009471424 553270010 /nfs/dbraw/zinc/27/00/10/553270010.db2.gz YUZWOKWNMPRATA-GDJIYFAZSA-N 0 0 528.605 5.371 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1C ZINC000009477415 553272505 /nfs/dbraw/zinc/27/25/05/553272505.db2.gz SMNCKCJOJDFMFB-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000009483081 553272687 /nfs/dbraw/zinc/27/26/87/553272687.db2.gz QYGMUHUSECCEFF-LJAQVGFWSA-N 0 0 500.042 6.273 50 30 KKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000009488052 553273067 /nfs/dbraw/zinc/27/30/67/553273067.db2.gz ZJVSAODXPJYDIV-HSZRJFAPSA-N 0 0 500.963 6.371 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009507894 553275929 /nfs/dbraw/zinc/27/59/29/553275929.db2.gz OCJMFOAMANKKMY-NDEPHWFRSA-N 0 0 509.558 5.954 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009507518 553275981 /nfs/dbraw/zinc/27/59/81/553275981.db2.gz JSXQOUCFUADFID-AREMUKBSSA-N 0 0 516.550 5.097 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc(Br)c(Br)o1 ZINC000009554163 553278956 /nfs/dbraw/zinc/27/89/56/553278956.db2.gz LGTWTMICGCRSSH-NRFANRHFSA-N 0 0 501.218 7.158 50 30 KKEARN CCCCN(CCCC)C(=O)CSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 ZINC000009579998 553282057 /nfs/dbraw/zinc/28/20/57/553282057.db2.gz BUYWKMPXLDOJSZ-UHFFFAOYSA-N 0 0 520.703 5.717 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000009584107 553282347 /nfs/dbraw/zinc/28/23/47/553282347.db2.gz MKVLVPIKJKBWQG-BZNCWZHBSA-N 0 0 507.550 5.374 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009583914 553282375 /nfs/dbraw/zinc/28/23/75/553282375.db2.gz CFWDHYGLZCCWQG-FFUKGRFASA-N 0 0 523.593 5.241 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000009591049 553283178 /nfs/dbraw/zinc/28/31/78/553283178.db2.gz OAMJOPRPONIXKH-AWEZNQCLSA-N 0 0 523.709 5.327 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2)cc1 ZINC000009598251 553284139 /nfs/dbraw/zinc/28/41/39/553284139.db2.gz NIZXVDULRSLZRA-CHJDUVSTSA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccsc2)cc1OC ZINC000009598302 553284328 /nfs/dbraw/zinc/28/43/28/553284328.db2.gz ITWIHCVXYVAJDI-LYZGTLIUSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2F)cc1OC ZINC000009598280 553284330 /nfs/dbraw/zinc/28/43/30/553284330.db2.gz IDNHKNAFDYRKSA-JRPXNJEYSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)s2)cc1OC ZINC000009598270 553284343 /nfs/dbraw/zinc/28/43/43/553284343.db2.gz FHNBGSASLXENGH-JRPXNJEYSA-N 0 0 528.674 6.382 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)o2)cc1 ZINC000009598338 553284524 /nfs/dbraw/zinc/28/45/24/553284524.db2.gz OXEVCTJTKMBJSG-WENCNXQZSA-N 0 0 528.605 5.614 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000009600811 553286241 /nfs/dbraw/zinc/28/62/41/553286241.db2.gz XFHJHCYKLAVHCL-LYZGTLIUSA-N 0 0 524.057 6.451 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000009608778 553287709 /nfs/dbraw/zinc/28/77/09/553287709.db2.gz OURFVIPGLFXGRB-QFIPXVFZSA-N 0 0 517.651 5.588 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009608852 553287754 /nfs/dbraw/zinc/28/77/54/553287754.db2.gz OWWPQBFKBXNUOQ-XMMPIXPASA-N 0 0 531.678 5.897 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c(OC)c1 ZINC000009635690 553291881 /nfs/dbraw/zinc/29/18/81/553291881.db2.gz COFUFJKWUOVIPN-ZXVVBBHZSA-N 0 0 517.672 6.283 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cc(C)ccc3C(C)C)c(OC)c2)SC1=S ZINC000009660230 553293263 /nfs/dbraw/zinc/29/32/63/553293263.db2.gz NJZOSHNZNIJDSH-HAHDFKILSA-N 0 0 518.100 6.625 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000009720864 553300919 /nfs/dbraw/zinc/30/09/19/553300919.db2.gz ODZFJLKSIYTBHF-UHFFFAOYSA-N 0 0 520.647 6.163 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009720994 553300927 /nfs/dbraw/zinc/30/09/27/553300927.db2.gz XBGAEYDVQOIAHE-NLGDKJDOSA-N 0 0 500.598 6.910 50 30 KKEARN CC[C@H](C)Oc1ccc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000009721090 553301168 /nfs/dbraw/zinc/30/11/68/553301168.db2.gz KCZNMSPPSVPATF-XPPZXEJOSA-N 0 0 500.064 5.978 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(CC=C)C2=O)cc1OC ZINC000009724300 553301243 /nfs/dbraw/zinc/30/12/43/553301243.db2.gz BZABTSZUUVGWPM-JWGURIENSA-N 0 0 502.057 5.922 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OCC)c(OC)c1 ZINC000009762107 553303035 /nfs/dbraw/zinc/30/30/35/553303035.db2.gz SIMAEBWODZCRQE-PXLXIMEGSA-N 0 0 520.072 5.765 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1 ZINC000009775621 553304238 /nfs/dbraw/zinc/30/42/38/553304238.db2.gz GPQRVJGCDPXTOF-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000009775635 553304442 /nfs/dbraw/zinc/30/44/42/553304442.db2.gz PBFOPQRWSZHKHC-UHFFFAOYSA-N 0 0 522.458 7.478 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775644 553304446 /nfs/dbraw/zinc/30/44/46/553304446.db2.gz PRRLXXIBJDLMDR-UHFFFAOYSA-N 0 0 501.598 6.503 50 30 KKEARN Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1C ZINC000009775653 553304449 /nfs/dbraw/zinc/30/44/49/553304449.db2.gz AIQJNQIQGMNGCC-UHFFFAOYSA-N 0 0 532.522 7.956 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775646 553304457 /nfs/dbraw/zinc/30/44/57/553304457.db2.gz DYLRIJTYQBPLRC-UHFFFAOYSA-N 0 0 501.598 6.503 50 30 KKEARN CCOc1ccc(CCN2C(=O)/C(=C\C(=O)OC)S/C2=N\c2ccc(F)c(Cl)c2)cc1OCC ZINC000009846289 553311574 /nfs/dbraw/zinc/31/15/74/553311574.db2.gz KKMSETDRMZAYSS-ZDGMEELJSA-N 0 0 506.983 5.139 50 30 KKEARN CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000009846423 553311824 /nfs/dbraw/zinc/31/18/24/553311824.db2.gz LRTMYLRYZRXDPZ-FKOPLSKESA-N 0 0 521.561 5.643 50 30 KKEARN CCCCCCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000009849818 553312445 /nfs/dbraw/zinc/31/24/45/553312445.db2.gz CGDXRXBDSHGPEJ-XDNZSQCXSA-N 0 0 501.652 6.811 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000009861118 553313919 /nfs/dbraw/zinc/31/39/19/553313919.db2.gz OPCNTCMRCWQIHS-FQEVSTJZSA-N 0 0 517.221 5.213 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009861103 553313976 /nfs/dbraw/zinc/31/39/76/553313976.db2.gz CEKNSTJDYAZFON-HSZRJFAPSA-N 0 0 526.431 5.104 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cc3ccc(C)cc3)o1)C[C@@](C#N)(c1ccccc1)CC2 ZINC000009860891 553313979 /nfs/dbraw/zinc/31/39/79/553313979.db2.gz PMXCZZKQXLORJL-HKBQPEDESA-N 0 0 524.642 6.620 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1O ZINC000009892040 553314555 /nfs/dbraw/zinc/31/45/55/553314555.db2.gz NWVCFGQAJPONKO-BRJLIKDPSA-N 0 0 515.205 6.610 50 30 KKEARN Cc1ccc(/N=C2\NC(=O)/C(=C\c3cn(Cc4ccc(Br)cc4)c4ccccc34)S2)cc1C ZINC000009907453 553316030 /nfs/dbraw/zinc/31/60/30/553316030.db2.gz WHGDYKMJBGRWCL-AFUMVMLFSA-N 0 0 516.464 6.961 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009934361 553317825 /nfs/dbraw/zinc/31/78/25/553317825.db2.gz SZHPCYPHLAWEPB-ROTAYESASA-N 0 0 512.606 6.023 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn32)cc1OC ZINC000009942476 553319717 /nfs/dbraw/zinc/31/97/17/553319717.db2.gz HCYCAVZBYKIMII-MUUNZHRXSA-N 0 0 524.646 6.277 50 30 KKEARN Clc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(Cl)c4Cl)cc3)cc2)c1Cl ZINC000009949401 553320283 /nfs/dbraw/zinc/32/02/83/553320283.db2.gz YZQBWEGYFVEOGY-IHXWQEJPSA-N 0 0 514.239 9.594 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009984017 553323640 /nfs/dbraw/zinc/32/36/40/553323640.db2.gz DJEOUOJQARWCCR-KBMIEXCESA-N 0 0 501.677 6.174 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993094 553323756 /nfs/dbraw/zinc/32/37/56/553323756.db2.gz XYQFTJCZSJAOCV-PGUFJCEWSA-N 0 0 519.091 6.990 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994467 553324849 /nfs/dbraw/zinc/32/48/49/553324849.db2.gz ZZJWAEKOFPZIFP-MUUNZHRXSA-N 0 0 532.681 5.158 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000010013649 553326191 /nfs/dbraw/zinc/32/61/91/553326191.db2.gz DNKALQVHMGXKPP-GDJIYFAZSA-N 0 0 516.544 5.679 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000010013632 553326203 /nfs/dbraw/zinc/32/62/03/553326203.db2.gz ACQJMEUNXXSJCC-PIIWDFAUSA-N 0 0 512.581 5.843 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000010013631 553326217 /nfs/dbraw/zinc/32/62/17/553326217.db2.gz ACQJMEUNXXSJCC-NGOKVRLYSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000010013751 553326243 /nfs/dbraw/zinc/32/62/43/553326243.db2.gz AOXLUSUQLLXMKG-VKGTZQKMSA-N 0 0 514.528 5.694 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000011852150 553344117 /nfs/dbraw/zinc/34/41/17/553344117.db2.gz VEBPDUKKQYWMMN-UHFFFAOYSA-N 0 0 531.659 6.217 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)c(C(=O)C(F)(F)F)s2)cc1 ZINC000011852361 553344766 /nfs/dbraw/zinc/34/47/66/553344766.db2.gz MQOSVGNUAWSMPA-UHFFFAOYSA-N 0 0 541.598 5.232 50 30 KKEARN CCOC(=O)[C@@H](Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O)c1ccccc1 ZINC000011869847 553348229 /nfs/dbraw/zinc/34/82/29/553348229.db2.gz GUDSETWNCIVGQT-PNZYDNNZSA-N 0 0 509.352 5.757 50 30 KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)c(OC)c(OC)c3)C4=O)c2c1 ZINC000011869106 553348234 /nfs/dbraw/zinc/34/82/34/553348234.db2.gz IDLCKXNMEWODFW-MYKKPKGFSA-N 0 0 530.529 6.001 50 30 biogenic KKEARN CCN(Cc1ccccc1)c1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000012112561 553351436 /nfs/dbraw/zinc/35/14/36/553351436.db2.gz AMHMFDBBGUDGHQ-UJEJHLKSSA-N 0 0 524.662 6.192 50 30 KKEARN CCOc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 ZINC000012112423 553351443 /nfs/dbraw/zinc/35/14/43/553351443.db2.gz LPKAGQUMWVRHFA-BWAHOGKJSA-N 0 0 509.989 7.882 50 30 KKEARN C=CCN(CC=C)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2nc(-c4ccccc4)cs2)C3=O)C1 ZINC000012148947 553352485 /nfs/dbraw/zinc/35/24/85/553352485.db2.gz SEJFPNUTJBBBTA-JOCHJYFZSA-N 0 0 526.662 5.023 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000012285087 553356270 /nfs/dbraw/zinc/35/62/70/553356270.db2.gz ZHNYLSZQPINXHU-JHOBJCJYSA-N 0 0 522.601 5.792 50 30 KKEARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3ccc(Cl)cc3)c(C#N)c(-c3ccc(Cl)cc3)c12 ZINC000012340652 553358715 /nfs/dbraw/zinc/35/87/15/553358715.db2.gz UGRMJNSAKPBQPQ-UHFFFAOYSA-N 0 0 513.384 6.836 50 30 KKEARN Clc1ccc(SCCOc2ccccc2CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 ZINC000012345731 553358856 /nfs/dbraw/zinc/35/88/56/553358856.db2.gz VMVHKGMZBSINIS-TURZUDJPSA-N 0 0 524.094 5.343 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349644 553358871 /nfs/dbraw/zinc/35/88/71/553358871.db2.gz XNYXCXQGJBHJIX-UVDDSOTQSA-N 0 0 523.654 7.303 50 30 KKEARN C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)C=CNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000012351831 553359163 /nfs/dbraw/zinc/35/91/63/553359163.db2.gz XSADTUWIOPIQIY-GWPXUMSLSA-N 0 0 603.737 9.838 50 30 KKEARN N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1 ZINC000012369857 553360151 /nfs/dbraw/zinc/36/01/51/553360151.db2.gz MXPKYHWEEKEPGZ-UHFFFAOYSA-N 0 0 502.905 6.022 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(Br)s1 ZINC000012384447 553362446 /nfs/dbraw/zinc/36/24/46/553362446.db2.gz RJDLKVAAZDRSIV-XMMPIXPASA-N 0 0 507.453 6.967 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCCC3)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000012402388 553362799 /nfs/dbraw/zinc/36/27/99/553362799.db2.gz RNHSFQCDJFRCPQ-HXUWFJFHSA-N 0 0 503.624 6.351 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(CCC1CCCCC1)=NC2(C(F)(F)F)C(F)(F)F ZINC000012402217 553362809 /nfs/dbraw/zinc/36/28/09/553362809.db2.gz KDFNHKKYLNPUIG-UHFFFAOYSA-N 0 0 504.515 7.361 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411736 553363541 /nfs/dbraw/zinc/36/35/41/553363541.db2.gz DTXWFMNSSCGRDQ-LGGPFLRQSA-N 0 0 529.681 6.734 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000012413054 553364289 /nfs/dbraw/zinc/36/42/89/553364289.db2.gz PBBRGZRGOTWYMG-WOVHNISZSA-N 0 0 516.575 5.367 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000012413029 553364300 /nfs/dbraw/zinc/36/43/00/553364300.db2.gz IQNWHCQMGNISTN-XXAUWVGASA-N 0 0 519.594 5.606 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000012416288 553364867 /nfs/dbraw/zinc/36/48/67/553364867.db2.gz MCZIIRXCDILBES-WGDIFIGCSA-N 0 0 521.038 6.116 50 30 KKEARN CCCC/N=C(/c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000012419338 553365705 /nfs/dbraw/zinc/36/57/05/553365705.db2.gz KQPPWSWMPDYLHA-RMLRFSFXSA-N 0 0 516.623 6.549 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(I)c2)cc1 ZINC000012447693 553366816 /nfs/dbraw/zinc/36/68/16/553366816.db2.gz FDJSVMASZXIKMK-BCHFMIIMSA-N 0 0 506.387 6.579 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(I)c2)cc1 ZINC000012447696 553366876 /nfs/dbraw/zinc/36/68/76/553366876.db2.gz FDJSVMASZXIKMK-AFMDSPMNSA-N 0 0 506.387 6.579 50 30 KKEARN Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000012524242 553383350 /nfs/dbraw/zinc/38/33/50/553383350.db2.gz WGWQUYHFVVURLO-ULJHMMPZSA-N 0 0 513.460 7.890 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3c4c(C)nn(-c5ccccc5)c4NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000012563103 553395365 /nfs/dbraw/zinc/39/53/65/553395365.db2.gz INMIYAWHDMVODG-SSEXGKCCSA-N 0 0 500.646 7.509 50 30 KKEARN COC(=O)c1ccc(COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)c3ccc(Cl)cc3)cc2OC)cc1 ZINC000012564611 553396186 /nfs/dbraw/zinc/39/61/86/553396186.db2.gz HFTGWPCGYNRKNG-RUZDIDTESA-N 0 0 520.969 5.225 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NC3c4ccccc4-c4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000012572906 553398418 /nfs/dbraw/zinc/39/84/18/553398418.db2.gz NBONWGIZXUBWED-UHFFFAOYSA-N 0 0 500.536 5.249 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)COc2ccccc2C#N)cc1 ZINC000012622725 553404008 /nfs/dbraw/zinc/40/40/08/553404008.db2.gz ZFZXJKWYDAMDDL-NDEPHWFRSA-N 0 0 519.557 5.020 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=S)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000012651167 553409534 /nfs/dbraw/zinc/40/95/34/553409534.db2.gz DZUSGXAMYMHIEV-ATVHPVEESA-N 0 0 508.528 7.620 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000012656545 553410597 /nfs/dbraw/zinc/41/05/97/553410597.db2.gz KKIWDXVBFWZVNM-KUEVPICXSA-N 0 0 517.960 6.519 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(NN=C3c4cc(C(C)C)ccc4NC3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000012659402 553411373 /nfs/dbraw/zinc/41/13/73/553411373.db2.gz WISDFGRFNYHVHW-UHFFFAOYSA-N 0 0 507.572 5.554 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)=C1Nc2ccccc2N1 ZINC000012693158 553413196 /nfs/dbraw/zinc/41/31/96/553413196.db2.gz LYZIEMVSRLVIGR-UHFFFAOYSA-N 0 0 505.046 5.067 50 30 KKEARN CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC ZINC000012834343 553421571 /nfs/dbraw/zinc/42/15/71/553421571.db2.gz YHIXRNNWDBPKPW-JOCHJYFZSA-O 0 0 510.629 5.002 50 30 in-vitro KKEARN CCOC(=O)c1sc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCCO5)cc(C(F)(F)F)c3c2N)c(C#N)c1C ZINC000012860128 553422744 /nfs/dbraw/zinc/42/27/44/553422744.db2.gz VOBYIIGIJZXSIT-UHFFFAOYSA-N 0 0 588.589 6.006 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5oncc5C[C@]43C)[C@@H]2C1 ZINC000012859181 553422794 /nfs/dbraw/zinc/42/27/94/553422794.db2.gz YKCYCQSFKWWXPA-MMPCNZCPSA-N 0 0 507.715 6.842 50 30 biogenic KKEARN COc1ccc(Oc2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccc(Cl)cc3Cl)c2C#N)cc1 ZINC000012952242 553428948 /nfs/dbraw/zinc/42/89/48/553428948.db2.gz MTDRVCVCLRVCKG-UHFFFAOYSA-N 0 0 515.318 8.414 50 30 KKEARN Cc1c(/C(=N/OC(=O)c2ccc(C)cc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012954444 553429138 /nfs/dbraw/zinc/42/91/38/553429138.db2.gz SLPKGMIVGQYKSH-MKFPQRGTSA-N 0 0 558.553 6.427 50 30 KKEARN O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Nc1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000012956203 553429750 /nfs/dbraw/zinc/42/97/50/553429750.db2.gz CJCLKQUHBGKHHM-UHFFFAOYSA-N 0 0 532.803 5.793 50 30 KKEARN O=C(O/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012957614 553429900 /nfs/dbraw/zinc/42/99/00/553429900.db2.gz RDKHIBPQGAAXJM-HZFGCTIOSA-N 0 0 523.641 7.774 50 30 KKEARN O=[N+]([O-])c1cc(/C(=N\OCc2ccc(Cl)cc2Cl)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)ccc1Cl ZINC000012958739 553430348 /nfs/dbraw/zinc/43/03/48/553430348.db2.gz YBAGEQMJQZKMAS-OEZQIQTCSA-N 0 0 519.768 7.008 50 30 KKEARN O=S(=O)(c1ccccc1)[C@H](/C=N/OCc1c(Cl)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000012960387 553430656 /nfs/dbraw/zinc/43/06/56/553430656.db2.gz UDEWHMAKQVKSNL-YOPNKQAESA-N 0 0 537.774 6.778 50 30 KKEARN O=C1C(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000012960812 553430742 /nfs/dbraw/zinc/43/07/42/553430742.db2.gz NNUNNNRAVMGMOE-NDZAJKAJSA-N 0 0 533.164 7.682 50 30 KKEARN O=C1c2ccccc2[C@@H](/C=N\OCc2ccc(Cl)cc2Cl)C(=O)N1OCc1ccc(Cl)cc1Cl ZINC000012960997 553431089 /nfs/dbraw/zinc/43/10/89/553431089.db2.gz LSPGUBYGJYQTPN-KRRGCWCMSA-N 0 0 538.214 6.701 50 30 KKEARN O=C(NC=NOCc1ccc(Cl)cc1Cl)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961400 553431109 /nfs/dbraw/zinc/43/11/09/553431109.db2.gz ZVWISFJUNCMPAR-OAQYLSRUSA-N 0 0 567.782 7.017 50 30 KKEARN FC(F)(F)c1cnc(CO/N=C\c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)c(Cl)c1 ZINC000012961255 553431113 /nfs/dbraw/zinc/43/11/13/553431113.db2.gz LASTYDPQDCWZGR-RDZFPOTDSA-N 0 0 533.259 7.316 50 30 KKEARN N#CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013003307 553432052 /nfs/dbraw/zinc/43/20/52/553432052.db2.gz UEDGPCYBIRXVNU-QFIPXVFZSA-N 0 0 515.875 5.748 50 30 KKEARN CCOc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000013095215 553445764 /nfs/dbraw/zinc/44/57/64/553445764.db2.gz BYGYJIRJJIYJHF-MXECYCPESA-N 0 0 518.541 5.137 50 30 KKEARN CCOc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1 ZINC000013095216 553445776 /nfs/dbraw/zinc/44/57/76/553445776.db2.gz BYGYJIRJJIYJHF-OAZIQKMDSA-N 0 0 518.541 5.137 50 30 KKEARN CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCCC1 ZINC000013464015 553459489 /nfs/dbraw/zinc/45/94/89/553459489.db2.gz RUFRNILTSVTBSX-QOMWVZHYSA-N 0 0 514.620 5.513 50 30 KKEARN Cc1cc(C)nc(N=C(Nc2ccc(Oc3ccccc3)cc2)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000013552728 553470874 /nfs/dbraw/zinc/47/08/74/553470874.db2.gz BRQKTYNXLPGOHG-UHFFFAOYSA-N 0 0 508.003 5.808 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570958 553473884 /nfs/dbraw/zinc/47/38/84/553473884.db2.gz MSTMRYHENJCBKP-QHCPKHFHSA-N 0 0 515.547 5.558 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000013570980 553473930 /nfs/dbraw/zinc/47/39/30/553473930.db2.gz PMBPFJYBORXTER-GDLZYMKVSA-N 0 0 529.633 5.978 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000013571180 553473931 /nfs/dbraw/zinc/47/39/31/553473931.db2.gz TZKSZYFKPIVQJL-SANMLTNESA-N 0 0 512.631 6.828 50 30 KKEARN Cc1cccc(-c2cc(-c3cccc4ccccc43)nc(Sc3ccc([N+](=O)[O-])cc3C=O)c2C#N)c1 ZINC000013574275 553474658 /nfs/dbraw/zinc/47/46/58/553474658.db2.gz KWJAUOAMADPOIF-UHFFFAOYSA-N 0 0 501.567 7.621 50 30 KKEARN N#Cc1cc2c(nc1Sc1cc([N+](=O)[O-])ccc1C(=O)Oc1ccc(-c3ccccc3)cc1)CCCCC2 ZINC000013574905 553474702 /nfs/dbraw/zinc/47/47/02/553474702.db2.gz VGEBGQQZYROHJQ-UHFFFAOYSA-N 0 0 521.598 7.168 50 30 KKEARN CCOc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCCCO5)cc1OCC ZINC000013591404 553477062 /nfs/dbraw/zinc/47/70/62/553477062.db2.gz NUDAHHJWBXUUBI-QHCPKHFHSA-N 0 0 515.650 6.285 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000013659897 553480712 /nfs/dbraw/zinc/48/07/12/553480712.db2.gz IGPRLKJQYXRSTM-JVEWKGNHSA-N 0 0 505.571 5.163 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000013661597 553480920 /nfs/dbraw/zinc/48/09/20/553480920.db2.gz GDMJRGZXZSMIDF-FJOMVMCCSA-N 0 0 507.587 5.394 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2CCc2ccccc2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000013764125 553488808 /nfs/dbraw/zinc/48/88/08/553488808.db2.gz KMQWACFVESSKRL-PPFNPFNJSA-N 0 0 518.661 6.366 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000013897823 553495058 /nfs/dbraw/zinc/49/50/58/553495058.db2.gz XMHBJFTWURTWAG-CCVNUDIWSA-N 0 0 512.418 7.181 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000013914354 553495447 /nfs/dbraw/zinc/49/54/47/553495447.db2.gz ZRELIVGMLSNTFN-CLVAPQHMSA-N 0 0 519.465 7.805 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cc(C)cc(C)c3)c(OCC)c2)SC1=S ZINC000013939874 553495999 /nfs/dbraw/zinc/49/59/99/553495999.db2.gz IVDGIFFSCOEWOQ-XQNSMLJCSA-N 0 0 518.100 6.591 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)SC1=S ZINC000013942871 553496907 /nfs/dbraw/zinc/49/69/07/553496907.db2.gz QJNFMPAQDUKXLZ-UNOMPAQXSA-N 0 0 508.434 5.953 50 30 KKEARN C=CCc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)c(OC)c1 ZINC000013961606 553498906 /nfs/dbraw/zinc/49/89/06/553498906.db2.gz CZKCBCBSBUYEID-UHFFFAOYSA-N 0 0 500.517 5.577 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000014134112 553502148 /nfs/dbraw/zinc/50/21/48/553502148.db2.gz JKPGJADLVBQNSN-CQSZACIVSA-N 0 0 519.852 5.346 50 30 KKEARN CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccc(C#N)cc2)c1 ZINC000014359065 553513359 /nfs/dbraw/zinc/51/33/59/553513359.db2.gz SWAHLOQROSUAAA-UHFFFAOYSA-N 0 0 513.026 6.078 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000014923054 553521546 /nfs/dbraw/zinc/52/15/46/553521546.db2.gz KXYGHNMBVPYNLS-GPZXWDIKSA-N 0 0 512.609 6.347 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000014944035 553521692 /nfs/dbraw/zinc/52/16/92/553521692.db2.gz IQNWHCQMGNISTN-VHSZZVNMSA-N 0 0 519.594 5.606 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000014944123 553521698 /nfs/dbraw/zinc/52/16/98/553521698.db2.gz PBBRGZRGOTWYMG-SWYRRKHMSA-N 0 0 516.575 5.367 50 30 KKEARN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000015013197 553525552 /nfs/dbraw/zinc/52/55/52/553525552.db2.gz MCAHCBKTHQQMQV-LPYMAVHISA-N 0 0 518.367 5.396 50 30 KKEARN O=C1NC(=Nc2cccc(C(F)(F)F)c2)SC1=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000015016383 553526361 /nfs/dbraw/zinc/52/63/61/553526361.db2.gz QRPGMSGBVKTPQD-MRCUWXFGSA-N 0 0 513.928 7.008 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2sc(C)c(C)c2c1=O ZINC000015230521 553529864 /nfs/dbraw/zinc/52/98/64/553529864.db2.gz MFSVWWASDYXMSJ-UHFFFAOYSA-N 0 0 505.621 5.900 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)c1OC ZINC000015945600 553544081 /nfs/dbraw/zinc/54/40/81/553544081.db2.gz NKIMSHWJXWNMKX-AASYHSMQSA-N 0 0 511.087 7.573 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(Br)c1 ZINC000015946587 553544626 /nfs/dbraw/zinc/54/46/26/553544626.db2.gz ZNOJYKSCLUIBHD-YJOHERITSA-N 0 0 504.475 6.232 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc(F)c3)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000015946502 553544653 /nfs/dbraw/zinc/54/46/53/553544653.db2.gz GQJXOSMTVVHMPZ-HWFREFBRSA-N 0 0 502.577 8.060 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(F)c3)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000015946501 553544735 /nfs/dbraw/zinc/54/47/35/553544735.db2.gz GQJXOSMTVVHMPZ-ZFQVWYPFSA-N 0 0 502.577 8.060 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1Br ZINC000016037971 553552574 /nfs/dbraw/zinc/55/25/74/553552574.db2.gz PQSFKKNPAJDAOW-GSDHBNRESA-N 0 0 510.391 5.742 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC(C)C)=C(C)NC4=C3C(=O)C[C@@H](c3ccc(F)cc3)C4)c(=O)c2c1 ZINC000016293780 553559445 /nfs/dbraw/zinc/55/94/45/553559445.db2.gz KSMVMIVVQJUXRH-PPHZAIPVSA-N 0 0 501.554 5.554 50 30 KKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1 ZINC000016478234 553565793 /nfs/dbraw/zinc/56/57/93/553565793.db2.gz XNQHANOJPICOGL-CAQRMWTPSA-N 0 0 510.593 7.647 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000016506342 553566745 /nfs/dbraw/zinc/56/67/45/553566745.db2.gz YPEREGNAWUIEQN-SSEXGKCCSA-N 0 0 510.634 6.357 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000016508398 553566993 /nfs/dbraw/zinc/56/69/93/553566993.db2.gz WJYXGEDORMIPOU-WJOKGBTCSA-N 0 0 530.734 6.682 50 30 KKEARN N#Cc1c(N[C@@H](NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000016699611 553574111 /nfs/dbraw/zinc/57/41/11/553574111.db2.gz NREIMMKTKRQEDT-QGZVFWFLSA-N 0 0 507.668 5.799 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000016728853 553575337 /nfs/dbraw/zinc/57/53/37/553575337.db2.gz ITLRCRNBRLRANF-UHFFFAOYSA-N 0 0 511.396 8.417 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000016729648 553575875 /nfs/dbraw/zinc/57/58/75/553575875.db2.gz BZKYYGPUXVXCBS-HHHXNRCGSA-N 0 0 501.579 5.232 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000016730006 553576307 /nfs/dbraw/zinc/57/63/07/553576307.db2.gz JFCVCUSWCNPTDR-MHZLTWQESA-N 0 0 503.595 6.416 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016730902 553576855 /nfs/dbraw/zinc/57/68/55/553576855.db2.gz MPBRHXCIJGQCAI-SANMLTNESA-N 0 0 502.567 5.056 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016730905 553576962 /nfs/dbraw/zinc/57/69/62/553576962.db2.gz MPBRHXCIJGQCAI-AREMUKBSSA-N 0 0 502.567 5.056 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCc1ccc(F)cc1 ZINC000016733028 553577956 /nfs/dbraw/zinc/57/79/56/553577956.db2.gz AAYMZQMZCSWIAU-UHFFFAOYSA-N 0 0 512.503 7.789 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016733808 553578338 /nfs/dbraw/zinc/57/83/38/553578338.db2.gz USSCFEJSNJWHKK-FYYLOGMGSA-N 0 0 514.416 5.385 50 30 KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(C)cc3)oc21 ZINC000016742176 553580167 /nfs/dbraw/zinc/58/01/67/553580167.db2.gz GEIGJCKABBLXKG-NRFANRHFSA-N 0 0 502.548 5.500 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016750132 553580664 /nfs/dbraw/zinc/58/06/64/553580664.db2.gz RUCRDBMCIASIPX-MHZLTWQESA-N 0 0 514.578 5.200 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000016805203 553582688 /nfs/dbraw/zinc/58/26/88/553582688.db2.gz JRIKTHDLLGDTMB-MHZLTWQESA-N 0 0 510.521 5.800 50 30 KKEARN N#Cc1c(NC(=S)N[C@@H](NC(=O)/C=C\c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000016790900 553582708 /nfs/dbraw/zinc/58/27/08/553582708.db2.gz SAMARFHZEGYCIT-OEIFXAAASA-N 0 0 513.903 5.311 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016805777 553583074 /nfs/dbraw/zinc/58/30/74/553583074.db2.gz SBOVVNWALVCZKW-HHHXNRCGSA-N 0 0 526.658 7.265 50 30 KKEARN CC(=O)Nc1ccc(/C=C/C(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 ZINC000016957633 553585404 /nfs/dbraw/zinc/58/54/04/553585404.db2.gz PMOJGJXLABQDBL-OBGWFSINSA-N 0 0 504.615 6.826 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2/C(Br)=C/c1ccccc1 ZINC000017028549 553586952 /nfs/dbraw/zinc/58/69/52/553586952.db2.gz QSFPRZFGMMHING-MCZSENPKSA-N 0 0 519.361 6.455 50 30 KKEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000017043679 553587426 /nfs/dbraw/zinc/58/74/26/553587426.db2.gz QKMFRSZCNNGRGQ-UHFFFAOYSA-N 0 0 519.048 5.095 50 30 KKEARN CC(C)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113627 553588184 /nfs/dbraw/zinc/58/81/84/553588184.db2.gz RQEJXHCOOKBMRW-QFIPXVFZSA-N 0 0 502.596 6.071 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1OCC ZINC000017155012 553589338 /nfs/dbraw/zinc/58/93/38/553589338.db2.gz HJMMTZPJKMTGKB-XZXOCULKSA-N 0 0 515.429 5.110 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2-c2ccccc2C)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000017179876 553590077 /nfs/dbraw/zinc/59/00/77/553590077.db2.gz KXROXNPSHJIRFV-QNKGDIEWSA-N 0 0 504.634 6.421 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576234 553591172 /nfs/dbraw/zinc/59/11/72/553591172.db2.gz GJXLGRVQUNDZER-ONGXEEELSA-N 0 0 601.209 6.506 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020131778 553591687 /nfs/dbraw/zinc/59/16/87/553591687.db2.gz OZZYIJZWOACXEI-AREMUKBSSA-N 0 0 502.611 5.031 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)ON=c1oc2cc3c(cc2c2c1CCC2)CCC1(CCCCC1)O3 ZINC000070655955 553594326 /nfs/dbraw/zinc/59/43/26/553594326.db2.gz IIUDVBYJKWPCTO-INKHBPHZSA-N 0 0 512.528 7.033 50 30 KKEARN COc1ccc(NC(=O)ON=c2oc3cc4c(cc3c3c2CCCC3)CCC2(CCCCC2)O4)cc1OC ZINC000070655953 553594393 /nfs/dbraw/zinc/59/43/93/553594393.db2.gz QAIGBZNFOKCNPS-VEWQFJOQSA-N 0 0 518.610 6.421 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccc(F)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000020150036 553594975 /nfs/dbraw/zinc/59/49/75/553594975.db2.gz CGXWIFIURMFNLT-UHFFFAOYSA-N 0 0 524.043 6.373 50 30 KKEARN CCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070665026 553595451 /nfs/dbraw/zinc/59/54/51/553595451.db2.gz CWJKYZBNMBLVGW-RZZLNXNVSA-N 0 0 542.845 8.705 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Cl)cc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070669885 553599264 /nfs/dbraw/zinc/59/92/64/553599264.db2.gz PBFZNBCIOYZGPX-GTZQZZKMSA-N 0 0 591.276 9.733 50 30 biogenic KKEARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000070669936 553599507 /nfs/dbraw/zinc/59/95/07/553599507.db2.gz JPWWVSGLQAUOEU-VILPICKKSA-N 0 0 564.723 5.133 50 30 biogenic KKEARN COc1ccc(OCc2cc([C@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1 ZINC000017778361 553599517 /nfs/dbraw/zinc/59/95/17/553599517.db2.gz HSVMTXJBSGIULT-PMERELPUSA-N 0 0 539.632 5.593 50 30 KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070670083 553600252 /nfs/dbraw/zinc/60/02/52/553600252.db2.gz OMHBBCVPUBKOQK-CTYJUVBPSA-N 0 0 603.760 5.024 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c32)cc1OC ZINC000020160058 553600283 /nfs/dbraw/zinc/60/02/83/553600283.db2.gz CCQQQVYWTOHCIE-WZIHWWEMSA-N 0 0 523.549 5.074 50 30 KKEARN C=CCn1c(SCc2csc(-c3cccc(C(F)(F)F)c3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000020161327 553600613 /nfs/dbraw/zinc/60/06/13/553600613.db2.gz GHUFFHPOYKZKRK-UHFFFAOYSA-N 0 0 502.543 6.294 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000020169169 553601705 /nfs/dbraw/zinc/60/17/05/553601705.db2.gz ZSXSLHQJTCCXHM-HXOBKFHXSA-N 0 0 505.558 5.708 50 30 KKEARN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5cccc(I)c5)CC[C@]4(C)[C@@]34O[C@H]4C[C@]12C ZINC000070672670 553602706 /nfs/dbraw/zinc/60/27/06/553602706.db2.gz QKFXMJVIUCVFGH-FVAWUPAFSA-N 0 0 562.488 6.196 50 30 biogenic KKEARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(CC(=O)c5ccc(Cl)cc5)c(=O)[nH]c4c3)CC2)c1 ZINC000020177021 553602844 /nfs/dbraw/zinc/60/28/44/553602844.db2.gz ALKAAVWBWXWVLA-UQQQWYQISA-N 0 0 515.013 5.050 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000018066216 553602872 /nfs/dbraw/zinc/60/28/72/553602872.db2.gz DCQWCDCJHQZLPW-CHJDUVSTSA-N 0 0 524.617 5.718 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181740 553604287 /nfs/dbraw/zinc/60/42/87/553604287.db2.gz KSUPKFPOBBOXNL-HSZRJFAPSA-N 0 0 517.651 5.588 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccnc1 ZINC000018116284 553604710 /nfs/dbraw/zinc/60/47/10/553604710.db2.gz WCQNWLUMYBCBJD-JPQMRUPTSA-N 0 0 525.649 6.580 50 30 KKEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2cnc3ccccc3n2)nc1 ZINC000018128208 553605745 /nfs/dbraw/zinc/60/57/45/553605745.db2.gz ONYGMHGHIJVWRP-URAOTHONSA-N 0 0 501.590 5.334 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(F)c3)C2)cc1 ZINC000018137089 553605756 /nfs/dbraw/zinc/60/57/56/553605756.db2.gz CKZBFZYZUNEYFC-QYBDOPJKSA-N 0 0 510.487 6.297 50 30 KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000070686880 553605887 /nfs/dbraw/zinc/60/58/87/553605887.db2.gz LGPPIFVVBVMZED-KYHGBAKBSA-N 0 0 544.603 8.279 50 30 biogenic KKEARN CCc1c(C)sc(N(S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1C#N ZINC000020191291 553605886 /nfs/dbraw/zinc/60/58/86/553605886.db2.gz XVYAOWLSEZICFH-UHFFFAOYSA-N 0 0 515.465 5.382 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000018142670 553606031 /nfs/dbraw/zinc/60/60/31/553606031.db2.gz VCUOOHRVHYFQBV-LDLUVENISA-N 0 0 516.594 5.709 50 30 KKEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000018146143 553606273 /nfs/dbraw/zinc/60/62/73/553606273.db2.gz ZTGVCAHAERQPSI-RGVLZGJSSA-N 0 0 503.433 6.437 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000018173388 553607227 /nfs/dbraw/zinc/60/72/27/553607227.db2.gz SGSDCUMDGYSAFY-GLVFWTRYSA-N 0 0 506.627 7.391 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000018179573 553607589 /nfs/dbraw/zinc/60/75/89/553607589.db2.gz GPJHBWFOIFMUSH-IIMAJNMQSA-N 0 0 524.617 7.110 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(OCc4ccccc4)c3)C2)cc1OC ZINC000018198495 553609443 /nfs/dbraw/zinc/60/94/43/553609443.db2.gz XPZWMYITNWDAMM-ZTOMLWHTSA-N 0 0 508.578 5.290 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(-c4ccccc4)cc3)C2)cc(OC)c1OC ZINC000018198261 553609482 /nfs/dbraw/zinc/60/94/82/553609482.db2.gz KSUDIMTWUBJKFJ-PIKZIKFNSA-N 0 0 508.578 5.387 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000018200297 553609970 /nfs/dbraw/zinc/60/99/70/553609970.db2.gz QFHGQZMFDSGCSI-KSFYIVLOSA-N 0 0 507.468 5.615 50 30 KKEARN CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000018249482 553611352 /nfs/dbraw/zinc/61/13/52/553611352.db2.gz SMUHTHHGFHAPPF-HKBQPEDESA-N 0 0 502.699 7.979 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692381 553611393 /nfs/dbraw/zinc/61/13/93/553611393.db2.gz KGGMAUFOYSKGAF-FXTKOAQQSA-N 0 0 534.825 9.695 50 30 biogenic KKEARN CC(C)(O)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC=C2C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070692400 553611659 /nfs/dbraw/zinc/61/16/59/553611659.db2.gz SGRMGMQDZAYBRV-LGUSKOJXSA-N 0 0 542.757 6.256 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070697512 553612967 /nfs/dbraw/zinc/61/29/67/553612967.db2.gz OUYPDQHVBQNYBF-RXQLHTCRSA-N 0 0 546.792 8.673 50 30 biogenic KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C)(C)Br)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070698372 553614178 /nfs/dbraw/zinc/61/41/78/553614178.db2.gz LUWMKIRDWVRJIY-WFRCDSPSSA-N 0 0 535.651 9.401 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccsc2)cc1OC ZINC000019723308 553615666 /nfs/dbraw/zinc/61/56/66/553615666.db2.gz ITWIHCVXYVAJDI-PIKZIKFNSA-N 0 0 514.647 6.074 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000019770169 553616100 /nfs/dbraw/zinc/61/61/00/553616100.db2.gz ZEVHMAXLBCHXNY-RBISFHTESA-N 0 0 515.009 5.719 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770188 553616109 /nfs/dbraw/zinc/61/61/09/553616109.db2.gz AUUIYBYETNFGIJ-AYWVHJORSA-N 0 0 507.586 5.563 50 30 KKEARN COc1cc(C(=O)Oc2c(Cl)cc(Cl)cc2/C=N\c2cc(C)c(C)cc2C)cc(OC)c1OC ZINC000020224125 553616464 /nfs/dbraw/zinc/61/64/64/553616464.db2.gz NBJFICTWWNNTCW-DBFSUHOCSA-N 0 0 502.394 6.914 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019805205 553617642 /nfs/dbraw/zinc/61/76/42/553617642.db2.gz IWOBKQLCOYLACN-KPURRNSFSA-N 0 0 501.623 5.941 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000019805872 553617720 /nfs/dbraw/zinc/61/77/20/553617720.db2.gz RUSPVENDJMIUQV-IXCJQBJRSA-N 0 0 525.626 5.805 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000019804630 553617762 /nfs/dbraw/zinc/61/77/62/553617762.db2.gz MACYDBKOMWIUJE-XMMPIXPASA-N 0 0 516.391 5.770 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)c(OC)c(OC)c3)C4=O)c2c1 ZINC000070700977 553620303 /nfs/dbraw/zinc/62/03/03/553620303.db2.gz OEHBHOIFLXXHAM-MBTHVWNTSA-N 0 0 592.600 7.360 50 30 biogenic KKEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000019832343 553622965 /nfs/dbraw/zinc/62/29/65/553622965.db2.gz VNMRREGCGJJBHU-DFBJGRDBSA-N 0 0 510.428 5.771 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000019853835 553624109 /nfs/dbraw/zinc/62/41/09/553624109.db2.gz JLCJQSJJWBCOFO-UHFFFAOYSA-N 0 0 521.013 5.376 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000019892353 553630591 /nfs/dbraw/zinc/63/05/91/553630591.db2.gz DDJFILYGSFMCNI-HRFSGMKKSA-N 0 0 526.029 5.299 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000019892350 553630608 /nfs/dbraw/zinc/63/06/08/553630608.db2.gz DDJFILYGSFMCNI-NFQMXDRXSA-N 0 0 526.029 5.299 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019892417 553630843 /nfs/dbraw/zinc/63/08/43/553630843.db2.gz UTUYZVPYCPUDFJ-AFJIDDCJSA-N 0 0 535.637 5.426 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000019892370 553630851 /nfs/dbraw/zinc/63/08/51/553630851.db2.gz KVQKOKREOORSOV-PPHZAIPVSA-N 0 0 526.029 5.299 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000019892448 553630853 /nfs/dbraw/zinc/63/08/53/553630853.db2.gz ILEIRHXDHMUTCQ-COYUYZSTSA-N 0 0 510.030 6.061 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C)c1 ZINC000019892379 553630859 /nfs/dbraw/zinc/63/08/59/553630859.db2.gz WCBGFYQZZHAHFI-RBISFHTESA-N 0 0 521.679 5.670 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019892541 553631094 /nfs/dbraw/zinc/63/10/94/553631094.db2.gz CQDCUECLKPTFHI-IQGFKKISSA-N 0 0 533.665 6.194 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000019892559 553631130 /nfs/dbraw/zinc/63/11/30/553631130.db2.gz NNWPIPOCMLOGSV-PZGXJGMVSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000019892669 553631297 /nfs/dbraw/zinc/63/12/97/553631297.db2.gz UULDTQBVHJMRIB-MMTVBGGISA-N 0 0 535.637 5.426 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)C3c2ccccc2)cc1 ZINC000019899434 553632551 /nfs/dbraw/zinc/63/25/51/553632551.db2.gz JHRDYEZITUIHKY-ZEQRLZLVSA-N 0 0 505.614 6.192 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020322589 553637875 /nfs/dbraw/zinc/63/78/75/553637875.db2.gz GIZCCLNHARMUOO-AKJBCIBTSA-N 0 0 519.981 5.887 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000020353471 553640473 /nfs/dbraw/zinc/64/04/73/553640473.db2.gz BJIGISHLRPPCCI-KBKYJPHKSA-N 0 0 508.019 5.997 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000020417665 553647685 /nfs/dbraw/zinc/64/76/85/553647685.db2.gz SDMJLFCCANDCLS-SRVANGTOSA-N 0 0 509.425 6.589 50 30 KKEARN CC1(C)[C@H](C(=O)O[C@@H](C#N)c2ccc(Oc3ccccc3)cc2)[C@H]1C=C(Br)Br ZINC000020512593 553668802 /nfs/dbraw/zinc/66/88/02/553668802.db2.gz SVQHJDITYPKCJD-HBFSDRIKSA-N 0 0 505.206 6.490 50 30 KKEARN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3c(Cl)cccc3Cl)c2C#N)cc1C ZINC000020608531 553677900 /nfs/dbraw/zinc/67/79/00/553677900.db2.gz ZIFLDSHQFDECKV-UHFFFAOYSA-N 0 0 510.368 7.294 50 30 KKEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 ZINC000020615187 553679768 /nfs/dbraw/zinc/67/97/68/553679768.db2.gz RFCLWFBWTUCJFD-WCMJOSRZSA-N 0 0 510.022 6.275 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@H](c3cccc(Br)c3)C12 ZINC000020092726 553685988 /nfs/dbraw/zinc/68/59/88/553685988.db2.gz YADRSATZERBVGV-HXUWFJFHSA-N 0 0 512.389 5.263 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3cccc(Br)c3)C12 ZINC000020090603 553685995 /nfs/dbraw/zinc/68/59/95/553685995.db2.gz KYYHZBGHAYZVLW-FQEVSTJZSA-N 0 0 501.837 6.008 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000020092758 553686085 /nfs/dbraw/zinc/68/60/85/553686085.db2.gz DZMDHSFGYFQABZ-FQEVSTJZSA-N 0 0 512.389 5.263 50 30 KKEARN CCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCC ZINC000085810532 553686707 /nfs/dbraw/zinc/68/67/07/553686707.db2.gz JADYBWICRJWGBW-UHFFFAOYSA-N 0 0 512.816 8.836 50 30 endogenous,in-man KKEARN Cc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000020103755 553687873 /nfs/dbraw/zinc/68/78/73/553687873.db2.gz VFNIMRFCIQJJBS-UHFFFAOYSA-N 0 0 507.596 7.904 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020103745 553687935 /nfs/dbraw/zinc/68/79/35/553687935.db2.gz KNWNPPYBGORKNP-UHFFFAOYSA-N 0 0 523.004 7.278 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1 ZINC000020103753 553687976 /nfs/dbraw/zinc/68/79/76/553687976.db2.gz BYRJHBQJBHWDLH-UHFFFAOYSA-N 0 0 528.014 8.249 50 30 KKEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)c5ccc(C)cc5)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085907546 553692327 /nfs/dbraw/zinc/69/23/27/553692327.db2.gz SGIFVQSXMNEDSK-CLUCLKIHSA-N 0 0 813.897 5.452 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2cc(Br)cs2)C(=O)/C(=C/c2cc(Br)cs2)C1 ZINC000020115610 553697159 /nfs/dbraw/zinc/69/71/59/553697159.db2.gz UWWTWQVZBXEXFI-FNCQTZNRSA-N 0 0 514.348 8.217 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100616 553699154 /nfs/dbraw/zinc/69/91/54/553699154.db2.gz WPNSMBKTSSLOGG-PSASIEDQSA-N 0 0 616.180 6.406 50 30 KKEARN CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccc([N+](=O)[O-])cc3)nn21 ZINC000020849940 553699418 /nfs/dbraw/zinc/69/94/18/553699418.db2.gz LEPMCKXEYTYGQN-HSZRJFAPSA-N 0 0 505.600 5.535 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000020850475 553699576 /nfs/dbraw/zinc/69/95/76/553699576.db2.gz SJJFMQYYQDVZDU-OAQYLSRUSA-N 0 0 503.430 6.674 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=N3)c(C)c1 ZINC000020850698 553699900 /nfs/dbraw/zinc/69/99/00/553699900.db2.gz XIRSKCPVOZOLGX-HSZRJFAPSA-N 0 0 513.494 7.152 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3)cc2)c1 ZINC000095346071 553700653 /nfs/dbraw/zinc/70/06/53/553700653.db2.gz KLVKCHLEGUBPSW-NDEPHWFRSA-N 0 0 507.590 5.439 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000095346203 553701145 /nfs/dbraw/zinc/70/11/45/553701145.db2.gz UQKSHNWUUXECPW-VWLOTQADSA-N 0 0 522.045 5.901 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccs5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471797 553701329 /nfs/dbraw/zinc/70/13/29/553701329.db2.gz TWBQBOOSMWSGJQ-HAIDSIHCSA-N 0 0 534.850 9.201 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000095483799 553702165 /nfs/dbraw/zinc/70/21/65/553702165.db2.gz YJUBLCJVRJBQQK-VWLOTQADSA-N 0 0 508.018 5.727 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000095483805 553702492 /nfs/dbraw/zinc/70/24/92/553702492.db2.gz MEWYSNOZHBLNPL-DEOSSOPVSA-N 0 0 509.990 5.003 50 30 KKEARN CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000095561602 553704326 /nfs/dbraw/zinc/70/43/26/553704326.db2.gz SNOJCYCOPNIGIK-ULETYAGTSA-N 0 0 659.913 8.539 50 30 in-vitro KKEARN O=C(c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2[C@@H]2NN3C(c4cccc(C(F)(F)F)c4)=Cc4ccccc4[C@@H]3NN12 ZINC000095660861 553706576 /nfs/dbraw/zinc/70/65/76/553706576.db2.gz USUULTHGZLQPGX-FIRIVFDPSA-N 0 0 604.554 7.798 50 30 KKEARN CC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671252 553707229 /nfs/dbraw/zinc/70/72/29/553707229.db2.gz SMQMUBNEBGDJAY-UHFFFAOYSA-N 0 0 520.179 6.339 50 30 KKEARN C=C(C)C(=O)OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676689 553707243 /nfs/dbraw/zinc/70/72/43/553707243.db2.gz DCXZWVLJCYXHDV-ZCFIWIBFSA-N 0 0 562.216 5.866 50 30 KKEARN CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671297 553707261 /nfs/dbraw/zinc/70/72/61/553707261.db2.gz FTECWCULPOFDJS-UHFFFAOYSA-N 0 0 644.494 11.867 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095686732 553708280 /nfs/dbraw/zinc/70/82/80/553708280.db2.gz DRRCLKOIEBNFIE-UHFFFAOYSA-N 0 0 728.133 8.345 50 30 KKEARN CCCCCCCCCCCCOc1ccc(C=C2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000095682046 553708291 /nfs/dbraw/zinc/70/82/91/553708291.db2.gz URFNGAMJEFOMIY-UHFFFAOYSA-N 0 0 618.643 9.188 50 30 KKEARN O=C(Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000095704559 553709005 /nfs/dbraw/zinc/70/90/05/553709005.db2.gz OGUSOEJIESWPES-UHFFFAOYSA-N 0 0 564.364 7.713 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095719240 553709648 /nfs/dbraw/zinc/70/96/48/553709648.db2.gz QJFHNYDPNSFJMR-UHFFFAOYSA-N 0 0 528.105 5.804 50 30 KKEARN CCCCCCCCOc1ccc(OCc2nnc(-c3ccc(OCCCCCCCC)cc3)s2)cc1 ZINC000095722800 553710329 /nfs/dbraw/zinc/71/03/29/553710329.db2.gz HXRQRSDOUUIGAO-UHFFFAOYSA-N 0 0 524.771 9.263 50 30 KKEARN CCOC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000095725697 553710646 /nfs/dbraw/zinc/71/06/46/553710646.db2.gz BRDKMYDVRQVFJR-HXUWFJFHSA-N 0 0 590.439 5.370 50 30 KKEARN O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2ncn1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000095725762 553711087 /nfs/dbraw/zinc/71/10/87/553711087.db2.gz AHVMMFGJNSPOOP-ZSNJKBEMSA-N 0 0 565.658 7.196 50 30 KKEARN O=C(CCCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742640 553712160 /nfs/dbraw/zinc/71/21/60/553712160.db2.gz WIUUWGRXYPQBOL-UHFFFAOYSA-N 0 0 554.331 7.509 50 30 KKEARN FC(F)(F)c1cc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000095742748 553712389 /nfs/dbraw/zinc/71/23/89/553712389.db2.gz RWXWQJYJWJNJNW-UHFFFAOYSA-N 0 0 500.308 7.571 50 30 KKEARN CCc1cc2c(cc1C(=O)CSc1nsc(SCC(=O)c3cc4c(cc3CC)C(C)(C)CCC4(C)C)c1C#N)C(C)(C)CCC2(C)C ZINC000095742770 553712426 /nfs/dbraw/zinc/71/24/26/553712426.db2.gz HBJKPBYZTSPIFU-UHFFFAOYSA-N 0 0 687.053 10.788 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000095892000 553714767 /nfs/dbraw/zinc/71/47/67/553714767.db2.gz SBXRJHNUDDUDJV-AREMUKBSSA-N 0 0 503.599 5.128 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000095892003 553714773 /nfs/dbraw/zinc/71/47/73/553714773.db2.gz PYYQKQLMMBKIRL-QHCPKHFHSA-N 0 0 524.415 5.103 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@H](C(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000096021786 553717862 /nfs/dbraw/zinc/71/78/62/553717862.db2.gz CVHRGKLMMRUABK-IWRMORTISA-N 0 0 637.758 6.599 50 30 KKEARN COc1ccc(C(=O)ON2c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3C(C)=CC2(C)C)cc1 ZINC000096022763 553722574 /nfs/dbraw/zinc/72/25/74/553722574.db2.gz KLAWKJWYYXRHCB-UHFFFAOYSA-N 0 0 565.713 8.852 50 30 KKEARN C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(OC)ccc3c2occ(-c2ccc(OC)cc2)c3=O)cc1 ZINC000096116087 553726601 /nfs/dbraw/zinc/72/66/01/553726601.db2.gz UNOXQWBWBZAOIM-RUZDIDTESA-N 0 0 514.574 6.127 50 30 biogenic KKEARN COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000022170740 553727427 /nfs/dbraw/zinc/72/74/27/553727427.db2.gz OPCHRDGCKYESHK-ZOYWYXQUSA-N 0 0 500.598 6.906 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccco1 ZINC000096289612 553741767 /nfs/dbraw/zinc/74/17/67/553741767.db2.gz KFHGXIFCXFFQNU-UHFFFAOYSA-N 0 0 503.603 5.118 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000096291139 553744482 /nfs/dbraw/zinc/74/44/82/553744482.db2.gz KMNIOJHOHOZYBH-UHFFFAOYSA-N 0 0 514.598 6.434 50 30 KKEARN CCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000022668240 553749224 /nfs/dbraw/zinc/74/92/24/553749224.db2.gz DNWPRVVPMJBJQN-UHFFFAOYSA-N 0 0 513.638 5.372 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000096791736 553757267 /nfs/dbraw/zinc/75/72/67/553757267.db2.gz RFPRMVCLFHDUFW-LYZGTLIUSA-N 0 0 529.637 5.300 50 30 KKEARN O=C(/C=C\c1ccccc1)Sc1ccc(Sc2ccc(SC(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000097406716 553758707 /nfs/dbraw/zinc/75/87/07/553758707.db2.gz MKHOBWKPGOMIBA-IINORCHSSA-N 0 0 510.705 8.502 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1ccncc1 ZINC000097939448 553759412 /nfs/dbraw/zinc/75/94/12/553759412.db2.gz NQUYBDLTCHAGNU-UHFFFAOYSA-N 0 0 523.254 5.090 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@@H]1CCCO1)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000097939599 553759744 /nfs/dbraw/zinc/75/97/44/553759744.db2.gz NVAYIMNXZLAEQS-GYERCMHNSA-N 0 0 598.490 5.256 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000097939715 553760803 /nfs/dbraw/zinc/76/08/03/553760803.db2.gz FVDCKXRHQAUPHG-MMTVBGGISA-N 0 0 529.614 5.461 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939795 553761279 /nfs/dbraw/zinc/76/12/79/553761279.db2.gz WUPOFSCADWGEGG-RBBQXQBVSA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939810 553761572 /nfs/dbraw/zinc/76/15/72/553761572.db2.gz LBPRBHXZWNQERK-APYJYERMSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000097939817 553761619 /nfs/dbraw/zinc/76/16/19/553761619.db2.gz KZLPNLQWWXMICX-CHJDUVSTSA-N 0 0 543.063 6.666 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939844 553761820 /nfs/dbraw/zinc/76/18/20/553761820.db2.gz DPKBUYFRRAYJAY-QNLPTKCRSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1 ZINC000097939858 553761873 /nfs/dbraw/zinc/76/18/73/553761873.db2.gz WNHDPIIAWBRJIM-URAOTHONSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000097939874 553762147 /nfs/dbraw/zinc/76/21/47/553762147.db2.gz JYBMJDQRLZYXQR-KEEVHDRGSA-N 0 0 589.088 6.380 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097939877 553762157 /nfs/dbraw/zinc/76/21/57/553762157.db2.gz GJLCQHUYWNREKC-JRPXNJEYSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097939879 553762174 /nfs/dbraw/zinc/76/21/74/553762174.db2.gz GJLCQHUYWNREKC-DFXYEROKSA-N 0 0 569.614 5.621 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939912 553762520 /nfs/dbraw/zinc/76/25/20/553762520.db2.gz BHGWDRBVNVHQLO-JPQMRUPTSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097939906 553762522 /nfs/dbraw/zinc/76/25/22/553762522.db2.gz JFZLZIKIAFJBJO-APYJYERMSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000097939901 553762537 /nfs/dbraw/zinc/76/25/37/553762537.db2.gz ZNQSZMZUHINGEX-URAOTHONSA-N 0 0 588.060 6.574 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097939904 553762543 /nfs/dbraw/zinc/76/25/43/553762543.db2.gz JFZLZIKIAFJBJO-GHRAFVERSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939947 553762776 /nfs/dbraw/zinc/76/27/76/553762776.db2.gz IVZTYOILNKORQH-NHRFMIRVSA-N 0 0 598.696 6.120 50 30 KKEARN N#Cc1c(SCC(=O)NCc2ccccc2Cl)nsc1SCC(=O)NCc1ccccc1Cl ZINC000097940245 553764069 /nfs/dbraw/zinc/76/40/69/553764069.db2.gz PKLFNRRAJZCKFV-UHFFFAOYSA-N 0 0 537.519 5.139 50 30 KKEARN CC(=O)Nc1ccccc1Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000097940235 553764076 /nfs/dbraw/zinc/76/40/76/553764076.db2.gz QSYDBOPTXUKSTG-UHFFFAOYSA-N 0 0 665.279 7.423 50 30 KKEARN COc1ccc(/C=N/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000097944331 553769298 /nfs/dbraw/zinc/76/92/98/553769298.db2.gz ZTDPTOGFSYXNGF-BTOBIWTOSA-N 0 0 553.644 5.013 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000097944435 553769563 /nfs/dbraw/zinc/76/95/63/553769563.db2.gz CNGVMTZQMFLWFH-AGFWSHOQSA-N 0 0 585.125 8.131 50 30 KKEARN CCSC(=N\c1ccccc1)/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc(F)cc1 ZINC000097944558 553770155 /nfs/dbraw/zinc/77/01/55/553770155.db2.gz PZAFNIVIIXWTAI-DTPBKQNXSA-N 0 0 537.689 8.636 50 30 KKEARN COc1cc(Br)c(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)cc1OC ZINC000097944916 553770303 /nfs/dbraw/zinc/77/03/03/553770303.db2.gz HJWICYOGWVIFLP-AOFZEWBLSA-N 0 0 523.452 6.313 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097945953 553775659 /nfs/dbraw/zinc/77/56/59/553775659.db2.gz ZKSZHNLBXARCAH-XDCSYDRFSA-N 0 0 539.695 7.619 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)c(C(=O)/C=C/c3ccco3)cc2C(=O)/C=C/c2ccco2)cc1 ZINC000097945996 553775930 /nfs/dbraw/zinc/77/59/30/553775930.db2.gz UITJTKDLUNPPIJ-JYFOCSDGSA-N 0 0 658.706 6.817 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023433090 553776195 /nfs/dbraw/zinc/77/61/95/553776195.db2.gz KGGMTOMGHLJZAZ-MUUNZHRXSA-N 0 0 519.045 5.006 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946191 553777473 /nfs/dbraw/zinc/77/74/73/553777473.db2.gz FDIHEDDXOLHKTD-LLXISZFLSA-N 0 0 602.716 5.134 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097946291 553778180 /nfs/dbraw/zinc/77/81/80/553778180.db2.gz NKQIBTYXCJTAMH-LHOSBTIMSA-N 0 0 690.778 5.068 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097946292 553778197 /nfs/dbraw/zinc/77/81/97/553778197.db2.gz KZPBWTRQWVHPPQ-JREUYWDSSA-N 0 0 704.805 5.458 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1C ZINC000097946628 553780779 /nfs/dbraw/zinc/78/07/79/553780779.db2.gz KOLLLHYWUKKNST-YSMPRRRNSA-N 0 0 586.504 6.398 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023451854 553782446 /nfs/dbraw/zinc/78/24/46/553782446.db2.gz IARPKEOPFNNOAS-PMERELPUSA-N 0 0 530.619 5.153 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1C ZINC000097947161 553784140 /nfs/dbraw/zinc/78/41/40/553784140.db2.gz WNPXWOXRJKMSSH-JDCMOKTRSA-N 0 0 617.174 8.644 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)c(F)c(C(F)(F)F)c(F)c1F)n2CCOC ZINC000023459173 553785196 /nfs/dbraw/zinc/78/51/96/553785196.db2.gz MZXUBSPRUVBODI-UHFFFAOYSA-N 0 0 510.431 5.727 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)cc1C ZINC000097947351 553785499 /nfs/dbraw/zinc/78/54/99/553785499.db2.gz VDMBMOFRXQUCEY-OFWBYEQRSA-N 0 0 589.721 6.271 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097947454 553786293 /nfs/dbraw/zinc/78/62/93/553786293.db2.gz TXMHQSNAKSAHDQ-SWBDNCPRSA-N 0 0 674.779 5.311 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097947453 553786316 /nfs/dbraw/zinc/78/63/16/553786316.db2.gz TXMHQSNAKSAHDQ-FUAQWRKOSA-N 0 0 674.779 5.311 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097947466 553786503 /nfs/dbraw/zinc/78/65/03/553786503.db2.gz UNXDEJNQZGTCGK-DAIZXWHWSA-N 0 0 660.752 5.002 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947499 553786852 /nfs/dbraw/zinc/78/68/52/553786852.db2.gz GTOZZNXHYXVWRD-OWJNKBIGSA-N 0 0 718.832 5.847 50 30 KKEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCc1csc(-c2cccc(Br)c2)n1 ZINC000023989364 553787841 /nfs/dbraw/zinc/78/78/41/553787841.db2.gz SNWHIVGZKKWFCF-UHFFFAOYSA-N 0 0 517.449 6.361 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947673 553788095 /nfs/dbraw/zinc/78/80/95/553788095.db2.gz GUHFITNALWRYBE-WGJPBTIMSA-N 0 0 695.595 5.505 50 30 KKEARN COc1cc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccccc1 ZINC000097947722 553788339 /nfs/dbraw/zinc/78/83/39/553788339.db2.gz CLZVBHUITRFEEO-JLPGSUDCSA-N 0 0 551.595 6.865 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097947886 553789453 /nfs/dbraw/zinc/78/94/53/553789453.db2.gz OXYFERPBQACBJV-WXTAPIANSA-N 0 0 545.388 7.765 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000024193152 553790358 /nfs/dbraw/zinc/79/03/58/553790358.db2.gz HFHFEXQMRSAXQZ-FQEVSTJZSA-N 0 0 519.604 5.470 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097948017 553790445 /nfs/dbraw/zinc/79/04/45/553790445.db2.gz CVEPECSSEKZGKM-UHFFFAOYSA-N 0 0 549.063 7.358 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1[C@@H](C)Oc1cccc(C)c1C ZINC000097948084 553790905 /nfs/dbraw/zinc/79/09/05/553790905.db2.gz LPXHBKNLMCFIHE-WOJBJXKFSA-N 0 0 551.782 6.870 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc([C@@H](C)Oc4cccc(C)c4C)n3C)sc2C1 ZINC000097948081 553790923 /nfs/dbraw/zinc/79/09/23/553790923.db2.gz VQGSFGLKEOILKT-UXHICEINSA-N 0 0 551.782 6.777 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000097948282 553792622 /nfs/dbraw/zinc/79/26/22/553792622.db2.gz FPSKDYIMKVIZJO-ZPGWACHHSA-N 0 0 560.742 7.503 50 30 KKEARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097948406 553793613 /nfs/dbraw/zinc/79/36/13/553793613.db2.gz OKPMNKJLJXQMBR-UHFFFAOYSA-N 0 0 567.283 6.396 50 30 KKEARN N#Cc1ccccc1C(=O)N1CCN(Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000025150946 553796407 /nfs/dbraw/zinc/79/64/07/553796407.db2.gz AFWJHMZLZMRLMV-UHFFFAOYSA-N 0 0 517.511 5.252 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000097948765 553796547 /nfs/dbraw/zinc/79/65/47/553796547.db2.gz ZOVDFKQUBIDLDH-XFSFLGPDSA-N 0 0 602.493 8.747 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097948766 553796571 /nfs/dbraw/zinc/79/65/71/553796571.db2.gz XHJQJUASFJJLER-WHUARKNTSA-N 0 0 602.684 6.049 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)c1 ZINC000025151083 553796626 /nfs/dbraw/zinc/79/66/26/553796626.db2.gz OLQIQOPZAVJNBM-YHQISMHQSA-N 0 0 522.634 5.041 50 30 KKEARN CCc1c(C)sc(N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c1C#N ZINC000097948798 553796871 /nfs/dbraw/zinc/79/68/71/553796871.db2.gz DHZKSOPFEVXDJF-UHFFFAOYSA-N 0 0 604.367 5.600 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(Br)c2)c1-c1ccc(C#N)cc1 ZINC000025153302 553797240 /nfs/dbraw/zinc/79/72/40/553797240.db2.gz UCSXBEJBJRZUGR-UHFFFAOYSA-N 0 0 502.412 6.831 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097948913 553797659 /nfs/dbraw/zinc/79/76/59/553797659.db2.gz FWPWYRSXUVWAGO-QTYPKTMWSA-N 0 0 614.695 6.049 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000097948911 553797685 /nfs/dbraw/zinc/79/76/85/553797685.db2.gz FWPWYRSXUVWAGO-CGKQSPDFSA-N 0 0 614.695 6.049 50 30 KKEARN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)nc2c1 ZINC000097949046 553798735 /nfs/dbraw/zinc/79/87/35/553798735.db2.gz RAZUVYCVHDHFDU-IYLMVCPTSA-N 0 0 634.733 7.412 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097949031 553798767 /nfs/dbraw/zinc/79/87/67/553798767.db2.gz KPNDUFPHUANICP-SBVPHTNJSA-N 0 0 633.188 8.937 50 30 KKEARN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)nc2c1 ZINC000097949049 553799085 /nfs/dbraw/zinc/79/90/85/553799085.db2.gz RAZUVYCVHDHFDU-LUWBXXKHSA-N 0 0 634.733 7.412 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000097949519 553802253 /nfs/dbraw/zinc/80/22/53/553802253.db2.gz ARFYGPJMUJGDQO-BSVVFNILSA-N 0 0 527.590 7.018 50 30 KKEARN C=CC[C@]1(C#N)C(SCC(=O)c2ccccc2)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000097949602 553802565 /nfs/dbraw/zinc/80/25/65/553802565.db2.gz UJXDTAVPQGUZOI-GGXMVOPNSA-N 0 0 547.518 7.290 50 30 KKEARN C=CC[C@]1(C#N)C(SCC(=O)c2ccccc2)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000097949601 553802572 /nfs/dbraw/zinc/80/25/72/553802572.db2.gz UJXDTAVPQGUZOI-LITSAYRRSA-N 0 0 547.518 7.290 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000097949666 553802852 /nfs/dbraw/zinc/80/28/52/553802852.db2.gz RTAUFJNZUXTZAX-JGCGQSQUSA-N 0 0 547.611 7.241 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000097950738 553805214 /nfs/dbraw/zinc/80/52/14/553805214.db2.gz RMTMJRPJWOYDRO-DEOSSOPVSA-N 0 0 581.050 7.663 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000097950945 553806242 /nfs/dbraw/zinc/80/62/42/553806242.db2.gz YZAQMCWQVNPVSX-HSZRJFAPSA-N 0 0 506.946 7.571 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097950957 553806294 /nfs/dbraw/zinc/80/62/94/553806294.db2.gz DFIIVVGDGFKBRX-QFIPXVFZSA-N 0 0 568.011 7.785 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000097950946 553806297 /nfs/dbraw/zinc/80/62/97/553806297.db2.gz NIIHSGVLRSFDCP-QFIPXVFZSA-N 0 0 524.917 7.529 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950943 553806311 /nfs/dbraw/zinc/80/63/11/553806311.db2.gz XLRFUNZHQKRYIV-OAQYLSRUSA-N 0 0 575.790 8.217 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2C2CCCCC2)cc1OC ZINC000025390065 553806990 /nfs/dbraw/zinc/80/69/90/553806990.db2.gz YZVXVYHDJUDUAN-UHFFFAOYSA-N 0 0 505.644 5.506 50 30 KKEARN Cc1cc(SCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)cc1Br ZINC000025392260 553807553 /nfs/dbraw/zinc/80/75/53/553807553.db2.gz KNRBTPMYHOWVON-GFCCVEGCSA-N 0 0 507.475 5.398 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951338 553808359 /nfs/dbraw/zinc/80/83/59/553808359.db2.gz BXCHBLDCHMCNFZ-IZEXYCQBSA-N 0 0 500.639 7.295 50 30 KKEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1 ZINC000025398306 553808585 /nfs/dbraw/zinc/80/85/85/553808585.db2.gz NZDRZMCDHXNBOY-UHFFFAOYSA-N 0 0 522.596 6.759 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000097951356 553808550 /nfs/dbraw/zinc/80/85/50/553808550.db2.gz UNCQZRORTXNKGH-HKBQPEDESA-N 0 0 548.639 7.140 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCC)cc2)cc1 ZINC000097951362 553808565 /nfs/dbraw/zinc/80/85/65/553808565.db2.gz IEBSEIUXVBQVBO-MFMCTBQISA-N 0 0 547.493 7.825 50 30 KKEARN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000025423924 553808922 /nfs/dbraw/zinc/80/89/22/553808922.db2.gz WISZDJRDUQWSIB-VAWYXSNFSA-N 0 0 518.466 5.804 50 30 KKEARN COc1ccc([C@@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951443 553809037 /nfs/dbraw/zinc/80/90/37/553809037.db2.gz CYHJYAVYJJWLPE-JOCHJYFZSA-N 0 0 528.439 5.414 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000097951518 553809696 /nfs/dbraw/zinc/80/96/96/553809696.db2.gz YSLDNIJBESQHKC-PMERELPUSA-N 0 0 521.717 8.885 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000025560489 553810129 /nfs/dbraw/zinc/81/01/29/553810129.db2.gz OJXWOGTWWZMYMS-QHCPKHFHSA-N 0 0 507.936 6.786 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097951765 553811087 /nfs/dbraw/zinc/81/10/87/553811087.db2.gz DKTDLKPJWXDFDL-HHHXNRCGSA-N 0 0 546.620 5.229 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097951766 553811134 /nfs/dbraw/zinc/81/11/34/553811134.db2.gz DKTDLKPJWXDFDL-MHZLTWQESA-N 0 0 546.620 5.229 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951768 553811159 /nfs/dbraw/zinc/81/11/59/553811159.db2.gz FNTXSCXTKVOGOV-QHCPKHFHSA-N 0 0 533.005 6.136 50 30 KKEARN CCCCCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 ZINC000097951843 553811707 /nfs/dbraw/zinc/81/17/07/553811707.db2.gz UWDVMASLHQCYAD-HXUWFJFHSA-N 0 0 532.728 5.145 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000025584546 553811989 /nfs/dbraw/zinc/81/19/89/553811989.db2.gz UNVQPLFFLKMJEK-RUZDIDTESA-N 0 0 524.455 6.195 50 30 KKEARN CCCC[NH+](CCCC)C[C@H](/C(C)=N/Nc1ccccc1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585189 553812181 /nfs/dbraw/zinc/81/21/81/553812181.db2.gz KKXZCQBJKCMAFH-KIUICIIMSA-N 0 0 539.720 7.637 50 30 KKEARN N=C1O[C@H](c2cccc([N+](=O)[O-])c2)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025585389 553812221 /nfs/dbraw/zinc/81/22/21/553812221.db2.gz SMAUYRZONZNLJF-HMCZTYNUSA-N 0 0 514.545 6.886 50 30 KKEARN N=C1O[C@@H](c2ccco2)C(=N/N(c2ccccc2)c2ccccc2)/C1=N/N(c1ccccc1)c1ccccc1 ZINC000025585367 553812223 /nfs/dbraw/zinc/81/22/23/553812223.db2.gz FWNBMUCFILRHFE-LPLHAXGRSA-N 0 0 511.585 7.717 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000097952167 553813396 /nfs/dbraw/zinc/81/33/96/553813396.db2.gz MSXPZMDZTRNSMP-WJOKGBTCSA-N 0 0 532.640 6.871 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952171 553813403 /nfs/dbraw/zinc/81/34/03/553813403.db2.gz YIRMKWVPBHOQNA-XMMPIXPASA-N 0 0 546.601 5.422 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000097952155 553813459 /nfs/dbraw/zinc/81/34/59/553813459.db2.gz HNYGVFNSMCPWFM-NHKHRBQYSA-N 0 0 543.620 6.385 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1 ZINC000025782028 553813553 /nfs/dbraw/zinc/81/35/53/553813553.db2.gz NWUYYCXRSYLJIP-FQEVSTJZSA-N 0 0 506.322 5.470 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000025781989 553813603 /nfs/dbraw/zinc/81/36/03/553813603.db2.gz OQTVPCVCRANXLT-NRFANRHFSA-N 0 0 505.334 6.075 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097952207 553813794 /nfs/dbraw/zinc/81/37/94/553813794.db2.gz SZWFLTWEDIAWDR-HSZRJFAPSA-N 0 0 549.446 6.467 50 30 KKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000025783437 553813832 /nfs/dbraw/zinc/81/38/32/553813832.db2.gz ALJLZIGQSGGHEM-XHCCPWGMSA-N 0 0 518.444 6.697 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000025783301 553813870 /nfs/dbraw/zinc/81/38/70/553813870.db2.gz GTVJUSNDNWSBBX-UZTOHYMASA-N 0 0 503.524 6.101 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952250 553814070 /nfs/dbraw/zinc/81/40/70/553814070.db2.gz XXUJPEIJDDMEMV-HHHXNRCGSA-N 0 0 542.657 6.829 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000097952242 553814253 /nfs/dbraw/zinc/81/42/53/553814253.db2.gz ZSSKGIZWIMYICR-HHHXNRCGSA-N 0 0 540.685 7.311 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952269 553814415 /nfs/dbraw/zinc/81/44/15/553814415.db2.gz MDSGGGUCBMILEJ-XMMPIXPASA-N 0 0 535.021 6.312 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097952294 553814851 /nfs/dbraw/zinc/81/48/51/553814851.db2.gz IYAFGAPWDXNDIN-SANMLTNESA-N 0 0 542.657 6.702 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097952325 553815202 /nfs/dbraw/zinc/81/52/02/553815202.db2.gz GYQZKUKQXBQQLM-HHHXNRCGSA-N 0 0 524.529 5.854 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000097952359 553815289 /nfs/dbraw/zinc/81/52/89/553815289.db2.gz ICDZZAFNTPWYSS-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952439 553815724 /nfs/dbraw/zinc/81/57/24/553815724.db2.gz MMDZDWBKJUYCEM-HSZRJFAPSA-N 0 0 533.447 6.713 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000097952540 553816686 /nfs/dbraw/zinc/81/66/86/553816686.db2.gz ZTQPLFQBUGFORM-AREMUKBSSA-N 0 0 528.630 6.492 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097952968 553818239 /nfs/dbraw/zinc/81/82/39/553818239.db2.gz GWPFXAHYCDZPRO-UVDDSOTQSA-N 0 0 539.462 8.208 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953012 553818461 /nfs/dbraw/zinc/81/84/61/553818461.db2.gz IJDHPCWMOZATDR-RUZDIDTESA-N 0 0 544.585 5.258 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097953046 553818823 /nfs/dbraw/zinc/81/88/23/553818823.db2.gz NRSQCUIRNSRHIV-JPQMRUPTSA-N 0 0 545.635 6.410 50 30 KKEARN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000097953936 553820003 /nfs/dbraw/zinc/82/00/03/553820003.db2.gz BPSQROUOIPXLDH-AREMUKBSSA-N 0 0 549.675 5.072 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097953923 553820043 /nfs/dbraw/zinc/82/00/43/553820043.db2.gz FYMFLEJAWRQLQU-SANMLTNESA-N 0 0 540.597 5.724 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953969 553820425 /nfs/dbraw/zinc/82/04/25/553820425.db2.gz IMIRPVRYKFBPFC-RUZDIDTESA-N 0 0 544.585 5.258 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097954062 553820993 /nfs/dbraw/zinc/82/09/93/553820993.db2.gz ZCZRDCYTIIOVLA-URAOTHONSA-N 0 0 541.644 6.222 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2Cc1ccccc1 ZINC000097954115 553821291 /nfs/dbraw/zinc/82/12/91/553821291.db2.gz SRSRZBPGNHMUGP-XMMPIXPASA-N 0 0 524.461 5.422 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954172 553821940 /nfs/dbraw/zinc/82/19/40/553821940.db2.gz RCXHUNAPIUXBEG-HKBQPEDESA-N 0 0 543.840 10.127 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027021098 553824014 /nfs/dbraw/zinc/82/40/14/553824014.db2.gz CNLNPITZQNDMFE-HSZRJFAPSA-N 0 0 513.644 6.230 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2CC1CCCCC1 ZINC000097954566 553824074 /nfs/dbraw/zinc/82/40/74/553824074.db2.gz DBAYRHJFGHLSEN-XMMPIXPASA-N 0 0 530.509 5.802 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(=O)C(c3nc4ccccc4s3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000027021733 553824349 /nfs/dbraw/zinc/82/43/49/553824349.db2.gz XBJNUXSVADILKC-NRFANRHFSA-N 0 0 517.632 6.024 50 30 KKEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000097954685 553824757 /nfs/dbraw/zinc/82/47/57/553824757.db2.gz RJFAMDUVGXQSDU-MUUNZHRXSA-N 0 0 544.570 5.314 50 30 KKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1cccc(Br)c1 ZINC000027469059 553826041 /nfs/dbraw/zinc/82/60/41/553826041.db2.gz XKWOWLYQCNDZOL-JLHYYAGUSA-N 0 0 507.225 7.631 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955002 553827052 /nfs/dbraw/zinc/82/70/52/553827052.db2.gz MLVBCRBASZHZIA-MMTVBGGISA-N 0 0 545.636 5.063 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955004 553827157 /nfs/dbraw/zinc/82/71/57/553827157.db2.gz MLVBCRBASZHZIA-NGOKVRLYSA-N 0 0 545.636 5.063 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097955001 553827191 /nfs/dbraw/zinc/82/71/91/553827191.db2.gz MLVBCRBASZHZIA-WTYVLRPYSA-N 0 0 545.636 5.063 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955027 553827444 /nfs/dbraw/zinc/82/74/44/553827444.db2.gz XJDOTSBAOJHQKT-DNOBIOAJSA-N 0 0 540.641 6.418 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000097955051 553827848 /nfs/dbraw/zinc/82/78/48/553827848.db2.gz MEOFQBLSASCEKX-WHLCRQNOSA-N 0 0 538.669 7.143 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955112 553828694 /nfs/dbraw/zinc/82/86/94/553828694.db2.gz IZJZSYDKKSZKQN-AKJBCIBTSA-N 0 0 542.632 6.839 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522412 553829076 /nfs/dbraw/zinc/82/90/76/553829076.db2.gz LYPPJBSACNIEMW-LKIAPMPTSA-N 0 0 501.608 5.066 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955150 553829197 /nfs/dbraw/zinc/82/91/97/553829197.db2.gz CQFYQYZEIRGOQV-BZQUYTCOSA-N 0 0 530.577 5.940 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522520 553829321 /nfs/dbraw/zinc/82/93/21/553829321.db2.gz GPOCKFXZUIGMOS-FTFNENMSSA-N 0 0 502.398 6.293 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522557 553829332 /nfs/dbraw/zinc/82/93/32/553829332.db2.gz XCZHYNUSFPSUBO-DCBAJMHUSA-N 0 0 511.962 5.368 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000097955182 553829357 /nfs/dbraw/zinc/82/93/57/553829357.db2.gz RKSIPBQZWQNQKA-BZQUYTCOSA-N 0 0 530.577 5.940 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955162 553829383 /nfs/dbraw/zinc/82/93/83/553829383.db2.gz DBJNMHIIWNKVFE-WGDIFIGCSA-N 0 0 526.614 6.028 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955178 553829470 /nfs/dbraw/zinc/82/94/70/553829470.db2.gz HPVCZNGJTYIQHD-DLUDVSRJSA-N 0 0 563.031 6.160 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955174 553829529 /nfs/dbraw/zinc/82/95/29/553829529.db2.gz KQPYGYLAGMSVCU-GYCJOSAFSA-N 0 0 560.628 5.299 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955199 553829823 /nfs/dbraw/zinc/82/98/23/553829823.db2.gz HLWCUSDINRGWJD-VOIUYBSRSA-N 0 0 546.645 5.858 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097955219 553829861 /nfs/dbraw/zinc/82/98/61/553829861.db2.gz VHGSHLRJPVXKPD-QUGAMOGWSA-N 0 0 526.614 6.110 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955231 553830341 /nfs/dbraw/zinc/83/03/41/553830341.db2.gz REEXOHVOGRQKHE-VTLMBFNKSA-N 0 0 648.737 7.389 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000027528018 553831371 /nfs/dbraw/zinc/83/13/71/553831371.db2.gz WSLTZRRXXMDRGB-UHFFFAOYSA-N 0 0 504.598 6.814 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955598 553831537 /nfs/dbraw/zinc/83/15/37/553831537.db2.gz YHQCXNUCMDSAAQ-MYYSRTQBSA-N 0 0 527.558 5.619 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097955577 553831589 /nfs/dbraw/zinc/83/15/89/553831589.db2.gz SBDGKARZIVDEJT-SMSORMJASA-N 0 0 549.627 5.454 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955602 553831730 /nfs/dbraw/zinc/83/17/30/553831730.db2.gz HHSAHDPRDVBNNE-CMJOXMDJSA-N 0 0 548.617 5.133 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955605 553832013 /nfs/dbraw/zinc/83/20/13/553832013.db2.gz HINZALNEPYMKJS-AKJBCIBTSA-N 0 0 542.613 5.810 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027533036 553832269 /nfs/dbraw/zinc/83/22/69/553832269.db2.gz JCHDBYSMBHPKEN-HSZRJFAPSA-N 0 0 509.448 5.153 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955655 553832462 /nfs/dbraw/zinc/83/24/62/553832462.db2.gz NHZNUWPSSODBAE-CPJLOUKISA-N 0 0 541.585 5.928 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955675 553832752 /nfs/dbraw/zinc/83/27/52/553832752.db2.gz OIFLNOFYRNDDCH-UULLZXFKSA-N 0 0 588.657 6.729 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955674 553832915 /nfs/dbraw/zinc/83/29/15/553832915.db2.gz OIFLNOFYRNDDCH-JYRCXFKTSA-N 0 0 588.657 6.729 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000027546901 553833020 /nfs/dbraw/zinc/83/30/20/553833020.db2.gz MXOKFOWYXRMHOA-OLILMLBXSA-N 0 0 512.581 5.843 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000027546896 553833058 /nfs/dbraw/zinc/83/30/58/553833058.db2.gz MXOKFOWYXRMHOA-ACSYHNTCSA-N 0 0 512.581 5.843 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955711 553833254 /nfs/dbraw/zinc/83/32/54/553833254.db2.gz VZHSGBIUCMPMSO-DXPJPUQTSA-N 0 0 542.613 5.815 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955760 553833579 /nfs/dbraw/zinc/83/35/79/553833579.db2.gz BJMZJEDYOKHQIT-CBZJRKILSA-N 0 0 540.641 6.364 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955755 553833634 /nfs/dbraw/zinc/83/36/34/553833634.db2.gz LCJYVBRZRSVTIK-QMTYFTJSSA-N 0 0 528.605 6.665 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955754 553833640 /nfs/dbraw/zinc/83/36/40/553833640.db2.gz LCJYVBRZRSVTIK-YHAMSUFESA-N 0 0 528.605 6.665 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CCCC)SC4=NC3=O)cc2)c(OC)c1 ZINC000027549377 553833835 /nfs/dbraw/zinc/83/38/35/553833835.db2.gz OGDHKGCXOGKWQX-XEQYNKKRSA-N 0 0 518.639 5.691 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955806 553834131 /nfs/dbraw/zinc/83/41/31/553834131.db2.gz KFPMLYTVLDONCL-LBEKAKSKSA-N 0 0 602.684 7.119 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955852 553834585 /nfs/dbraw/zinc/83/45/85/553834585.db2.gz BSHIIZCSTUITQC-MQNRADLISA-N 0 0 528.586 5.420 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955874 553834845 /nfs/dbraw/zinc/83/48/45/553834845.db2.gz HFXHBJCRGQIUGD-QMTYFTJSSA-N 0 0 542.613 5.810 50 30 KKEARN COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(C(F)(F)F)c3)cc2-c2ccc(F)cc2)cc1OC ZINC000097956023 553835678 /nfs/dbraw/zinc/83/56/78/553835678.db2.gz IHBOPRPENNGUHE-HQDYHJHZSA-N 0 0 526.530 7.569 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956211 553836933 /nfs/dbraw/zinc/83/69/33/553836933.db2.gz XRHXACZBACVSFO-QYBDOPJKSA-N 0 0 524.598 5.828 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956213 553837010 /nfs/dbraw/zinc/83/70/10/553837010.db2.gz BMOHUNAANDOMDA-QLXKLKPCSA-N 0 0 539.613 5.532 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097956559 553839897 /nfs/dbraw/zinc/83/98/97/553839897.db2.gz WKGRCDIDXCSLGW-NDEPHWFRSA-N 0 0 501.708 7.470 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956801 553841790 /nfs/dbraw/zinc/84/17/90/553841790.db2.gz IJTJQAQMUAZECX-JOCHJYFZSA-N 0 0 534.634 5.636 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956847 553842611 /nfs/dbraw/zinc/84/26/11/553842611.db2.gz SPAOKHAKLBCRAE-QHCPKHFHSA-N 0 0 548.661 6.026 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956860 553842646 /nfs/dbraw/zinc/84/26/46/553842646.db2.gz LQHWZFXDQMQUTG-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccc(C)cc1 ZINC000097956899 553843285 /nfs/dbraw/zinc/84/32/85/553843285.db2.gz MSLGKJIAXNHBKE-UHFFFAOYSA-N 0 0 601.162 6.458 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000097957170 553844890 /nfs/dbraw/zinc/84/48/90/553844890.db2.gz DRMKUZIJEHYCMW-CQTOTRCISA-N 0 0 591.590 9.218 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c2)C1 ZINC000029493032 553846109 /nfs/dbraw/zinc/84/61/09/553846109.db2.gz DNDRICJKYOPRJW-DHIUTWEWSA-N 0 0 546.737 5.163 50 30 KKEARN C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000029493122 553846188 /nfs/dbraw/zinc/84/61/88/553846188.db2.gz DTVHRBHHEKFXJY-QHCPKHFHSA-N 0 0 574.731 6.719 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097957666 553847440 /nfs/dbraw/zinc/84/74/40/553847440.db2.gz CENIVRJBHBGMJO-WAHKBFHJSA-N 0 0 646.769 5.615 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000029747957 553849143 /nfs/dbraw/zinc/84/91/43/553849143.db2.gz BEOFNPMJUXRYNE-BGOLNKOXSA-N 0 0 568.626 5.441 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000029747955 553849172 /nfs/dbraw/zinc/84/91/72/553849172.db2.gz BEOFNPMJUXRYNE-JCOAXYOVSA-N 0 0 568.626 5.441 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cccc(OCCOc4ccc(CCCCCC)cc4)c3)C2=N)S1 ZINC000097957901 553849451 /nfs/dbraw/zinc/84/94/51/553849451.db2.gz AMRMJADFDPLIEZ-PDNAQWHQSA-N 0 0 574.791 8.247 50 30 KKEARN C=CCc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000097958038 553850849 /nfs/dbraw/zinc/85/08/49/553850849.db2.gz OYEMBFMDXVBHNS-TXNGKBEGSA-N 0 0 591.693 6.156 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)cc2OC)c(OC)c1 ZINC000097958111 553851413 /nfs/dbraw/zinc/85/14/13/553851413.db2.gz OSQKNHQMEOSMTG-XBQJKBNESA-N 0 0 635.209 6.760 50 30 KKEARN CCOc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000097958161 553851713 /nfs/dbraw/zinc/85/17/13/553851713.db2.gz BFLAYEXESMNPOC-KEIPNQJHSA-N 0 0 562.110 7.042 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)n(Cc2ccco2)c(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000097958733 553857465 /nfs/dbraw/zinc/85/74/65/553857465.db2.gz GOVVELBJQPYZSR-JRZNSJKLSA-N 0 0 598.663 7.012 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000097958788 553857673 /nfs/dbraw/zinc/85/76/73/553857673.db2.gz UMTDCAQHGNAVKZ-HAVVHWLPSA-N 0 0 532.127 6.881 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4cccc(C(=O)/C=C/c5ccccc5)c4)c2)C3=O)c1 ZINC000097958798 553857724 /nfs/dbraw/zinc/85/77/24/553857724.db2.gz AICUUDJNYKHZJC-CTWPWMDCSA-N 0 0 721.769 8.784 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=N)S1 ZINC000097958796 553857751 /nfs/dbraw/zinc/85/77/51/553857751.db2.gz OEYPKUUNIFNVPV-OABSILKISA-N 0 0 660.578 7.046 50 30 KKEARN CCOc1cc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1Cl ZINC000097958898 553858707 /nfs/dbraw/zinc/85/87/07/553858707.db2.gz FDPTUQDRSKRTJS-QXUDOOCXSA-N 0 0 556.449 8.215 50 30 KKEARN Ic1cccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c1 ZINC000031895835 553862014 /nfs/dbraw/zinc/86/20/14/553862014.db2.gz LGOYCLAYZZUUFG-QFEZKATASA-N 0 0 504.335 5.078 50 30 KKEARN COc1cc(OC)c([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097959817 553866052 /nfs/dbraw/zinc/86/60/52/553866052.db2.gz HPFKHRYZZNRWFX-VWLOTQADSA-N 0 0 612.546 6.327 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(C(C)C)cc1 ZINC000097959852 553866362 /nfs/dbraw/zinc/86/63/62/553866362.db2.gz PDNRZSQYHQTQRF-HKBQPEDESA-N 0 0 616.556 7.162 50 30 KKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)S2)cc1 ZINC000097960102 553868318 /nfs/dbraw/zinc/86/83/18/553868318.db2.gz XYAXCKPUDYSBCF-XDHOZWIPSA-N 0 0 535.872 7.137 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000097960143 553868572 /nfs/dbraw/zinc/86/85/72/553868572.db2.gz LVLFNBKPDPHTTK-QRVIBDJDSA-N 0 0 604.897 7.041 50 30 KKEARN Cc1ccc(-n2cccc2/C=C2\S/C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000097960166 553868602 /nfs/dbraw/zinc/86/86/02/553868602.db2.gz XMFXHPXXUPJFMS-BILZQXJOSA-N 0 0 537.088 7.767 50 30 KKEARN Cc1ccc2cc(C=NNc3cc(-c4ccccc4)c4cc(Br)ccc4n3)c(Cl)nc2c1 ZINC000032565810 553869335 /nfs/dbraw/zinc/86/93/35/553869335.db2.gz AMWIGTZRMGQXRI-FDVSRXAVSA-N 0 0 501.815 7.620 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)S2)cc1 ZINC000097960441 553871654 /nfs/dbraw/zinc/87/16/54/553871654.db2.gz YDTLLFHQEFPYDE-RDRPBHBLSA-N 0 0 558.103 7.617 50 30 KKEARN Ic1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(I)cc4)cc3)cc2)cc1 ZINC000097960676 553873354 /nfs/dbraw/zinc/87/33/54/553873354.db2.gz RVWMDLYMYLCHRA-YAGSLNJISA-N 0 0 628.251 8.189 50 30 KKEARN COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000097961045 553875201 /nfs/dbraw/zinc/87/52/01/553875201.db2.gz HCVJWORNUASOJE-PKGWOTSESA-N 0 0 564.704 6.714 50 30 KKEARN COc1ccc2[nH]cc(CCNC(=NC(=O)Nc3ccc(Cl)c(Cl)c3)Nc3nc(C)cc(C)n3)c2c1 ZINC000097961726 553880339 /nfs/dbraw/zinc/88/03/39/553880339.db2.gz KGKQAJMVQSPHER-UHFFFAOYSA-N 0 0 526.428 5.722 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1cccc(Cl)c1)cn2CC ZINC000032961217 553882308 /nfs/dbraw/zinc/88/23/08/553882308.db2.gz AYEBIMSGBZAMST-QQXSKIMKSA-N 0 0 520.124 5.446 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C/c5ccc(OC)c(OC)c5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000097962035 553882470 /nfs/dbraw/zinc/88/24/70/553882470.db2.gz UOLJHMOQELBHIO-FRJOBGHKSA-N 0 0 573.609 6.140 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccc(OC)cc2)cc1 ZINC000097962039 553882515 /nfs/dbraw/zinc/88/25/15/553882515.db2.gz YTGKHSGLVSWCTE-NNMHWGRNSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000097962030 553882537 /nfs/dbraw/zinc/88/25/37/553882537.db2.gz JMWZOHDPLXDKMT-JBPCWOLMSA-N 0 0 541.611 6.821 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962072 553882865 /nfs/dbraw/zinc/88/28/65/553882865.db2.gz ZAASLADWTHHKQC-YLCMPJAKSA-N 0 0 553.575 5.082 50 30 KKEARN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000097962228 553883907 /nfs/dbraw/zinc/88/39/07/553883907.db2.gz XKPPNRZWQDUTDE-MFKUBSTISA-N 0 0 540.081 7.591 50 30 KKEARN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCc1ccc2c(c1)OCO2 ZINC000097962650 553884921 /nfs/dbraw/zinc/88/49/21/553884921.db2.gz FDCNARDGXLXVKP-KYHGBAKBSA-N 0 0 540.641 6.946 50 30 KKEARN O=C1CN(Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000097963034 553886374 /nfs/dbraw/zinc/88/63/74/553886374.db2.gz NLHAAYPETMIXQA-OYVVAWMLSA-N 0 0 567.689 7.222 50 30 KKEARN COc1ccc(OC)c(NC(=O)c2c(/N=C/c3cccc(OC)c3OC)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000097964043 553895901 /nfs/dbraw/zinc/89/59/01/553895901.db2.gz QJYITJVSJLBKQX-HMNPYCRMSA-N 0 0 536.694 6.936 50 30 KKEARN COc1ccc(OC)c(NC(=O)c2c(/N=C/c3ccc(OC)c(OC)c3OC)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000097964047 553895974 /nfs/dbraw/zinc/89/59/74/553895974.db2.gz BOVQAAXJSFRKIN-RPHGZPOOSA-N 0 0 566.720 6.945 50 30 KKEARN C=CCc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000097964336 553897488 /nfs/dbraw/zinc/89/74/88/553897488.db2.gz NUBUVCNTEVWPLL-GVWPOUHMSA-N 0 0 567.715 6.657 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965467 553904850 /nfs/dbraw/zinc/90/48/50/553904850.db2.gz ZTIFAPRUGODDSV-OHRLHWGPSA-N 0 0 540.648 5.941 50 30 KKEARN COc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(CO/N=C(\C)c4ccccc4)nc3c21 ZINC000097965900 553906193 /nfs/dbraw/zinc/90/61/93/553906193.db2.gz NHJAXYJNHCUVQC-APIUOXDWSA-N 0 0 557.614 5.854 50 30 KKEARN N#Cc1c(/N=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000097966015 553906795 /nfs/dbraw/zinc/90/67/95/553906795.db2.gz XUMOPDDPXMDIGZ-JRZNSJKLSA-N 0 0 527.627 9.392 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000097966150 553907409 /nfs/dbraw/zinc/90/74/09/553907409.db2.gz MRXPWHKJWVIFNP-HTFUVUAGSA-N 0 0 579.527 8.916 50 30 KKEARN C=CCc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000097966223 553907575 /nfs/dbraw/zinc/90/75/75/553907575.db2.gz YJMSLSQDVKOIEL-BITBSKGISA-N 0 0 553.566 5.639 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000097966269 553907783 /nfs/dbraw/zinc/90/77/83/553907783.db2.gz IVVYACFJZQQRFJ-XZGDKDFRSA-N 0 0 526.661 8.223 50 30 KKEARN COc1cccc(-n2c(=O)c3c(nc2N/N=C/c2ccc(Br)cc2)-c2ccccc2CC32CCCCC2)c1 ZINC000097966387 553908618 /nfs/dbraw/zinc/90/86/18/553908618.db2.gz XZMVSUFNEMWEQU-FMFFXOCNSA-N 0 0 569.503 6.875 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097966753 553909922 /nfs/dbraw/zinc/90/99/22/553909922.db2.gz CVJKRKDNGPPZTI-NDEPHWFRSA-N 0 0 581.496 5.791 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097966754 553909995 /nfs/dbraw/zinc/90/99/95/553909995.db2.gz CVJKRKDNGPPZTI-MUUNZHRXSA-N 0 0 581.496 5.791 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097966844 553911076 /nfs/dbraw/zinc/91/10/76/553911076.db2.gz OGWCBFZVKWTKIE-ROTAYESASA-N 0 0 565.622 6.359 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OC(C)C ZINC000097966846 553911093 /nfs/dbraw/zinc/91/10/93/553911093.db2.gz FOBUOIKFHJJRTL-VWLOTQADSA-N 0 0 547.479 5.390 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966898 553911461 /nfs/dbraw/zinc/91/14/61/553911461.db2.gz DGXCQHQFGBQNHU-PGUFJCEWSA-N 0 0 618.730 6.667 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097967063 553913387 /nfs/dbraw/zinc/91/33/87/553913387.db2.gz WEGYRGQEFZMWQR-JPZYQRIQSA-N 0 0 555.671 6.756 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N=C(Nc1cccc(Cl)c1C)Nc1nc(C)cc(C)n1 ZINC000097967206 553915278 /nfs/dbraw/zinc/91/52/78/553915278.db2.gz FEGSADVNOQFGEA-UHFFFAOYSA-N 0 0 543.842 7.046 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967215 553915378 /nfs/dbraw/zinc/91/53/78/553915378.db2.gz ACDQGJAYPDPCRM-APYJYERMSA-N 0 0 561.634 6.376 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967236 553915759 /nfs/dbraw/zinc/91/57/59/553915759.db2.gz ZEWSBWXRXLWYKX-AUSOSSAASA-N 0 0 648.737 7.389 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967282 553916141 /nfs/dbraw/zinc/91/61/41/553916141.db2.gz VTOLIRNNZYXPDB-RBSBEOHCSA-N 0 0 598.677 6.375 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967287 553916330 /nfs/dbraw/zinc/91/63/30/553916330.db2.gz QWQAZSRKYZLJHN-NDEPHWFRSA-N 0 0 600.649 5.823 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967320 553916732 /nfs/dbraw/zinc/91/67/32/553916732.db2.gz XPRNTVKAFJGEPL-PMERELPUSA-N 0 0 614.720 6.901 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967314 553916808 /nfs/dbraw/zinc/91/68/08/553916808.db2.gz CHMVSBHKVCKRGA-JCOAXYOVSA-N 0 0 612.748 7.597 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097967369 553917588 /nfs/dbraw/zinc/91/75/88/553917588.db2.gz QFHNBBZYPQCLJL-RUZDIDTESA-N 0 0 576.627 5.431 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967387 553917642 /nfs/dbraw/zinc/91/76/42/553917642.db2.gz HAMPJURZEFITQN-LGGPFLRQSA-N 0 0 559.663 5.309 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967367 553917650 /nfs/dbraw/zinc/91/76/50/553917650.db2.gz OLYIFRFKODBTJX-LBEKAKSKSA-N 0 0 600.693 6.599 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967373 553917766 /nfs/dbraw/zinc/91/77/66/553917766.db2.gz QZGMFLBIMAGHDE-UULLZXFKSA-N 0 0 586.666 6.209 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967395 553918036 /nfs/dbraw/zinc/91/80/36/553918036.db2.gz KHWWPQWROSHUGV-QUGAMOGWSA-N 0 0 560.672 6.185 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967394 553918111 /nfs/dbraw/zinc/91/81/11/553918111.db2.gz KHWWPQWROSHUGV-WGDIFIGCSA-N 0 0 560.672 6.185 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967424 553918118 /nfs/dbraw/zinc/91/81/18/553918118.db2.gz PPBWOGYIFHYKLO-WJOKGBTCSA-N 0 0 620.683 6.828 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000097967454 553918362 /nfs/dbraw/zinc/91/83/62/553918362.db2.gz LBTXHQGARNTUSE-KPGMTVGESA-N 0 0 568.526 8.478 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967429 553918535 /nfs/dbraw/zinc/91/85/35/553918535.db2.gz XMNJAQNYXCVJIG-MHZLTWQESA-N 0 0 554.624 6.032 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967585 553920559 /nfs/dbraw/zinc/92/05/59/553920559.db2.gz JLXAYMFFMKXVDE-SSOJOUAXSA-N 0 0 576.671 5.913 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967637 553920923 /nfs/dbraw/zinc/92/09/23/553920923.db2.gz AHOVLGZZTSJJKF-YTTGMZPUSA-N 0 0 650.709 6.837 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967634 553921015 /nfs/dbraw/zinc/92/10/15/553921015.db2.gz XFXBPYNQAKCALO-WJOKGBTCSA-N 0 0 628.747 7.291 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967636 553921065 /nfs/dbraw/zinc/92/10/65/553921065.db2.gz AHOVLGZZTSJJKF-JGCGQSQUSA-N 0 0 650.709 6.837 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967650 553921336 /nfs/dbraw/zinc/92/13/36/553921336.db2.gz JPNQZRSZEZYKBF-MYUZEXMDSA-N 0 0 554.624 5.837 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967675 553921738 /nfs/dbraw/zinc/92/17/38/553921738.db2.gz DYPMEWPQOCKMHI-GEFUHLBYSA-N 0 0 604.684 7.594 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967694 553921933 /nfs/dbraw/zinc/92/19/33/553921933.db2.gz VYSLINBLAANUHM-FZYZMVIOSA-N 0 0 622.674 7.129 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967677 553921972 /nfs/dbraw/zinc/92/19/72/553921972.db2.gz DYPMEWPQOCKMHI-QJWGWKRISA-N 0 0 604.684 7.594 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967730 553922289 /nfs/dbraw/zinc/92/22/89/553922289.db2.gz UKTBPZRMHASWBI-MYUZEXMDSA-N 0 0 620.724 6.312 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967711 553922327 /nfs/dbraw/zinc/92/23/27/553922327.db2.gz NBKQWHQSKVPCSI-RCRUUEGKSA-N 0 0 573.690 5.699 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967746 553922687 /nfs/dbraw/zinc/92/26/87/553922687.db2.gz CUMUMGYDMBJQRI-VKGTZQKMSA-N 0 0 554.668 6.890 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967772 553923093 /nfs/dbraw/zinc/92/30/93/553923093.db2.gz QWEFSURMYXRSCP-SOKVYYICSA-N 0 0 575.086 7.235 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967777 553923222 /nfs/dbraw/zinc/92/32/22/553923222.db2.gz BSGKPVVDFAYZMA-GDLZYMKVSA-N 0 0 614.676 6.213 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967802 553923663 /nfs/dbraw/zinc/92/36/63/553923663.db2.gz XKXGISCDPXUTEV-CGKQSPDFSA-N 0 0 634.710 6.999 50 30 KKEARN CN(C)c1ccc(/C=[NH+]/[N-]c2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)cc1 ZINC000033353211 553923846 /nfs/dbraw/zinc/92/38/46/553923846.db2.gz SBIBVBCVZRSONP-YSURURNPSA-N 0 0 548.260 5.954 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967907 553924874 /nfs/dbraw/zinc/92/48/74/553924874.db2.gz WCSDKMVKTIVPAP-QWXGXRTQSA-N 0 0 558.612 5.516 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967908 553924903 /nfs/dbraw/zinc/92/49/03/553924903.db2.gz WCSDKMVKTIVPAP-HAWMADMCSA-N 0 0 558.612 5.516 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000033353670 553926489 /nfs/dbraw/zinc/92/64/89/553926489.db2.gz GDNWKQSBEFRYIG-UHFFFAOYSA-N 0 0 549.228 5.267 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(Cl)cc2)cc1 ZINC000097968051 553927124 /nfs/dbraw/zinc/92/71/24/553927124.db2.gz ZYWOEVZXBYZTFI-PSLDYYLHSA-N 0 0 578.032 6.117 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000033353968 553927924 /nfs/dbraw/zinc/92/79/24/553927924.db2.gz YFDQIVQYBCPDMA-HSZRJFAPSA-N 0 0 552.494 6.310 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(Nc3ccccc3)n2)cc1 ZINC000033354078 553928528 /nfs/dbraw/zinc/92/85/28/553928528.db2.gz SXIYPAVJLCEZCR-BRJLIKDPSA-N 0 0 694.231 5.628 50 30 KKEARN CCOc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]23)cc1 ZINC000033354278 553929122 /nfs/dbraw/zinc/92/91/22/553929122.db2.gz SNZMYKOCJBYYBR-UEOZCJFVSA-N 0 0 542.635 6.437 50 30 KKEARN O=C(N[C@H](c1ccc(Cl)cc1)[C@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000033354477 553930096 /nfs/dbraw/zinc/93/00/96/553930096.db2.gz KXXAWMDWJDXTAO-HJFWAPJYSA-N 0 0 542.293 8.632 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]4c2ccccc2)cc1 ZINC000097968309 553930374 /nfs/dbraw/zinc/93/03/74/553930374.db2.gz RGUSWXAQMVIDPJ-PSLDYYLHSA-N 0 0 578.032 6.117 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000033354696 553930813 /nfs/dbraw/zinc/93/08/13/553930813.db2.gz KTDIKEKGDOVVHM-JXSYCYSGSA-N 0 0 619.161 8.639 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1OC ZINC000097968395 553932004 /nfs/dbraw/zinc/93/20/04/553932004.db2.gz LIUKMXSOKVQRAD-PNEXRJAKSA-N 0 0 563.639 6.583 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2Br)nnc1-c1cccs1 ZINC000033354952 553932565 /nfs/dbraw/zinc/93/25/65/553932565.db2.gz WDCVBEQCICROSF-UHFFFAOYSA-N 0 0 569.594 7.154 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1 ZINC000033355073 553932926 /nfs/dbraw/zinc/93/29/26/553932926.db2.gz FWOFQNYHJWPTEY-UHFFFAOYSA-N 0 0 612.921 10.238 50 30 biogenic KKEARN COc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000033355158 553933502 /nfs/dbraw/zinc/93/35/02/553933502.db2.gz PMUDFSVPVBNISF-KMRXNPHXSA-N 0 0 532.562 6.714 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(Br)cc4)sc3c2)cc1 ZINC000033355256 553933948 /nfs/dbraw/zinc/93/39/48/553933948.db2.gz GKQNXPDTMUCDLQ-UHFFFAOYSA-N 0 0 654.696 9.561 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2cccc(C)c2)n(-c2ccccc2)c1=O ZINC000097968747 553934013 /nfs/dbraw/zinc/93/40/13/553934013.db2.gz LRDKWUCOZDLGDE-VVZDOHCZSA-N 0 0 560.473 5.160 50 30 KKEARN O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N=NCc2ccc(Br)cc2)n1 ZINC000097968828 553934589 /nfs/dbraw/zinc/93/45/89/553934589.db2.gz ADUGWGZENNSGBC-LIMNOBDPSA-N 0 0 584.087 6.650 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@H](O)C[S@@](=O)Cc1ccc(Cl)cc1 ZINC000033355425 553934787 /nfs/dbraw/zinc/93/47/87/553934787.db2.gz DPKRAOABIRAAFO-XAIPSOGISA-N 0 0 597.987 7.105 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(Nc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033355555 553935479 /nfs/dbraw/zinc/93/54/79/553935479.db2.gz PPUNLDQHOQERQF-JPTJSCIISA-N 0 0 570.927 6.032 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000097969103 553936655 /nfs/dbraw/zinc/93/66/55/553936655.db2.gz NKGJHXOTQOSOLL-SANMLTNESA-N 0 0 571.512 5.237 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969144 553936871 /nfs/dbraw/zinc/93/68/71/553936871.db2.gz YTHUMWWYMOGPCI-CBZJRKILSA-N 0 0 556.640 6.200 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969145 553937049 /nfs/dbraw/zinc/93/70/49/553937049.db2.gz YTHUMWWYMOGPCI-SOKVYYICSA-N 0 0 556.640 6.200 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969216 553938182 /nfs/dbraw/zinc/93/81/82/553938182.db2.gz PCPYJZJBKHZVQZ-GFJKYASSSA-N 0 0 618.711 7.380 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097969231 553938283 /nfs/dbraw/zinc/93/82/83/553938283.db2.gz XTZWOAGXJMDBTK-NDEPHWFRSA-N 0 0 552.587 5.347 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000097969227 553938419 /nfs/dbraw/zinc/93/84/19/553938419.db2.gz RTMGKPFMHPKMNI-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969364 553940181 /nfs/dbraw/zinc/94/01/81/553940181.db2.gz ZCAPDYOJLPDYGN-WENCNXQZSA-N 0 0 635.767 7.489 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969371 553940207 /nfs/dbraw/zinc/94/02/07/553940207.db2.gz VABLZELVRQNSCG-GDJIYFAZSA-N 0 0 552.652 6.584 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097969403 553940339 /nfs/dbraw/zinc/94/03/39/553940339.db2.gz MEHLUCKNHPBSLM-JPZYQRIQSA-N 0 0 555.671 6.409 50 30 KKEARN O=C(Oc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1)N1c2ccccc2Sc2ccccc21 ZINC000033356354 553940945 /nfs/dbraw/zinc/94/09/45/553940945.db2.gz WEKDROLAKSNWQW-UMSFTDKQSA-N 0 0 582.706 9.355 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000097969465 553941079 /nfs/dbraw/zinc/94/10/79/553941079.db2.gz YSAVQOLNPYZMJU-LJAQVGFWSA-N 0 0 605.529 5.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097969485 553941621 /nfs/dbraw/zinc/94/16/21/553941621.db2.gz FQIPULHHJCYWLI-MGBGTMOVSA-N 0 0 593.805 8.772 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969595 553942609 /nfs/dbraw/zinc/94/26/09/553942609.db2.gz GOOTUXARKNMTAR-GKVSMKOHSA-N 0 0 572.639 5.465 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969621 553942970 /nfs/dbraw/zinc/94/29/70/553942970.db2.gz FWCXPYNGIJJICV-XDBZFTIUSA-N 0 0 604.725 6.728 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097969663 553943525 /nfs/dbraw/zinc/94/35/25/553943525.db2.gz SDXDZPKDVSRHBZ-SANMLTNESA-N 0 0 556.640 6.157 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033356701 553943631 /nfs/dbraw/zinc/94/36/31/553943631.db2.gz QTQDMKUPNGFCRW-UHFFFAOYSA-N 0 0 573.904 8.445 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969716 553944106 /nfs/dbraw/zinc/94/41/06/553944106.db2.gz WVYNXMUDLDOHLB-GDLZYMKVSA-N 0 0 600.693 6.818 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969726 553944171 /nfs/dbraw/zinc/94/41/71/553944171.db2.gz UWMVUGWZDZLXJR-JGCGQSQUSA-N 0 0 634.710 7.137 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969761 553944666 /nfs/dbraw/zinc/94/46/66/553944666.db2.gz YVYAOIAJNXIAIN-ACSYHNTCSA-N 0 0 568.695 7.136 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969789 553944894 /nfs/dbraw/zinc/94/48/94/553944894.db2.gz FHRFIGQRYJQXFE-OQRWROFFSA-N 0 0 602.665 5.827 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969913 553946900 /nfs/dbraw/zinc/94/69/00/553946900.db2.gz YTFPWTVVRGOFTG-UZTOHYMASA-N 0 0 602.709 6.470 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969980 553947711 /nfs/dbraw/zinc/94/77/11/553947711.db2.gz BBOKVUNJXFWJAH-QTEAWJPNSA-N 0 0 614.720 6.989 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969987 553947776 /nfs/dbraw/zinc/94/77/76/553947776.db2.gz WKRXHEUEUFIBGL-QTEAWJPNSA-N 0 0 614.720 6.845 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969961 553947869 /nfs/dbraw/zinc/94/78/69/553947869.db2.gz XYXOGNMJLCCZBV-JMQGSBJISA-N 0 0 580.662 6.339 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970000 553948137 /nfs/dbraw/zinc/94/81/37/553948137.db2.gz PBSJQHLTLPOXDS-ICACTRECSA-N 0 0 602.712 7.598 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969993 553948177 /nfs/dbraw/zinc/94/81/77/553948177.db2.gz ARUVKLHDGYVQME-GFJKYASSSA-N 0 0 642.774 7.625 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970020 553948276 /nfs/dbraw/zinc/94/82/76/553948276.db2.gz LIORHOOMLOGPNK-JMQGSBJISA-N 0 0 589.113 7.625 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970037 553948640 /nfs/dbraw/zinc/94/86/40/553948640.db2.gz WMQTYBYLZGXGMK-QMTYFTJSSA-N 0 0 574.655 5.724 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970072 553948950 /nfs/dbraw/zinc/94/89/50/553948950.db2.gz ANSKROOFOOKZOM-SLQAJWMNSA-N 0 0 584.694 6.980 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970062 553948963 /nfs/dbraw/zinc/94/89/63/553948963.db2.gz ODYGJAOXOGXNQP-IVCQMTBJSA-N 0 0 590.654 5.308 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970137 553949966 /nfs/dbraw/zinc/94/99/66/553949966.db2.gz HSCWZHWQCOIECU-CRYYWNKWSA-N 0 0 575.086 7.235 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)cc1OC ZINC000097970174 553950346 /nfs/dbraw/zinc/95/03/46/553950346.db2.gz MWZXVQUNXAKKIH-MIDBOFFGSA-N 0 0 567.379 5.491 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000033357743 553950695 /nfs/dbraw/zinc/95/06/95/553950695.db2.gz DLRHQWKURYRFLM-KKIUXKEOSA-N 0 0 577.052 6.505 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970204 553950810 /nfs/dbraw/zinc/95/08/10/553950810.db2.gz CEHGKECVOYNMOI-AREMUKBSSA-N 0 0 556.596 5.424 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970205 553950815 /nfs/dbraw/zinc/95/08/15/553950815.db2.gz CEHGKECVOYNMOI-SANMLTNESA-N 0 0 556.596 5.424 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970221 553951086 /nfs/dbraw/zinc/95/10/86/553951086.db2.gz BYRZQMYNSNSTJW-SLQAJWMNSA-N 0 0 584.694 6.836 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970214 553951157 /nfs/dbraw/zinc/95/11/57/553951157.db2.gz CHDVKWFJVGNJHZ-WJOKGBTCSA-N 0 0 562.751 8.963 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970233 553951321 /nfs/dbraw/zinc/95/13/21/553951321.db2.gz DONRJXXMKFYYOL-BGOLNKOXSA-N 0 0 633.795 8.213 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970272 553952090 /nfs/dbraw/zinc/95/20/90/553952090.db2.gz FXEUSOROWBRCKS-GYCJOSAFSA-N 0 0 562.644 5.523 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1OC ZINC000097970273 553952095 /nfs/dbraw/zinc/95/20/95/553952095.db2.gz YCRSWDMKMSGRSA-JGCGQSQUSA-N 0 0 608.776 8.672 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000097970323 553952595 /nfs/dbraw/zinc/95/25/95/553952595.db2.gz MLPWQONVIIZLMF-HKBQPEDESA-N 0 0 568.198 9.408 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970338 553952984 /nfs/dbraw/zinc/95/29/84/553952984.db2.gz QZVFJGIRBUQFFQ-WRHNGFHOSA-N 0 0 554.668 6.925 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970370 553953309 /nfs/dbraw/zinc/95/33/09/553953309.db2.gz HGPSLNGYSRVAEG-HFJWLAOPSA-N 0 0 588.682 6.080 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000033358248 553953914 /nfs/dbraw/zinc/95/39/14/553953914.db2.gz JGKRXGLYGYOROR-WLFXDIPCSA-N 0 0 634.172 8.075 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970481 553954560 /nfs/dbraw/zinc/95/45/60/553954560.db2.gz KCNAMNPYIMCHCP-XIFFEERXSA-N 0 0 664.736 7.227 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970479 553954693 /nfs/dbraw/zinc/95/46/93/553954693.db2.gz MHZMSKWSIRTPJG-PMERELPUSA-N 0 0 606.656 6.438 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970509 553955149 /nfs/dbraw/zinc/95/51/49/553955149.db2.gz IDCTYBZKGWSICG-QMTYFTJSSA-N 0 0 561.059 6.845 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000033358438 553955667 /nfs/dbraw/zinc/95/56/67/553955667.db2.gz ROBLFUDGKWWUMO-PPHZAIPVSA-N 0 0 616.574 6.220 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970592 553956235 /nfs/dbraw/zinc/95/62/35/553956235.db2.gz LKRAGZFDSDNDEA-JCOAXYOVSA-N 0 0 612.748 7.597 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970595 553956238 /nfs/dbraw/zinc/95/62/38/553956238.db2.gz LKRAGZFDSDNDEA-UKPGIYTDSA-N 0 0 612.748 7.597 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970672 553957035 /nfs/dbraw/zinc/95/70/35/553957035.db2.gz VKINNUVWUPTWEM-DHYKOVJISA-N 0 0 632.738 7.607 50 30 KKEARN CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CC[C@@H](C)C2 ZINC000033358668 553957305 /nfs/dbraw/zinc/95/73/05/553957305.db2.gz RTTAXMQNFSRIGC-LLVKDONJSA-N 0 0 526.474 6.295 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097970684 553957509 /nfs/dbraw/zinc/95/75/09/553957509.db2.gz NYZUGZYVSKDJKD-PMERELPUSA-N 0 0 557.643 6.204 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970685 553957512 /nfs/dbraw/zinc/95/75/12/553957512.db2.gz GHPPAQVVACKCTE-UVDDSOTQSA-N 0 0 579.653 5.463 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970704 553957533 /nfs/dbraw/zinc/95/75/33/553957533.db2.gz UJSDQAAKPRUHAN-MQNRADLISA-N 0 0 562.644 5.558 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970691 553957616 /nfs/dbraw/zinc/95/76/16/553957616.db2.gz FEXZMXFDWHMTQM-XDBZFTIUSA-N 0 0 604.725 6.584 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970732 553957815 /nfs/dbraw/zinc/95/78/15/553957815.db2.gz SOYMKGATFRQZAA-IIMAJNMQSA-N 0 0 556.659 6.007 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970728 553958012 /nfs/dbraw/zinc/95/80/12/553958012.db2.gz QVRWSTINTZPUET-PLTNMMHCSA-N 0 0 628.747 7.235 50 30 KKEARN CCOc1ccc(C(=O)/C=C\C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000033400668 553958681 /nfs/dbraw/zinc/95/86/81/553958681.db2.gz LNPTUCNDPZXBBA-MZCCIGIASA-N 0 0 518.609 7.477 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097970955 553959891 /nfs/dbraw/zinc/95/98/91/553959891.db2.gz DXYCMAVYPSEBEB-PMERELPUSA-N 0 0 540.660 5.183 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097970961 553959925 /nfs/dbraw/zinc/95/99/25/553959925.db2.gz MXPAMLPHAJMDDF-JPZYQRIQSA-N 0 0 555.671 6.409 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000097971032 553960527 /nfs/dbraw/zinc/96/05/27/553960527.db2.gz WODWWEJGNSZMCJ-JGCGQSQUSA-N 0 0 582.741 6.172 50 30 KKEARN CCOc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=O ZINC000097971142 553961123 /nfs/dbraw/zinc/96/11/23/553961123.db2.gz XUTMVNFDQNVVAS-QYAHCHLXSA-N 0 0 536.440 5.396 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000033572591 553962934 /nfs/dbraw/zinc/96/29/34/553962934.db2.gz ORJGEORPOSQHAS-DEDYPNTBSA-N 0 0 514.386 6.115 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000097971849 553963109 /nfs/dbraw/zinc/96/31/09/553963109.db2.gz CVPGLMXPMJIZIW-FIBWVYCGSA-N 0 0 511.618 7.064 50 30 biogenic KKEARN O=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)O/C(=C\Cl)c1ccc(Cl)c(Cl)c1 ZINC000097971822 553963111 /nfs/dbraw/zinc/96/31/11/553963111.db2.gz OTYOJSOJMPKSTA-WMZJFQQLSA-N 0 0 531.547 7.489 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O ZINC000008860528 561708793 /nfs/dbraw/zinc/70/87/93/561708793.db2.gz XPAXRSJGGFVTFM-RUZDIDTESA-O 0 0 538.683 5.782 50 30 in-vitro KKEARN O=C(c1cccc(C#Cc2cccc(-c3ccccc3)c2)c1)c1cccc(C#Cc2cccc(-c3ccccc3)c2)c1 ZINC000097976896 553973029 /nfs/dbraw/zinc/97/30/29/553973029.db2.gz RPERPZVDQOEBKW-UHFFFAOYSA-N 0 0 534.658 9.051 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097977048 553973680 /nfs/dbraw/zinc/97/36/80/553973680.db2.gz NUOVGQMIHMFYQI-QGZVFWFLSA-N 0 0 531.775 6.689 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097977067 553974012 /nfs/dbraw/zinc/97/40/12/553974012.db2.gz HOLRDMUGDOIBSU-KRWDZBQOSA-N 0 0 521.769 7.233 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)cc1 ZINC000097979328 553978078 /nfs/dbraw/zinc/97/80/78/553978078.db2.gz ZNWDOKTWICARTK-DACFSCGWSA-N 0 0 551.521 5.287 50 30 KKEARN CCOc1ccc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)nnc2-c2ccccc2Cl)cc1 ZINC000097979342 553978418 /nfs/dbraw/zinc/97/84/18/553978418.db2.gz SMTGRKCHQYQMJL-UHFFFAOYSA-N 0 0 639.203 5.968 50 30 KKEARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)n2-c2ccccc2C(C)C)cc1 ZINC000097979335 553978422 /nfs/dbraw/zinc/97/84/22/553978422.db2.gz IHYMIFQHVIZEAO-UHFFFAOYSA-N 0 0 616.813 6.348 50 30 KKEARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979489 553979740 /nfs/dbraw/zinc/97/97/40/553979740.db2.gz MCQCDXICMWXIFH-UHFFFAOYSA-N 0 0 596.685 5.194 50 30 KKEARN O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979583 553980555 /nfs/dbraw/zinc/98/05/55/553980555.db2.gz XKAOEKQPZIGFGN-UHFFFAOYSA-N 0 0 597.118 5.663 50 30 KKEARN CCCCCCn1c(SCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(OCC)cc2)CC3(C)C)nc2ccccc2c1=O ZINC000097979561 553980611 /nfs/dbraw/zinc/98/06/11/553980611.db2.gz ZPFYAHZHTFJCBL-CCEZHUSRSA-N 0 0 652.886 8.818 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2 ZINC000097979581 553980633 /nfs/dbraw/zinc/98/06/33/553980633.db2.gz BIUSUPICAVWFQZ-NBVRZTHBSA-N 0 0 539.613 5.779 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C ZINC000034107292 553980653 /nfs/dbraw/zinc/98/06/53/553980653.db2.gz LHYPNDQTFUDNPW-OVVQPSECSA-N 0 0 523.683 6.814 50 30 KKEARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2sccc2C#N)/C(=C/c2cccs2)C1 ZINC000097979642 553981109 /nfs/dbraw/zinc/98/11/09/553981109.db2.gz KRJBJESPZSKXOR-SSUIOBEFSA-N 0 0 541.698 7.174 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC000097979809 553982699 /nfs/dbraw/zinc/98/26/99/553982699.db2.gz USPKJKFAIHTKKH-FOWTUZBSSA-N 0 0 546.385 6.835 50 30 KKEARN Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2[N+](=O)[O-])cc1 ZINC000097981456 553994092 /nfs/dbraw/zinc/99/40/92/553994092.db2.gz GABVIRQCRAFVGR-REZTVBANSA-N 0 0 544.654 7.060 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000097982542 554003427 /nfs/dbraw/zinc/00/34/27/554003427.db2.gz GJCREBZWDSINIB-UHFFFAOYSA-N 0 0 529.691 6.985 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000034782413 554004081 /nfs/dbraw/zinc/00/40/81/554004081.db2.gz HGMGCKIVKNXZGE-GJKZIJEQSA-N 0 0 513.666 5.768 50 30 KKEARN O=[N+]([O-])c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000097983009 554006972 /nfs/dbraw/zinc/00/69/72/554006972.db2.gz NZWOILNFUPOEOT-UHFFFAOYSA-N 0 0 569.167 7.456 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097983042 554007156 /nfs/dbraw/zinc/00/71/56/554007156.db2.gz YGZYEGLFWIWEQC-VWLOTQADSA-N 0 0 643.991 9.810 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(CCCCCC)cc1)C(Cl)(Cl)Cl ZINC000097983049 554007219 /nfs/dbraw/zinc/00/72/19/554007219.db2.gz AAOXIYNWNAOXHF-WJOKGBTCSA-N 0 0 649.257 11.170 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097983058 554007434 /nfs/dbraw/zinc/00/74/34/554007434.db2.gz INUHZFCWJZHTRT-AREMUKBSSA-N 0 0 520.029 9.481 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCCCCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000097983780 554011657 /nfs/dbraw/zinc/01/16/57/554011657.db2.gz ORCVEUYNDWCDRY-KDURUIRLSA-N 0 0 536.767 7.110 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000097984674 554017942 /nfs/dbraw/zinc/01/79/42/554017942.db2.gz LUMZQKMTKWVZBM-SSEXGKCCSA-N 0 0 511.710 8.121 50 30 KKEARN CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864675 554022077 /nfs/dbraw/zinc/02/20/77/554022077.db2.gz VAEZLCHCFUMAGF-NLAXLNGZSA-N 0 0 500.595 6.167 50 30 KKEARN CCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000097997029 554039234 /nfs/dbraw/zinc/03/92/34/554039234.db2.gz PXRBTDRCRUGDFB-NVQSTNCTSA-N 0 0 522.711 6.864 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1)c1cccc(Br)c1 ZINC000097997014 554039287 /nfs/dbraw/zinc/03/92/87/554039287.db2.gz VDMBEPCOKDCFJR-OKCVXOCRSA-N 0 0 623.244 7.832 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(-c5ccc(CCCCCCCC)cc5)cc4)n3)cc2)cc1 ZINC000097997120 554039934 /nfs/dbraw/zinc/03/99/34/554039934.db2.gz SHEMBQFOUNZENN-UHFFFAOYSA-N 0 0 693.976 12.726 50 30 KKEARN CCCCCCCCCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OCCCCCCCCC)cc3)C2)cc1 ZINC000097997786 554040539 /nfs/dbraw/zinc/04/05/39/554040539.db2.gz DKCKUDKCFKAYOK-LGQWSKAFSA-N 0 0 608.911 11.966 50 30 KKEARN CCCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCCCC)c3ccccc3n2)nc2ccccc21 ZINC000097998419 554041442 /nfs/dbraw/zinc/04/14/42/554041442.db2.gz BXHLQROBWNQUNR-UHFFFAOYSA-N 0 0 568.758 9.485 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000035314124 554043154 /nfs/dbraw/zinc/04/31/54/554043154.db2.gz DEIGARZPFBJTQY-UHFFFAOYSA-N 0 0 504.677 5.615 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097999744 554045674 /nfs/dbraw/zinc/04/56/74/554045674.db2.gz KVFGNMQCZMIODP-OIVXELCOSA-N 0 0 649.187 8.637 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999756 554045690 /nfs/dbraw/zinc/04/56/90/554045690.db2.gz IPAUTQWAMCBSTQ-YLZGDECLSA-N 0 0 665.230 9.273 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999834 554046191 /nfs/dbraw/zinc/04/61/91/554046191.db2.gz FQAVNYLSQUPLDZ-XOAACPPSSA-N 0 0 607.150 8.547 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097999961 554047417 /nfs/dbraw/zinc/04/74/17/554047417.db2.gz CXRGNZRJGVFBFL-HUBRWUETSA-N 0 0 625.121 7.589 50 30 KKEARN CCCCCCCCNc1ccc(NC(=O)c2ccc(-c3ccc(CCCCCCCC)cc3)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000098000134 554048778 /nfs/dbraw/zinc/04/87/78/554048778.db2.gz FUXYVAOIGFNZDJ-UHFFFAOYSA-N 0 0 642.884 11.057 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5cccc6ccccc65)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098000282 554049871 /nfs/dbraw/zinc/04/98/71/554049871.db2.gz OXSPPTPQXCQUPB-NDEPHWFRSA-N 0 0 562.626 6.041 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000098000286 554049880 /nfs/dbraw/zinc/04/98/80/554049880.db2.gz HAMHICGBAONEIL-ULKXQASOSA-N 0 0 570.686 6.668 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000098000302 554049905 /nfs/dbraw/zinc/04/99/05/554049905.db2.gz QMERTYJTNFDTKD-AIJWEMPKSA-N 0 0 570.733 8.136 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000098000287 554049913 /nfs/dbraw/zinc/04/99/13/554049913.db2.gz HAMHICGBAONEIL-DHYKOVJISA-N 0 0 570.686 6.668 50 30 KKEARN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000098000317 554050251 /nfs/dbraw/zinc/05/02/51/554050251.db2.gz ZONZGPCOAPCOMI-SLQAJWMNSA-N 0 0 563.868 8.454 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000098000310 554050274 /nfs/dbraw/zinc/05/02/74/554050274.db2.gz KFHIYXQKPYEBNI-WJVKJDHCSA-N 0 0 556.662 6.925 50 30 KKEARN O=C(Nc1ccc(-c2ccc(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)OC(F)(F)F ZINC000098001158 554051625 /nfs/dbraw/zinc/05/16/25/554051625.db2.gz HYXPGALCWLOZFY-UHFFFAOYSA-N 0 0 608.282 6.760 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4c(CC)cccc4CC)sc3c2)cc1 ZINC000098002595 554053667 /nfs/dbraw/zinc/05/36/67/554053667.db2.gz CNMOHRJFJMLSOI-UHFFFAOYSA-N 0 0 631.908 9.924 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NC[C@@H]4CCCO4)sc3c2)cc1 ZINC000098002678 554053965 /nfs/dbraw/zinc/05/39/65/554053965.db2.gz QKTLYZBQSOWUIA-SANMLTNESA-N 0 0 583.820 7.455 50 30 KKEARN CCN=C(Nc1ccc(I)cc1)S[C@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000098003555 554055155 /nfs/dbraw/zinc/05/51/55/554055155.db2.gz WPFSXMZNRBBXEA-INIZCTEOSA-N 0 0 579.794 5.312 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003669 554055805 /nfs/dbraw/zinc/05/58/05/554055805.db2.gz BGHHKUPZFVNSFJ-GNTYDJQKSA-N 0 0 634.748 8.363 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2ccccc2Cl)cc1 ZINC000098003643 554055845 /nfs/dbraw/zinc/05/58/45/554055845.db2.gz XAVGEGVDXFOCSG-RIPCNWKXSA-N 0 0 625.121 7.589 50 30 KKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@@H](Cc1ccccc1)C(=O)OC ZINC000035494238 554056771 /nfs/dbraw/zinc/05/67/71/554056771.db2.gz VBZABTLPKKERQO-ZMHNBWSVSA-N 0 0 521.698 6.038 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@H]2c1ccccc1Cl ZINC000098006276 554061093 /nfs/dbraw/zinc/06/10/93/554061093.db2.gz VSPNXDNFZUPSHE-SFHVURJKSA-N 0 0 578.081 7.666 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000098006311 554061131 /nfs/dbraw/zinc/06/11/31/554061131.db2.gz WMGQHRFGQHSOMQ-SFHVURJKSA-N 0 0 528.074 6.787 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007870 554064744 /nfs/dbraw/zinc/06/47/44/554064744.db2.gz BAGMIDNHTXPJLG-WOVHNISZSA-N 0 0 584.572 6.386 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008118 554066255 /nfs/dbraw/zinc/06/62/55/554066255.db2.gz CYJRWCWVWDZWNL-VKIDHGPPSA-N 0 0 583.584 6.206 50 30 KKEARN N#Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000035724577 554067854 /nfs/dbraw/zinc/06/78/54/554067854.db2.gz ZEQGZJFPWWSSBQ-NRFANRHFSA-N 0 0 502.987 5.102 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Br)cc2)no1)C(=O)CCCCCC ZINC000035745032 554070094 /nfs/dbraw/zinc/07/00/94/554070094.db2.gz QUDMNMLWXOYJSU-NRFANRHFSA-N 0 0 517.468 5.538 50 30 KKEARN C=CCn1c(SCCC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000098009730 554070789 /nfs/dbraw/zinc/07/07/89/554070789.db2.gz RLIMJCUWVLZUNS-KRWDZBQOSA-N 0 0 628.241 7.448 50 30 KKEARN COc1cccc(-c2cc(/C(C)=N\OCc3cccc(C(F)(F)F)c3)c(C)n2-c2cccc(Cl)c2)c1 ZINC000035843417 554081952 /nfs/dbraw/zinc/08/19/52/554081952.db2.gz TYTYPVCGYSNSGY-OHUYPAJKSA-N 0 0 512.959 8.074 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(c3ccccc3F)CC1)n2Cc1cccc(Cl)c1 ZINC000035908448 554092933 /nfs/dbraw/zinc/09/29/33/554092933.db2.gz KUORDVIZASDARC-UHFFFAOYSA-N 0 0 504.005 6.009 50 30 KKEARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4C#N)cccn3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035911414 554094865 /nfs/dbraw/zinc/09/48/65/554094865.db2.gz IMZUQYPIUVOJOT-UHFFFAOYSA-N 0 0 516.388 5.922 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)n2Cc1ccc(C)cc1 ZINC000035927708 554101106 /nfs/dbraw/zinc/10/11/06/554101106.db2.gz RJTFBNHNGONLEX-UHFFFAOYSA-N 0 0 523.633 5.250 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)CC(C)C ZINC000098016896 554104475 /nfs/dbraw/zinc/10/44/75/554104475.db2.gz NAOORLHTZUJGQJ-UHFFFAOYSA-N 0 0 506.666 6.852 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000098017763 554110256 /nfs/dbraw/zinc/11/02/56/554110256.db2.gz VEJQNBZFLDNENX-XMMPIXPASA-N 0 0 555.936 6.059 50 30 KKEARN COc1ccc(CCN(Cc2cccs2)C(=O)CN(CC(C)C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000098017993 554111625 /nfs/dbraw/zinc/11/16/25/554111625.db2.gz WIUSIGABSFGPHF-UHFFFAOYSA-N 0 0 534.682 5.398 50 30 KKEARN CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1ccc(C#N)cc1 ZINC000098019497 554112762 /nfs/dbraw/zinc/11/27/62/554112762.db2.gz NJKQAVFIEWIBAP-UHFFFAOYSA-N 0 0 578.735 5.477 50 30 KKEARN O=C(NCc1cccc(C(F)(F)F)c1)c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1 ZINC000098019631 554113483 /nfs/dbraw/zinc/11/34/83/554113483.db2.gz HJEOLABCMANOFI-UHFFFAOYSA-N 0 0 581.557 7.452 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1ccc(Br)cc1 ZINC000098019744 554114437 /nfs/dbraw/zinc/11/44/37/554114437.db2.gz NFWYMJGWOFWPPD-UHFFFAOYSA-N 0 0 578.438 5.944 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000035973777 554114928 /nfs/dbraw/zinc/11/49/28/554114928.db2.gz UOTNZHGSFWZXOM-OKKIPLHTSA-N 0 0 505.611 5.416 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1ccc(OCC)cc1 ZINC000098019905 554115300 /nfs/dbraw/zinc/11/53/00/554115300.db2.gz SFBHYMKFEWLFAG-UHFFFAOYSA-N 0 0 539.632 5.749 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)COc1ccc(Cl)cc1 ZINC000098019987 554115973 /nfs/dbraw/zinc/11/59/73/554115973.db2.gz NAVKLWDWJRVNEN-UHFFFAOYSA-N 0 0 609.462 5.451 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000098043452 554127417 /nfs/dbraw/zinc/12/74/17/554127417.db2.gz BZTBNYMHJDLMEE-UHFFFAOYSA-N 0 0 550.673 6.172 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098044787 554129725 /nfs/dbraw/zinc/12/97/25/554129725.db2.gz VEFVRZXZTMQWTN-OCKRADGESA-N 0 0 571.721 7.756 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098044785 554129745 /nfs/dbraw/zinc/12/97/45/554129745.db2.gz VEFVRZXZTMQWTN-GOOPYHEFSA-N 0 0 571.721 7.756 50 30 KKEARN CC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000098044775 554129783 /nfs/dbraw/zinc/12/97/83/554129783.db2.gz JIRCDYQYBAAUKL-DFXYEROKSA-N 0 0 533.499 8.211 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000098045014 554130292 /nfs/dbraw/zinc/13/02/92/554130292.db2.gz VCLFCRQKXIGSCR-XHCCPWGMSA-N 0 0 539.985 6.869 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000098045013 554130300 /nfs/dbraw/zinc/13/03/00/554130300.db2.gz VCLFCRQKXIGSCR-PPHZAIPVSA-N 0 0 539.985 6.869 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(-c2nnc(C3CCC(c4ccccc4)CC3)o2)cc1 ZINC000098045094 554130656 /nfs/dbraw/zinc/13/06/56/554130656.db2.gz MOZKYHIZGLKPBC-UHFFFAOYSA-N 0 0 544.824 11.038 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000098045112 554130690 /nfs/dbraw/zinc/13/06/90/554130690.db2.gz WLXUQGHDYHDFMU-JIYROHSKSA-N 0 0 569.488 8.216 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000098045104 554130693 /nfs/dbraw/zinc/13/06/93/554130693.db2.gz OCCIWBOBEZQMLM-WKRVVKTRSA-N 0 0 539.462 8.204 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000036006943 554131911 /nfs/dbraw/zinc/13/19/11/554131911.db2.gz BCVPMQSGIUGYGQ-YWCVFVGNSA-N 0 0 513.391 5.508 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000098045532 554132121 /nfs/dbraw/zinc/13/21/21/554132121.db2.gz RFSHKVGKTAATEB-OGPYBGEISA-N 0 0 662.545 8.764 50 30 KKEARN C#CCOc1ccc(Br)cc1[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000098045860 554134052 /nfs/dbraw/zinc/13/40/52/554134052.db2.gz WCYLRPHNVCFFLM-LJAQVGFWSA-N 0 0 661.350 6.714 50 30 KKEARN COc1ccc(OCc2ccc([C@H]3C(C(=O)Nc4ccc(Br)cn4)=C(C)NC4=C3C(=O)CCC4)o2)cc1 ZINC000098045892 554134450 /nfs/dbraw/zinc/13/44/50/554134450.db2.gz MWWCISIVUHCRNW-MHZLTWQESA-N 0 0 564.436 5.631 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1 ZINC000098046339 554138014 /nfs/dbraw/zinc/13/80/14/554138014.db2.gz ZSMGAXPEWLOZPV-UHFFFAOYSA-N 0 0 583.729 7.022 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046373 554138298 /nfs/dbraw/zinc/13/82/98/554138298.db2.gz BBBLJAZAPVRFCV-SANMLTNESA-N 0 0 554.624 6.025 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046575 554141097 /nfs/dbraw/zinc/14/10/97/554141097.db2.gz ZRZCCCZISWHQBN-AFJIDDCJSA-N 0 0 542.632 5.761 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000098046668 554142297 /nfs/dbraw/zinc/14/22/97/554142297.db2.gz NDZRBTZSUMVPGL-PMERELPUSA-N 0 0 540.660 5.183 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046681 554142457 /nfs/dbraw/zinc/14/24/57/554142457.db2.gz VGXSYUZFQVISCA-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046703 554142725 /nfs/dbraw/zinc/14/27/25/554142725.db2.gz HTTHFQXPMGCBCQ-PGUFJCEWSA-N 0 0 596.683 7.327 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)n2)ccc1OCCC(C)C ZINC000098046911 554145024 /nfs/dbraw/zinc/14/50/24/554145024.db2.gz WFIJYRDNRHSMNN-UHFFFAOYSA-N 0 0 548.030 7.757 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 ZINC000098047063 554146338 /nfs/dbraw/zinc/14/63/38/554146338.db2.gz DLZDOFVAYVOOAD-UHFFFAOYSA-N 0 0 553.659 6.021 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047299 554148880 /nfs/dbraw/zinc/14/88/80/554148880.db2.gz VRLZYWIMDAVORX-GDLZYMKVSA-N 0 0 553.615 5.148 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047685 554154469 /nfs/dbraw/zinc/15/44/69/554154469.db2.gz IWDVMCHFAOYJCV-JOCHJYFZSA-N 0 0 536.850 5.895 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)C(=O)c1cccc(OC)c1 ZINC000036049633 554155662 /nfs/dbraw/zinc/15/56/62/554155662.db2.gz CNJBFDPJWGWCHK-UHFFFAOYSA-N 0 0 500.986 5.468 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000036049687 554156008 /nfs/dbraw/zinc/15/60/08/554156008.db2.gz RLDVHIJRSRIPJW-UHFFFAOYSA-N 0 0 506.940 5.738 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1Cl ZINC000036051465 554157107 /nfs/dbraw/zinc/15/71/07/554157107.db2.gz WGKKMGZTZHPPSK-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047988 554158330 /nfs/dbraw/zinc/15/83/30/554158330.db2.gz WJVDFKQPGOFNKY-OYLFLEFRSA-N 0 0 530.602 5.325 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4c(c(C)c3)O[C@@H](C)C4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048019 554158918 /nfs/dbraw/zinc/15/89/18/554158918.db2.gz PZIYUYFIQCJPPT-ICACTRECSA-N 0 0 632.738 7.607 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048051 554159145 /nfs/dbraw/zinc/15/91/45/554159145.db2.gz GSRJQQLWQPBHII-ODCWNRFASA-N 0 0 530.577 5.940 50 30 KKEARN O=C(Nc1cccc(Oc2c(F)c(F)c(Oc3cccc(NC(=O)C(F)(F)F)c3)c(F)c2F)c1)C(F)(F)F ZINC000098048819 554161809 /nfs/dbraw/zinc/16/18/09/554161809.db2.gz MVLUFHGCXMFFLU-UHFFFAOYSA-N 0 0 556.312 6.829 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000098049080 554163010 /nfs/dbraw/zinc/16/30/10/554163010.db2.gz ZKKKFGPULCKZAE-DEOSSOPVSA-N 0 0 533.650 5.565 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000098049101 554163281 /nfs/dbraw/zinc/16/32/81/554163281.db2.gz ABHIDSGQJMLXND-LYZGTLIUSA-N 0 0 548.630 7.428 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000098050116 554172323 /nfs/dbraw/zinc/17/23/23/554172323.db2.gz ZWIXJOZZKZNJEL-NDEPHWFRSA-N 0 0 583.641 5.902 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)c1 ZINC000098050129 554172361 /nfs/dbraw/zinc/17/23/61/554172361.db2.gz KUFHBLRKERBBLW-GDLZYMKVSA-N 0 0 598.696 6.030 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C(C(=O)CCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098050121 554172392 /nfs/dbraw/zinc/17/23/92/554172392.db2.gz DNGZNMUCYUBHJI-MUUNZHRXSA-N 0 0 599.640 5.602 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc(OC)ccc3OC)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050119 554172396 /nfs/dbraw/zinc/17/23/96/554172396.db2.gz FSKDRJWDQJYJQR-GDLZYMKVSA-N 0 0 582.653 5.741 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000098050151 554172622 /nfs/dbraw/zinc/17/26/22/554172622.db2.gz GWZIUTNHKDLYIB-XBBWARJSSA-N 0 0 526.430 7.384 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000098050604 554175505 /nfs/dbraw/zinc/17/55/05/554175505.db2.gz BLBSDZHGUHNBHE-JGCGQSQUSA-N 0 0 567.682 6.500 50 30 KKEARN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000100007993 554179326 /nfs/dbraw/zinc/17/93/26/554179326.db2.gz DUOFAQPHVVETAB-UHFFFAOYSA-N 0 0 516.179 6.306 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1C ZINC000036117135 554184204 /nfs/dbraw/zinc/18/42/04/554184204.db2.gz XQRVKLFMLWDVTA-MHZLTWQESA-N 0 0 502.680 6.013 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)Cc1ccccc1 ZINC000036117132 554184218 /nfs/dbraw/zinc/18/42/18/554184218.db2.gz HGJQVAJTSNUHAX-MHZLTWQESA-N 0 0 502.680 5.634 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(I)cc3)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000100032663 554186844 /nfs/dbraw/zinc/18/68/44/554186844.db2.gz ODDIOCYLAFUZBZ-FDAWAROLSA-N 0 0 607.400 6.497 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5cccc(I)c5)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000100042564 554192624 /nfs/dbraw/zinc/19/26/24/554192624.db2.gz FSBIUZFMOPSNSQ-RWPZCVJISA-N 0 0 606.332 7.459 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000100045849 554193546 /nfs/dbraw/zinc/19/35/46/554193546.db2.gz HPWPTXMMPBCRFQ-WPRPVWTQSA-N 0 0 568.183 6.892 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1 ZINC000036122396 554193855 /nfs/dbraw/zinc/19/38/55/554193855.db2.gz SKQLRRHUFRLGAM-XMMPIXPASA-N 0 0 526.058 5.635 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1 ZINC000036122614 554194352 /nfs/dbraw/zinc/19/43/52/554194352.db2.gz DYMTVDAMEDHDBK-XMMPIXPASA-N 0 0 524.086 6.243 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3cc(Cl)ccc3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100056744 554196531 /nfs/dbraw/zinc/19/65/31/554196531.db2.gz YSRHQZKTSOLZAU-CPDSRJINSA-N 0 0 544.057 8.036 50 30 KKEARN C=CCOc1c(I)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1I ZINC000100058666 554197354 /nfs/dbraw/zinc/19/73/54/554197354.db2.gz WIVDDYWPDDWNCH-FOKLQQMPSA-N 0 0 574.225 6.023 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000100060006 554197933 /nfs/dbraw/zinc/19/79/33/554197933.db2.gz UWPABDBSYCOIIQ-DUJLAHKJSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(Br)c3)c3ccccc32)cc1 ZINC000100060787 554198234 /nfs/dbraw/zinc/19/82/34/554198234.db2.gz QNNKLGKXXUDCHC-DPJLDFPASA-N 0 0 563.451 6.411 50 30 KKEARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1ccc(Cl)cc1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164232 554199734 /nfs/dbraw/zinc/19/97/34/554199734.db2.gz HTPAMJPIAKTTJU-AREMUKBSSA-N 0 0 504.999 5.201 50 30 KKEARN CCOc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1OCc1ccc(Cl)cc1Cl ZINC000100067868 554200402 /nfs/dbraw/zinc/20/04/02/554200402.db2.gz JWPBXCZMXUPPAW-WMQZSVIDSA-N 0 0 555.277 7.992 50 30 KKEARN CCN1C(=O)/C(=C\C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)S/C1=N/c1ccc2nc(C)sc2c1 ZINC000100071412 554201678 /nfs/dbraw/zinc/20/16/78/554201678.db2.gz LZWMYKZONRYSIH-UZLFVAQRSA-N 0 0 550.753 8.050 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100071491 554201725 /nfs/dbraw/zinc/20/17/25/554201725.db2.gz ABJDNVAWLOJZLK-VCBLFWRGSA-N 0 0 570.714 8.622 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100074905 554203798 /nfs/dbraw/zinc/20/37/98/554203798.db2.gz GPFRFLGWHFUUDF-FWJYUGCASA-N 0 0 502.611 6.960 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100076401 554204469 /nfs/dbraw/zinc/20/44/69/554204469.db2.gz BOSCIYXSYUMTRP-QYBDOPJKSA-N 0 0 570.480 5.875 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000100076627 554204520 /nfs/dbraw/zinc/20/45/20/554204520.db2.gz CIZHBHLDOQFAAS-AVRWGWEMSA-N 0 0 540.454 5.868 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100076639 554204541 /nfs/dbraw/zinc/20/45/41/554204541.db2.gz RDNRFMJRXXIZHQ-UKJJDJLKSA-N 0 0 553.655 5.947 50 30 biogenic,in-vitro KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000100077290 554205160 /nfs/dbraw/zinc/20/51/60/554205160.db2.gz SKBANHKKGIJHRC-QUGAMOGWSA-N 0 0 528.432 6.427 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000100078087 554205530 /nfs/dbraw/zinc/20/55/30/554205530.db2.gz QAITUAFBLRIOCC-CLYVBNDRSA-N 0 0 568.464 5.747 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100079616 554206070 /nfs/dbraw/zinc/20/60/70/554206070.db2.gz AZFAUORCPLFXHF-WINIVTDRSA-N 0 0 566.492 6.401 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100079944 554206428 /nfs/dbraw/zinc/20/64/28/554206428.db2.gz PJIHGRNVAHJACS-IPBJYNAHSA-N 0 0 559.659 5.867 50 30 KKEARN CN=C(Nc1ccc(Cl)c(C(F)(F)F)c1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000100084188 554208151 /nfs/dbraw/zinc/20/81/51/554208151.db2.gz KAPRPLIPWZJDFR-HNNXBMFYSA-N 0 0 510.752 5.938 50 30 KKEARN O=C1C[C@H](SC(=NCCc2ccccc2)Nc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100090242 554210749 /nfs/dbraw/zinc/21/07/49/554210749.db2.gz PYQVPCOTFKVVQM-QFIPXVFZSA-N 0 0 582.431 6.777 50 30 KKEARN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302216 554211918 /nfs/dbraw/zinc/21/19/18/554211918.db2.gz AIEVBJOHESDJOV-HHHXNRCGSA-N 0 0 515.629 6.450 50 30 KKEARN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302219 554212408 /nfs/dbraw/zinc/21/24/08/554212408.db2.gz AIEVBJOHESDJOV-MHZLTWQESA-N 0 0 515.629 6.450 50 30 KKEARN Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000100103729 554220301 /nfs/dbraw/zinc/22/03/01/554220301.db2.gz FVJXNJBDXYAGKR-KBVAKVRCSA-N 0 0 533.853 7.710 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N\c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100107059 554220737 /nfs/dbraw/zinc/22/07/37/554220737.db2.gz SAGHTXZDHWQVRL-PUFROYNTSA-N 0 0 588.032 5.844 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000100110002 554221072 /nfs/dbraw/zinc/22/10/72/554221072.db2.gz DAYVAWMIUVUNQJ-UHTZCKFUSA-N 0 0 610.754 8.385 50 30 KKEARN CCOc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OCC ZINC000100112530 554222269 /nfs/dbraw/zinc/22/22/69/554222269.db2.gz AROLHOIOZJMNIW-SBBHXBDOSA-N 0 0 570.086 6.480 50 30 KKEARN CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(C)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100119213 554224118 /nfs/dbraw/zinc/22/41/18/554224118.db2.gz UKOLKPOFSMCTLU-YWFCIECYSA-N 0 0 503.624 5.957 50 30 KKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100139568 554227346 /nfs/dbraw/zinc/22/73/46/554227346.db2.gz URTDJWMAWZTAIX-MHZLTWQESA-N 0 0 534.700 7.348 50 30 biogenic,in-vitro KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000100142033 554228249 /nfs/dbraw/zinc/22/82/49/554228249.db2.gz LVYWWXMWWHDMLL-GRMGDBHTSA-N 0 0 540.619 7.656 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142359 554228543 /nfs/dbraw/zinc/22/85/43/554228543.db2.gz WUCUPKGLHBYTDQ-CALDVZBHSA-N 0 0 549.624 5.214 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142409 554228564 /nfs/dbraw/zinc/22/85/64/554228564.db2.gz VJGCNQDRQGPRAU-GKYGOBIMSA-N 0 0 600.524 6.382 50 30 KKEARN CC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)Nc2ccc(Br)cc2)C1=O ZINC000100142839 554229125 /nfs/dbraw/zinc/22/91/25/554229125.db2.gz IZCNFTLLMPNXBF-UMSHPIDHSA-N 0 0 534.248 5.721 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100144671 554230011 /nfs/dbraw/zinc/23/00/11/554230011.db2.gz COQMSMNEFKXEOR-PYMNRZMWSA-N 0 0 591.686 5.440 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100144537 554230024 /nfs/dbraw/zinc/23/00/24/554230024.db2.gz OANZZQVRFALXDM-FZWCJVCJSA-N 0 0 538.069 5.950 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100151887 554231807 /nfs/dbraw/zinc/23/18/07/554231807.db2.gz JJFWISUYQXZGBM-AYRHNUGRSA-N 0 0 605.613 5.628 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158178 554233442 /nfs/dbraw/zinc/23/34/42/554233442.db2.gz UWJOIWMHWFMGHW-PZUNEJSGSA-N 0 0 577.464 5.740 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158158 554233454 /nfs/dbraw/zinc/23/34/54/554233454.db2.gz SMIBKTSINAPKCD-ZKMPZPQNSA-N 0 0 543.019 5.087 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158189 554233482 /nfs/dbraw/zinc/23/34/82/554233482.db2.gz WRMQONJDHZPYRJ-PZUNEJSGSA-N 0 0 561.009 5.226 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000100160502 554234642 /nfs/dbraw/zinc/23/46/42/554234642.db2.gz SFZAADYGRHRXBF-UCGXPXSYSA-N 0 0 624.587 5.600 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000100160475 554234671 /nfs/dbraw/zinc/23/46/71/554234671.db2.gz LIVYZLWPRDTFGB-GVXSCFBNSA-N 0 0 594.561 5.592 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccccc2)cc1 ZINC000100161465 554234958 /nfs/dbraw/zinc/23/49/58/554234958.db2.gz FNTVYQMLXZNHKR-SUYRBLAESA-N 0 0 536.053 5.720 50 30 KKEARN CCOc1ccc(CC(=O)C2=C(NCCc3ccc(OC)c(OC)c3)CC(C)(C)CC2=O)cc1OCC ZINC000100162365 554235174 /nfs/dbraw/zinc/23/51/74/554235174.db2.gz UNICNKQOQJHTTK-UHFFFAOYSA-N 0 0 509.643 5.088 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccccc4C(F)(F)F)C(=O)O3)cc2)cc1 ZINC000100166045 554236448 /nfs/dbraw/zinc/23/64/48/554236448.db2.gz GWILJJFEJDGYMV-HFTWOUSFSA-N 0 0 505.580 8.620 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C ZINC000100165511 554236525 /nfs/dbraw/zinc/23/65/25/554236525.db2.gz LZJJHYYMFSRZPM-RRCMWTIGSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCCCC/C(=N\N=C(/CCCCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000100166567 554236823 /nfs/dbraw/zinc/23/68/23/554236823.db2.gz UVAPCEFVPHTWPI-HVMBLDELSA-N 0 0 576.910 11.739 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1 ZINC000100167105 554237068 /nfs/dbraw/zinc/23/70/68/554237068.db2.gz MMRUSNJAGRWIDJ-PHSKOSPPSA-N 0 0 529.765 9.146 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000100167093 554237105 /nfs/dbraw/zinc/23/71/05/554237105.db2.gz HSRGWNFPPGUEEY-QOMYSUPASA-N 0 0 543.792 9.454 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N=NC(C)c2ccc(OC)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000100167112 554237372 /nfs/dbraw/zinc/23/73/72/554237372.db2.gz DBKBZGPNKYCCRX-BCJTWVECSA-N 0 0 552.764 6.749 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100171907 554238508 /nfs/dbraw/zinc/23/85/08/554238508.db2.gz GPVHZZXSRMWFEX-PNTFMKQHSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100171902 554238562 /nfs/dbraw/zinc/23/85/62/554238562.db2.gz HKTMCKJJLZKGFK-BTZRARBUSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172955 554239325 /nfs/dbraw/zinc/23/93/25/554239325.db2.gz RILZZGVHNQZOGO-RRWZXMNXSA-N 0 0 609.119 6.376 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000100173290 554239539 /nfs/dbraw/zinc/23/95/39/554239539.db2.gz UYEFHYISIRHKQF-NKXPPVTBSA-N 0 0 624.203 7.519 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100173582 554239632 /nfs/dbraw/zinc/23/96/32/554239632.db2.gz HLLYFCGFGSITMT-YZMCFSJESA-N 0 0 597.703 7.868 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100173923 554239856 /nfs/dbraw/zinc/23/98/56/554239856.db2.gz BLAGDICEMAUITJ-DCEDVJGZSA-N 0 0 578.637 5.554 50 30 KKEARN CCCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 ZINC000100174423 554240146 /nfs/dbraw/zinc/24/01/46/554240146.db2.gz MEUVEOHMCOYJBZ-YCNYHXFESA-N 0 0 527.625 5.411 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100174557 554240149 /nfs/dbraw/zinc/24/01/49/554240149.db2.gz PETXMXIXQPSQJR-AYCKEJKLSA-N 0 0 596.627 5.693 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100179343 554241477 /nfs/dbraw/zinc/24/14/77/554241477.db2.gz SUPOTKFPUMDACT-KWOQKUFVSA-N 0 0 582.600 5.514 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100204172 554247684 /nfs/dbraw/zinc/24/76/84/554247684.db2.gz DGBSMERGPNOABO-KEBDBYFISA-N 0 0 561.359 6.502 50 30 KKEARN COCc1cc(C)nc2sc(/C(=N/N=C(/c3sc4nc(C)cc(COC)c4c3N)c3ccccc3)c3ccccc3)c(N)c21 ZINC000100206368 554248122 /nfs/dbraw/zinc/24/81/22/554248122.db2.gz BURPEBOHWZXGRF-NXRKLTDKSA-N 0 0 620.804 7.270 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000100212880 554249618 /nfs/dbraw/zinc/24/96/18/554249618.db2.gz URKXBCZEJWNGBH-SRZZPIQSSA-N 0 0 530.389 6.381 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000100215763 554250080 /nfs/dbraw/zinc/25/00/80/554250080.db2.gz WCDDWXOCFUNKSX-DEOSSOPVSA-N 0 0 550.836 6.423 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000100215429 554250089 /nfs/dbraw/zinc/25/00/89/554250089.db2.gz PBJDNQQNVOGWFH-XMMPIXPASA-N 0 0 534.381 5.909 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Br)c1OCc1ccccc1 ZINC000100215780 554250248 /nfs/dbraw/zinc/25/02/48/554250248.db2.gz PGDYFEWJRFZBDO-RUZDIDTESA-N 0 0 560.444 6.168 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217061 554250739 /nfs/dbraw/zinc/25/07/39/554250739.db2.gz RBOZRIITJWRWLM-XMWFGAJLSA-N 0 0 552.052 5.686 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217565 554251219 /nfs/dbraw/zinc/25/12/19/554251219.db2.gz XCTLKRGESUWMKZ-XMWFGAJLSA-N 0 0 536.053 5.720 50 30 KKEARN CCOc1c(Br)cc(/C=C2/CCC/C(=C/c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1OC ZINC000100220210 554251754 /nfs/dbraw/zinc/25/17/54/554251754.db2.gz KYLDHNXMQXRJSM-BJPQZVBLSA-N 0 0 580.313 7.246 50 30 KKEARN CCCCCCCc1ccc(-c2cn3c(nc4c3c(=O)n(C)c(=O)n4C)n2-c2ccc(C(=O)OCC)cc2)cc1 ZINC000100225041 554252739 /nfs/dbraw/zinc/25/27/39/554252739.db2.gz GDMYQCHFHVPIEH-UHFFFAOYSA-N 0 0 541.652 5.032 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(C)cc2)N(C(=O)C2CCCC2)CC3)n1 ZINC000037602754 554254433 /nfs/dbraw/zinc/25/44/33/554254433.db2.gz BTITVYNFQLZTPI-NDEPHWFRSA-N 0 0 515.679 5.611 50 30 KKEARN COc1cccc(C(=O)NC(C2=C(NCc3ccccc3)CC(C)(C)CC2=O)(C(F)(F)F)C(F)(F)F)c1 ZINC000100229255 554254683 /nfs/dbraw/zinc/25/46/83/554254683.db2.gz FJPDAWLLLMUEMU-UHFFFAOYSA-N 0 0 528.493 5.721 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000100230047 554255572 /nfs/dbraw/zinc/25/55/72/554255572.db2.gz SLYQRLIFNKPAHB-XOBNHNQQSA-N 0 0 580.313 7.246 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000100230050 554255694 /nfs/dbraw/zinc/25/56/94/554255694.db2.gz ZDLLCKVMXQWJKT-JOCHJYFZSA-N 0 0 547.382 5.263 50 30 KKEARN N#Cc1c(N)nc2c(c1N)[C@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2c1cccc2ccccc21 ZINC000100249046 554261962 /nfs/dbraw/zinc/26/19/62/554261962.db2.gz KJSADDJCTTZRPW-XMMPIXPASA-N 0 0 536.433 6.324 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100249278 554262027 /nfs/dbraw/zinc/26/20/27/554262027.db2.gz WBJBEEPFEYGHFF-FKMACVBZSA-N 0 0 563.676 5.314 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000100266893 554267133 /nfs/dbraw/zinc/26/71/33/554267133.db2.gz SCYRBZBHBDHLEP-HUONIXKVSA-N 0 0 617.127 6.519 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000038154830 554273671 /nfs/dbraw/zinc/27/36/71/554273671.db2.gz QWNWUENDWKKSML-POTDNYQPSA-N 0 0 543.406 5.371 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000100281338 554277027 /nfs/dbraw/zinc/27/70/27/554277027.db2.gz DKLWRXHSLOHRIX-RNMHXKJMSA-N 0 0 540.016 5.469 50 30 KKEARN COc1cccc(/C=N/[C@@H]2c3cccc(OC)c3O[C@@]3(/N=C/c4cccc(OC)c4O)CCCC[C@H]23)c1O ZINC000039409965 554279374 /nfs/dbraw/zinc/27/93/74/554279374.db2.gz PJHYABLKYRVMMW-QEBRZKKNSA-N 0 0 516.594 5.682 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)cc1OC ZINC000100302883 554291924 /nfs/dbraw/zinc/29/19/24/554291924.db2.gz MSUDICAHFRGZSR-RARRKCLYSA-N 0 0 567.379 5.491 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2cccc(Cl)c2)cc1OC ZINC000100307588 554296110 /nfs/dbraw/zinc/29/61/10/554296110.db2.gz KBHSKCDMSCTWKD-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307924 554296391 /nfs/dbraw/zinc/29/63/91/554296391.db2.gz QMHFEKLZFOXFHI-LVGDFUMNSA-N 0 0 552.096 5.280 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307778 554296426 /nfs/dbraw/zinc/29/64/26/554296426.db2.gz IQRDJRYOISZRRH-BWUCGBNQSA-N 0 0 558.487 6.214 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043215103 554298359 /nfs/dbraw/zinc/29/83/59/554298359.db2.gz JAJLKEVKNDUJBG-UHFFFAOYSA-N 0 0 521.064 6.660 50 30 in-man KKEARN CC(C)=CC[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000044361207 554301817 /nfs/dbraw/zinc/30/18/17/554301817.db2.gz KXTNVBQRLRYVCO-LPSZMIQCSA-N 0 0 602.812 8.589 50 30 endogenous,in-man KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4Cl)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000049771674 554325607 /nfs/dbraw/zinc/32/56/07/554325607.db2.gz HIDBFCAYHFMHLE-WOPWWUTRSA-N 0 0 579.115 8.991 50 30 KKEARN O=C(/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]12)COc1cccc(C(F)(F)F)c1 ZINC000100342165 554327017 /nfs/dbraw/zinc/32/70/17/554327017.db2.gz FLEHAOYBYPJWKG-UAJVDIFFSA-N 0 0 550.529 6.054 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)c1CCC#N ZINC000050861244 554328103 /nfs/dbraw/zinc/32/81/03/554328103.db2.gz SABZDWWUCLDGFU-WJOKGBTCSA-N 0 0 545.090 6.689 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000053262024 554330553 /nfs/dbraw/zinc/33/05/53/554330553.db2.gz SJBYNNBZRQSUQG-OHWKKVTOSA-N 0 0 562.666 7.271 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000053262141 554330604 /nfs/dbraw/zinc/33/06/04/554330604.db2.gz FCQMRHTYXCHRAB-GRMGDBHTSA-N 0 0 589.607 9.772 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053290120 554331269 /nfs/dbraw/zinc/33/12/69/554331269.db2.gz VHKCEKPJQVWBGW-QHCPKHFHSA-N 0 0 549.446 6.467 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053292009 554332339 /nfs/dbraw/zinc/33/23/39/554332339.db2.gz JWWFPGWIWROWTQ-AREMUKBSSA-N 0 0 542.657 6.784 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053292118 554332356 /nfs/dbraw/zinc/33/23/56/554332356.db2.gz XUWNUVHMNCPFGH-MHZLTWQESA-N 0 0 572.639 5.875 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053292185 554332389 /nfs/dbraw/zinc/33/23/89/554332389.db2.gz YTAGSVRILBNVHR-QFIPXVFZSA-N 0 0 519.420 6.459 50 30 KKEARN CCCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000053305926 554333106 /nfs/dbraw/zinc/33/31/06/554333106.db2.gz ZBTVEZAYTNGJOI-AFJIDDCJSA-N 0 0 550.577 6.947 50 30 KKEARN CCCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000053305932 554333208 /nfs/dbraw/zinc/33/32/08/554333208.db2.gz ZBTVEZAYTNGJOI-ACSYHNTCSA-N 0 0 550.577 6.947 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306636 554334198 /nfs/dbraw/zinc/33/41/98/554334198.db2.gz ZKBUUTKCEJIAQT-HXUWFJFHSA-N 0 0 525.449 6.520 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053307021 554334823 /nfs/dbraw/zinc/33/48/23/554334823.db2.gz ZWCUKDWTKZHKFP-SANMLTNESA-N 0 0 558.612 5.566 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccccc1O[C@@H](C)CC ZINC000053307612 554335193 /nfs/dbraw/zinc/33/51/93/554335193.db2.gz OPQAWJZBDQKYQD-WTQODHIZSA-N 0 0 554.687 7.192 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000053307673 554335592 /nfs/dbraw/zinc/33/55/92/554335592.db2.gz GYBOOIGZHWCERQ-HXUWFJFHSA-N 0 0 545.231 5.077 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000053319188 554336624 /nfs/dbraw/zinc/33/66/24/554336624.db2.gz UAUPIITZAUFBIS-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000053319353 554337451 /nfs/dbraw/zinc/33/74/51/554337451.db2.gz INADFJDIUCLMBE-WMELESEDSA-N 0 0 568.733 8.876 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000053319480 554338244 /nfs/dbraw/zinc/33/82/44/554338244.db2.gz ZMDCQHHISBEVJV-URAOTHONSA-N 0 0 532.596 5.763 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053319461 554338358 /nfs/dbraw/zinc/33/83/58/554338358.db2.gz ZZYNOWAOCKRHJY-YQPGIBNTSA-N 0 0 581.112 8.306 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000053319522 554338631 /nfs/dbraw/zinc/33/86/31/554338631.db2.gz XWMHSTMHZLKCHB-HGGZLQRRSA-N 0 0 593.123 8.238 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053332809 554338974 /nfs/dbraw/zinc/33/89/74/554338974.db2.gz PHIHAWPJGVEINL-IJAHGLKVSA-N 0 0 565.113 8.606 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053333097 554339406 /nfs/dbraw/zinc/33/94/06/554339406.db2.gz OLPMHUOXIYCYMM-ADSBAMQRSA-N 0 0 590.657 7.204 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000053333659 554339879 /nfs/dbraw/zinc/33/98/79/554339879.db2.gz GEMYNIOBWZXKIL-AREMUKBSSA-N 0 0 544.629 6.030 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053333763 554339931 /nfs/dbraw/zinc/33/99/31/554339931.db2.gz VLSDSOWSMUFISA-ACSYHNTCSA-N 0 0 568.695 7.198 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053335326 554340929 /nfs/dbraw/zinc/34/09/29/554340929.db2.gz LCJYVBRZRSVTIK-DXPJPUQTSA-N 0 0 528.605 6.665 50 30 KKEARN CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1OCc1ccc(Cl)cc1 ZINC000053335658 554340955 /nfs/dbraw/zinc/34/09/55/554340955.db2.gz XVRQYUOJYPZKBM-JGCGQSQUSA-N 0 0 559.106 7.871 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335539 554341158 /nfs/dbraw/zinc/34/11/58/554341158.db2.gz DLVMAFDXCCXOJM-MHZLTWQESA-N 0 0 572.639 6.038 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000053336098 554341351 /nfs/dbraw/zinc/34/13/51/554341351.db2.gz UKPMPJNNTVMMKW-GDLZYMKVSA-N 0 0 534.568 5.210 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000053336504 554341911 /nfs/dbraw/zinc/34/19/11/554341911.db2.gz QEWFQXCLQSYKSZ-GDLZYMKVSA-N 0 0 543.616 5.670 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000053337712 554342432 /nfs/dbraw/zinc/34/24/32/554342432.db2.gz TWUNGQXFURUYFL-QNLPTKCRSA-N 0 0 557.532 8.238 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000053338823 554342847 /nfs/dbraw/zinc/34/28/47/554342847.db2.gz NFARGJHWKCNZPW-CYFIQEHSSA-N 0 0 562.113 7.549 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053339614 554343567 /nfs/dbraw/zinc/34/35/67/554343567.db2.gz VOHFASKICQLUMV-VWLOTQADSA-N 0 0 528.586 5.558 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053340157 554343902 /nfs/dbraw/zinc/34/39/02/554343902.db2.gz PXYVXUHYEVJBPG-SSOJOUAXSA-N 0 0 558.656 6.024 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053340240 554344317 /nfs/dbraw/zinc/34/43/17/554344317.db2.gz DPGRUJSHXFNNGL-GDLZYMKVSA-N 0 0 584.694 7.036 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(Cl)c3)C2)cc1OC ZINC000053359685 554345291 /nfs/dbraw/zinc/34/52/91/554345291.db2.gz FWCDMNISLAQFNB-IANOAQMISA-N 0 0 565.069 7.572 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000053359693 554345316 /nfs/dbraw/zinc/34/53/16/554345316.db2.gz BZWSAHKQUOCUFU-CAQRMWTPSA-N 0 0 583.515 8.525 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000053360261 554345477 /nfs/dbraw/zinc/34/54/77/554345477.db2.gz GFDYQILSERCGFQ-UVMFRMCBSA-N 0 0 550.699 7.859 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000053360150 554345516 /nfs/dbraw/zinc/34/55/16/554345516.db2.gz RBLNOGDDPSHGLU-BCOMRZATSA-N 0 0 595.490 6.472 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc(OC)c1OC ZINC000053359697 554345547 /nfs/dbraw/zinc/34/55/47/554345547.db2.gz UPIZWWQFBASRMW-WQIZZMQYSA-N 0 0 534.996 6.074 50 30 KKEARN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1 ZINC000100390178 554366090 /nfs/dbraw/zinc/36/60/90/554366090.db2.gz PDHFDQQKFIWILU-JFMUQQRKSA-N 0 0 551.480 6.777 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000059090113 554372287 /nfs/dbraw/zinc/37/22/87/554372287.db2.gz LCRAFFRIKXHPNY-DEOSSOPVSA-N 0 0 567.392 5.196 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000059090111 554372303 /nfs/dbraw/zinc/37/23/03/554372303.db2.gz LCRAFFRIKXHPNY-XMMPIXPASA-N 0 0 567.392 5.196 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1 ZINC000100412900 554375514 /nfs/dbraw/zinc/37/55/14/554375514.db2.gz DGHQOGZJGBDGGO-YRUIYKTESA-N 0 0 573.431 5.633 50 30 KKEARN N#Cc1c(N)nc(SCCSc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2C#N)c(C#N)c1-c1ccc(Cl)cc1 ZINC000059211875 554385416 /nfs/dbraw/zinc/38/54/16/554385416.db2.gz WQJZZTACUULKEA-UHFFFAOYSA-N 0 0 599.532 6.653 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1I ZINC000059222142 554385756 /nfs/dbraw/zinc/38/57/56/554385756.db2.gz ILKRLNKANWRDDS-LFIBNONCSA-N 0 0 589.192 5.702 50 30 KKEARN O=C1/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100437192 554393096 /nfs/dbraw/zinc/39/30/96/554393096.db2.gz TZHDJGHRXFMASR-YPHKZZGKSA-N 0 0 540.688 8.092 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(Sc3cccc4cccnc43)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000059382456 554393283 /nfs/dbraw/zinc/39/32/83/554393283.db2.gz RLKPKXUQQOZBLI-UHFFFAOYSA-N 0 0 517.647 7.465 50 30 KKEARN CC(C)(C)c1cc(/C=N\[C@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000100454913 554395653 /nfs/dbraw/zinc/39/56/53/554395653.db2.gz FYNXDGNCEBQLGC-ATNHFCRWSA-N 0 0 546.840 9.137 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000059503709 554399519 /nfs/dbraw/zinc/39/95/19/554399519.db2.gz MYXNPEARLSWFIL-JOCHJYFZSA-N 0 0 560.583 6.823 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2Br)cc1OC ZINC000059503713 554399574 /nfs/dbraw/zinc/39/95/74/554399574.db2.gz QYBAQZRAWTVGNI-IIMAJNMQSA-N 0 0 587.514 6.775 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000059503797 554400126 /nfs/dbraw/zinc/40/01/26/554400126.db2.gz OYILOKYLBWOEPN-KPURRNSFSA-N 0 0 545.605 6.772 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000100475624 554400663 /nfs/dbraw/zinc/40/06/63/554400663.db2.gz ICMMPUAQOJGDRU-ULDKVWMHSA-N 0 0 530.005 7.181 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000059513589 554400687 /nfs/dbraw/zinc/40/06/87/554400687.db2.gz SDPQLVHCYKYSQI-WKRVVKTRSA-N 0 0 554.643 5.721 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)nc1 ZINC000100482460 554402059 /nfs/dbraw/zinc/40/20/59/554402059.db2.gz PBQVNSFTBDQFOU-FDAWAROLSA-N 0 0 538.405 7.323 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000059515173 554402778 /nfs/dbraw/zinc/40/27/78/554402778.db2.gz RFASBIOYCDECAK-FWUCURJTSA-N 0 0 567.642 6.229 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2nc(-c3cccc(I)c3)oc2c1 ZINC000059523176 554404560 /nfs/dbraw/zinc/40/45/60/554404560.db2.gz QJIDEGKEPWMNCY-FOKLQQMPSA-N 0 0 566.136 6.160 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000059523743 554405225 /nfs/dbraw/zinc/40/52/25/554405225.db2.gz KWIHQYXCSSHXRX-JRPXNJEYSA-N 0 0 559.062 6.366 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000059524461 554405689 /nfs/dbraw/zinc/40/56/89/554405689.db2.gz KGNAKQDPRLPQRV-QHCPKHFHSA-N 0 0 550.961 5.991 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2Cl)cc1OC ZINC000059524808 554405853 /nfs/dbraw/zinc/40/58/53/554405853.db2.gz LALOZVFKQJMNCO-JRPXNJEYSA-N 0 0 543.063 6.666 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)s2)cc1 ZINC000059524789 554405869 /nfs/dbraw/zinc/40/58/69/554405869.db2.gz QPLLWORRGGHJLV-KEEVHDRGSA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2Cl)cc1OC ZINC000059524802 554405895 /nfs/dbraw/zinc/40/58/95/554405895.db2.gz LALOZVFKQJMNCO-DFXYEROKSA-N 0 0 543.063 6.666 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000059525688 554406488 /nfs/dbraw/zinc/40/64/88/554406488.db2.gz YQADGVZALKNDBB-FOKLQQMPSA-N 0 0 566.136 6.160 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000059530944 554406862 /nfs/dbraw/zinc/40/68/62/554406862.db2.gz VVZVTUFQQOWVOB-RCRUUEGKSA-N 0 0 543.063 6.666 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000059595927 554408301 /nfs/dbraw/zinc/40/83/01/554408301.db2.gz MCWDVWIPHJOPBP-QHCPKHFHSA-N 0 0 527.415 5.169 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000059596138 554408777 /nfs/dbraw/zinc/40/87/77/554408777.db2.gz WLSNVHVFDLTDLC-MRFDPFKHSA-N 0 0 529.564 5.016 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@@H](CC(C)C)NC(=O)c1cccs1 ZINC000059603607 554410155 /nfs/dbraw/zinc/41/01/55/554410155.db2.gz BGXULBABHVUBMJ-LJQANCHMSA-N 0 0 554.767 5.586 50 30 KKEARN O=C(/C=C/c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000100529553 554410501 /nfs/dbraw/zinc/41/05/01/554410501.db2.gz SGMLFFORTBUPQG-BUHFOSPRSA-N 0 0 588.488 5.000 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000059620910 554414556 /nfs/dbraw/zinc/41/45/56/554414556.db2.gz VULGWCJDPOCGAQ-FGJOCGMUSA-N 0 0 568.066 5.537 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059626410 554414537 /nfs/dbraw/zinc/41/45/37/554414537.db2.gz BGSMAGNMSBVXCM-GOGYHYQUSA-N 0 0 560.046 5.839 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100550484 554414612 /nfs/dbraw/zinc/41/46/12/554414612.db2.gz NASSTBAOOSEGAY-IEWVHIKDSA-N 0 0 537.656 6.207 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000100552360 554415039 /nfs/dbraw/zinc/41/50/39/554415039.db2.gz AUQWYBAKCDNTOD-URAOTHONSA-N 0 0 590.072 6.047 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000100552365 554415073 /nfs/dbraw/zinc/41/50/73/554415073.db2.gz AUQWYBAKCDNTOD-IIMAJNMQSA-N 0 0 590.072 6.047 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100552008 554415091 /nfs/dbraw/zinc/41/50/91/554415091.db2.gz SENXPGNKPBIHRC-SLGOVJDISA-N 0 0 574.073 6.428 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100552491 554415107 /nfs/dbraw/zinc/41/51/07/554415107.db2.gz CBXJKTCYDLGVPJ-KCWXNJEJSA-N 0 0 532.011 6.463 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059626720 554415161 /nfs/dbraw/zinc/41/51/61/554415161.db2.gz BNNZGOLLFMZYMO-ZDUSSCGKSA-N 0 0 558.413 6.012 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100553571 554415332 /nfs/dbraw/zinc/41/53/32/554415332.db2.gz BEIFESRXCUTSIZ-LGGPFLRQSA-N 0 0 622.943 6.964 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000100553107 554415371 /nfs/dbraw/zinc/41/53/71/554415371.db2.gz CSENIHBGMSCXSP-XRHLQHRESA-N 0 0 584.463 5.128 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100553122 554415375 /nfs/dbraw/zinc/41/53/75/554415375.db2.gz PGYQQEYWYHVHOW-QAZDYGKNSA-N 0 0 584.507 6.265 50 30 biogenic,in-vitro KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100553081 554415423 /nfs/dbraw/zinc/41/54/23/554415423.db2.gz RAWDPXMZHWCKKX-HVIPQOSHSA-N 0 0 537.656 6.589 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OC(C)C ZINC000100554276 554415763 /nfs/dbraw/zinc/41/57/63/554415763.db2.gz KOOMBKMFZBOPKG-PIKZIKFNSA-N 0 0 540.125 6.785 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000100554304 554415815 /nfs/dbraw/zinc/41/58/15/554415815.db2.gz ZIAPDLGHZNSKQI-FWUCURJTSA-N 0 0 558.074 6.723 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100554390 554415834 /nfs/dbraw/zinc/41/58/34/554415834.db2.gz OAKSUYZJRUMOEN-UKJJDJLKSA-N 0 0 556.102 7.275 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100554400 554415970 /nfs/dbraw/zinc/41/59/70/554415970.db2.gz OAKSUYZJRUMOEN-NLGDKJDOSA-N 0 0 556.102 7.275 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000100554438 554416080 /nfs/dbraw/zinc/41/60/80/554416080.db2.gz OSYLXJNWFDIIDE-FWUCURJTSA-N 0 0 539.628 5.688 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059630734 554416065 /nfs/dbraw/zinc/41/60/65/554416065.db2.gz MGAZXORTYMHLRE-INIZCTEOSA-N 0 0 562.921 5.719 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100556675 554416293 /nfs/dbraw/zinc/41/62/93/554416293.db2.gz RJMIAGVDWNDBHJ-ZOYWYXQUSA-N 0 0 537.656 6.458 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100558939 554417512 /nfs/dbraw/zinc/41/75/12/554417512.db2.gz NTROTUSUXZALSM-BCHFMIIMSA-N 0 0 540.454 5.781 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000100559265 554417546 /nfs/dbraw/zinc/41/75/46/554417546.db2.gz CHOIIYMVGMMRQX-RNWIMVQKSA-N 0 0 558.472 6.563 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100559611 554417579 /nfs/dbraw/zinc/41/75/79/554417579.db2.gz YLDRQZWRUAOEIV-OOWIMERYSA-N 0 0 541.091 6.554 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559897 554417838 /nfs/dbraw/zinc/41/78/38/554417838.db2.gz BBFZLKMXJVFFLI-HMILPKGGSA-N 0 0 570.513 7.335 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100561629 554418077 /nfs/dbraw/zinc/41/80/77/554418077.db2.gz CCNDDAISOUEHNT-HVIPQOSHSA-N 0 0 537.656 6.459 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100561766 554418322 /nfs/dbraw/zinc/41/83/22/554418322.db2.gz NHSDRWCENVXPMA-OOOSNSGVSA-N 0 0 586.128 7.285 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccc(CCCC)cc2)cc1 ZINC000100563342 554418896 /nfs/dbraw/zinc/41/88/96/554418896.db2.gz MIZNDDVGBACOBV-MKCFTUBBSA-N 0 0 544.711 8.317 50 30 KKEARN CCCCCCCCOc1ccc(NC(=O)/C(=C/c2ccc(C)cc2)NC(=O)c2ccc(CCCC)cc2)cc1 ZINC000100563349 554418911 /nfs/dbraw/zinc/41/89/11/554418911.db2.gz WKBYBNQTVNZXGP-MKFPQRGTSA-N 0 0 540.748 8.487 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Br ZINC000100564374 554419148 /nfs/dbraw/zinc/41/91/48/554419148.db2.gz FNBWEXNJYGFLEB-AVRWGWEMSA-N 0 0 560.941 6.760 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000100563881 554419233 /nfs/dbraw/zinc/41/92/33/554419233.db2.gz HJBKGPAPNQDLLT-LMSSTIIKSA-N 0 0 568.651 5.455 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100564808 554419428 /nfs/dbraw/zinc/41/94/28/554419428.db2.gz NAVVCAFGVXOQBK-QRRWFCJLSA-N 0 0 563.694 7.122 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000100569346 554420975 /nfs/dbraw/zinc/42/09/75/554420975.db2.gz PQNWKMYWHWDIKJ-PLGUFQJHSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100570147 554421563 /nfs/dbraw/zinc/42/15/63/554421563.db2.gz LZJFUEWODKZZCM-IOYDYCAWSA-N 0 0 538.025 5.546 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100570095 554421635 /nfs/dbraw/zinc/42/16/35/554421635.db2.gz JZHJUCHRBUVFJB-POLAUDGCSA-N 0 0 588.513 6.222 50 30 KKEARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)c1 ZINC000100569910 554421656 /nfs/dbraw/zinc/42/16/56/554421656.db2.gz YBBHOWPDUABGOD-HFBYFEGMSA-N 0 0 541.551 5.903 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000100572032 554422065 /nfs/dbraw/zinc/42/20/65/554422065.db2.gz LZLPVLHJCAXHIX-LUPQGNFSSA-N 0 0 615.726 7.258 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100574766 554422440 /nfs/dbraw/zinc/42/24/40/554422440.db2.gz OEKHYMITKWDPSF-WINIVTDRSA-N 0 0 566.492 6.401 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100573411 554422506 /nfs/dbraw/zinc/42/25/06/554422506.db2.gz PAYVBYUVHZEZCN-MYUZEXMDSA-N 0 0 600.937 7.054 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000100574769 554422532 /nfs/dbraw/zinc/42/25/32/554422532.db2.gz OEKHYMITKWDPSF-XHCCPWGMSA-N 0 0 566.492 6.401 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100575812 554423085 /nfs/dbraw/zinc/42/30/85/554423085.db2.gz FGNCROYSVPVVHT-UZTOHYMASA-N 0 0 544.906 7.884 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100576029 554423622 /nfs/dbraw/zinc/42/36/22/554423622.db2.gz XUIBTJBRFNDSGY-FWUCURJTSA-N 0 0 588.100 6.600 50 30 KKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000059677116 554423748 /nfs/dbraw/zinc/42/37/48/554423748.db2.gz IGZRHKBMHOWIHZ-FRKPEAEDSA-N 0 0 604.298 7.612 50 30 biogenic,in-vitro KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100578656 554424469 /nfs/dbraw/zinc/42/44/69/554424469.db2.gz WKPDYGDGBFXPSA-PBBNMVCDSA-N 0 0 580.519 6.704 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000100579372 554424482 /nfs/dbraw/zinc/42/44/82/554424482.db2.gz MGLBASKIJQATJT-ZOYWYXQUSA-N 0 0 542.720 6.779 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000100579378 554424510 /nfs/dbraw/zinc/42/45/10/554424510.db2.gz MGLBASKIJQATJT-NLGDKJDOSA-N 0 0 542.720 6.779 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000100581365 554424777 /nfs/dbraw/zinc/42/47/77/554424777.db2.gz ZBXSGHDRJZGBNX-XHCCPWGMSA-N 0 0 542.097 6.015 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100581541 554425085 /nfs/dbraw/zinc/42/50/85/554425085.db2.gz MDOUEPTWXUHIKX-DCFHFQCYSA-N 0 0 542.097 6.015 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000059706222 554425705 /nfs/dbraw/zinc/42/57/05/554425705.db2.gz ZBWHRGVLIAAWEL-RBTNQOKQSA-N 0 0 538.040 5.835 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059706233 554426025 /nfs/dbraw/zinc/42/60/25/554426025.db2.gz QILMNIQOKVFMDD-JKFCTSDTSA-N 0 0 611.691 6.003 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000059706454 554426256 /nfs/dbraw/zinc/42/62/56/554426256.db2.gz PPVCRBFDVMPTRO-IEWVHIKDSA-N 0 0 536.672 5.909 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059734953 554427028 /nfs/dbraw/zinc/42/70/28/554427028.db2.gz RBGCPWRMSHTDDU-QHCPKHFHSA-N 0 0 595.194 6.797 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000059735493 554427326 /nfs/dbraw/zinc/42/73/26/554427326.db2.gz OOPIBKKGCVISMZ-NHRFMIRVSA-N 0 0 598.696 6.120 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588017 554427412 /nfs/dbraw/zinc/42/74/12/554427412.db2.gz XYPRDYZQRQWKPW-GDJIYFAZSA-N 0 0 614.533 6.187 50 30 KKEARN COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000059738353 554427632 /nfs/dbraw/zinc/42/76/32/554427632.db2.gz QHDZOUXNYRICSH-AREMUKBSSA-N 0 0 594.449 6.458 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2OCC)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000059749793 554427977 /nfs/dbraw/zinc/42/79/77/554427977.db2.gz UMEFZPJWVIHKPS-UHFFFAOYSA-N 0 0 540.995 6.153 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000100593163 554428803 /nfs/dbraw/zinc/42/88/03/554428803.db2.gz VVFSWESXYBQUSI-FWUCURJTSA-N 0 0 555.627 5.393 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100593369 554429395 /nfs/dbraw/zinc/42/93/95/554429395.db2.gz UWEVPHGZEHMWST-MRDQGFSESA-N 0 0 586.479 5.495 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100593310 554429460 /nfs/dbraw/zinc/42/94/60/554429460.db2.gz JCCHLPNDXOLUEW-JPZYQRIQSA-N 0 0 561.675 6.046 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000100593537 554429768 /nfs/dbraw/zinc/42/97/68/554429768.db2.gz ONCKKXXNIVHZGE-YSJGZBICSA-N 0 0 629.753 7.430 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100597660 554430428 /nfs/dbraw/zinc/43/04/28/554430428.db2.gz XXJFTXQYOOHVJZ-RCAOJXLUSA-N 0 0 614.533 6.187 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(O)c1 ZINC000100597777 554430543 /nfs/dbraw/zinc/43/05/43/554430543.db2.gz XGZIPJXFCHUPFI-NGOKVRLYSA-N 0 0 553.677 5.076 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597791 554430557 /nfs/dbraw/zinc/43/05/57/554430557.db2.gz LIVLIZDKKZYOQG-KCWXNJEJSA-N 0 0 567.704 5.466 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597885 554431043 /nfs/dbraw/zinc/43/10/43/554431043.db2.gz NSXSKOJPXCCJJU-DFXYEROKSA-N 0 0 547.648 5.656 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000100602782 554431831 /nfs/dbraw/zinc/43/18/31/554431831.db2.gz UQUUKXWTXRPNSI-XMMPIXPASA-N 0 0 555.469 5.805 50 30 KKEARN COc1cc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc(Br)c1OC ZINC000059829398 554432403 /nfs/dbraw/zinc/43/24/03/554432403.db2.gz UOTJNRILTFQTNU-DHZHZOJOSA-N 0 0 524.798 6.524 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc(OC)c1OC ZINC000100613351 554432623 /nfs/dbraw/zinc/43/26/23/554432623.db2.gz ARFXTIMIICRYDH-NDEPHWFRSA-N 0 0 543.689 6.726 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000100636184 554435811 /nfs/dbraw/zinc/43/58/11/554435811.db2.gz QZUOLJPLVDZZEN-IEWVHIKDSA-N 0 0 537.656 6.587 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100650401 554437142 /nfs/dbraw/zinc/43/71/42/554437142.db2.gz VQBYMPCRZKJEDF-QHCPKHFHSA-N 0 0 556.457 5.113 50 30 KKEARN CCCCCCCCCCCCCCCc1ccc(O[C@@H](CC)C(=O)NCCCNC(=O)c2ccc3ccccc3c2O)cc1 ZINC000100663489 554439346 /nfs/dbraw/zinc/43/93/46/554439346.db2.gz VQNWYLUDSNPONB-BHVANESWSA-N 0 0 616.887 9.273 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CCCC2=O)N1 ZINC000100669953 554441002 /nfs/dbraw/zinc/44/10/02/554441002.db2.gz PHMNRUGBJPFQNZ-HHHXNRCGSA-N 0 0 552.980 7.758 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccccc1 ZINC000100670246 554441272 /nfs/dbraw/zinc/44/12/72/554441272.db2.gz NBVUHIKOEUQLGQ-NDEPHWFRSA-N 0 0 574.475 6.038 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100673916 554442305 /nfs/dbraw/zinc/44/23/05/554442305.db2.gz GPCLOEKABHCKNH-IEZKXTBUSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100673958 554442636 /nfs/dbraw/zinc/44/26/36/554442636.db2.gz RFTHGYVUIMIHLJ-HOSFBAFGSA-N 0 0 581.665 6.201 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100675291 554443217 /nfs/dbraw/zinc/44/32/17/554443217.db2.gz PYGAFUIUNISNHN-MHZLTWQESA-N 0 0 604.769 7.524 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100675296 554443695 /nfs/dbraw/zinc/44/36/95/554443695.db2.gz MDWLEDUBHLDRBT-HHHXNRCGSA-N 0 0 590.742 7.350 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000100678614 554445295 /nfs/dbraw/zinc/44/52/95/554445295.db2.gz UFUJDUDMELDWTA-LJAQVGFWSA-N 0 0 538.575 5.895 50 30 KKEARN CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100679858 554445698 /nfs/dbraw/zinc/44/56/98/554445698.db2.gz ZFBGRWMOAONXFM-HSZRJFAPSA-N 0 0 550.633 5.599 50 30 KKEARN CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000100679876 554445716 /nfs/dbraw/zinc/44/57/16/554445716.db2.gz YAVDWDCUYVERTJ-QFIPXVFZSA-N 0 0 538.597 5.729 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100680284 554446334 /nfs/dbraw/zinc/44/63/34/554446334.db2.gz LQDUCKHNDXZFAF-RUZDIDTESA-N 0 0 576.715 6.888 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100681198 554447570 /nfs/dbraw/zinc/44/75/70/554447570.db2.gz FXPBHXYOZGRCFB-PMERELPUSA-N 0 0 537.612 6.816 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681164 554447634 /nfs/dbraw/zinc/44/76/34/554447634.db2.gz VSIKBRXJLASUMY-PMERELPUSA-N 0 0 534.612 6.831 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000059844662 554447946 /nfs/dbraw/zinc/44/79/46/554447946.db2.gz IWOCRYKSOJBYNE-RBTNQOKQSA-N 0 0 537.678 5.457 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000059844599 554447969 /nfs/dbraw/zinc/44/79/69/554447969.db2.gz UPLMTDUXUSLCSR-MRDQGFSESA-N 0 0 544.431 5.663 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000059844736 554448315 /nfs/dbraw/zinc/44/83/15/554448315.db2.gz OFYFKDBIJRFJOG-JGCPLDISSA-N 0 0 547.648 5.723 50 30 KKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CN(Cc1ccccc1)CC3 ZINC000100686302 554449477 /nfs/dbraw/zinc/44/94/77/554449477.db2.gz FYEIICHFZXXKKZ-KBVAKVRCSA-N 0 0 532.113 6.621 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1c(O)ccc2ccccc21 ZINC000100701702 554451983 /nfs/dbraw/zinc/45/19/83/554451983.db2.gz PEYVLPKIWKUSLJ-ROMHNNFLSA-N 0 0 511.754 10.127 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100701908 554452024 /nfs/dbraw/zinc/45/20/24/554452024.db2.gz WETNXAMQZXEENV-OAQYLSRUSA-N 0 0 577.877 8.793 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000100704642 554452755 /nfs/dbraw/zinc/45/27/55/554452755.db2.gz UPGDPHFLEWIHCA-RCRUUEGKSA-N 0 0 547.717 6.663 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000100704813 554452764 /nfs/dbraw/zinc/45/27/64/554452764.db2.gz CJBZEZPECCJHLV-YKGWIAGDSA-N 0 0 549.664 5.434 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C4SC(CC(C)C)=NN4C3=N)cc2OC)c(OC)c1 ZINC000100711738 554454088 /nfs/dbraw/zinc/45/40/88/554454088.db2.gz WEUSSIPVDYDVKB-MGKPMYLRSA-N 0 0 548.665 5.555 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000100719246 554454855 /nfs/dbraw/zinc/45/48/55/554454855.db2.gz WEBHAXCKNMLVAO-IBGZPJMESA-N 0 0 509.931 5.885 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000100719254 554454892 /nfs/dbraw/zinc/45/48/92/554454892.db2.gz VZRNCVGYUBUWOQ-IBGZPJMESA-N 0 0 510.915 5.713 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000100716303 554454936 /nfs/dbraw/zinc/45/49/36/554454936.db2.gz BQSKVKMYTAGOSL-UHFFFAOYSA-N 0 0 530.024 5.886 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000100726536 554456875 /nfs/dbraw/zinc/45/68/75/554456875.db2.gz LPVUQTJCRSXGQI-XMMPIXPASA-N 0 0 551.068 8.575 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000100726778 554457208 /nfs/dbraw/zinc/45/72/08/554457208.db2.gz NZDWLQLWHPQVIU-DEOSSOPVSA-N 0 0 567.067 8.275 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000100726860 554457471 /nfs/dbraw/zinc/45/74/71/554457471.db2.gz RBTNZXSJNXNVHT-VWLOTQADSA-N 0 0 595.077 8.053 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@H](O)C[S@](=O)Cc1ccccc1 ZINC000100728487 554458488 /nfs/dbraw/zinc/45/84/88/554458488.db2.gz UIJDLOUTLRCUGU-AOXBRHMESA-N 0 0 563.542 6.452 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732461 554460245 /nfs/dbraw/zinc/46/02/45/554460245.db2.gz MUZUFURXRCREBI-AMDXRBSFSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732679 554460577 /nfs/dbraw/zinc/46/05/77/554460577.db2.gz YAAKXSZWHXTNAS-ZPZUNKDASA-N 0 0 568.464 5.172 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C ZINC000100738135 554461596 /nfs/dbraw/zinc/46/15/96/554461596.db2.gz FBDYSTCQRWJMEC-UHFFFAOYSA-N 0 0 537.660 6.158 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000100749769 554465972 /nfs/dbraw/zinc/46/59/72/554465972.db2.gz NLDZZYCNELDGKC-PNJMJVHGSA-N 0 0 538.467 6.008 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=N)S1 ZINC000100764769 554469860 /nfs/dbraw/zinc/46/98/60/554469860.db2.gz BZWNNBZVFHZBSA-VLXLKOCRSA-N 0 0 529.493 7.552 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S ZINC000100778951 554472189 /nfs/dbraw/zinc/47/21/89/554472189.db2.gz DGDNEMOFWNIMKU-OOAXWGSJSA-N 0 0 533.763 7.808 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000100823068 554481371 /nfs/dbraw/zinc/48/13/71/554481371.db2.gz RVHOUVZMOKHMIB-INIZCTEOSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000100823064 554481390 /nfs/dbraw/zinc/48/13/90/554481390.db2.gz RVHOUVZMOKHMIB-MRXNPFEDSA-N 0 0 507.742 6.843 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000100826898 554482289 /nfs/dbraw/zinc/48/22/89/554482289.db2.gz PWRQVBNNRKCPRK-JDXGNMNLSA-N 0 0 557.949 9.628 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)SC1=S ZINC000100839996 554487989 /nfs/dbraw/zinc/48/79/89/554487989.db2.gz OSRIHDTWJYJOPM-MEFGMAGPSA-N 0 0 533.763 7.890 50 30 KKEARN O=C(c1ccccc1)C(C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000100840735 554489102 /nfs/dbraw/zinc/48/91/02/554489102.db2.gz ZYVLBBLZTOZLTI-OCEACIFDSA-N 0 0 505.979 6.156 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)C1=O ZINC000100846949 554491521 /nfs/dbraw/zinc/49/15/21/554491521.db2.gz KOVADCBSIOKQAS-IZHYLOQSSA-N 0 0 516.667 5.232 50 30 KKEARN COc1c(F)c(F)c(C(=O)Nc2cc(C(C)(C)C)cc(Cl)c2OC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(F)c1F ZINC000060028433 554493032 /nfs/dbraw/zinc/49/30/32/554493032.db2.gz ZCVYSCONSNMMAZ-UHFFFAOYSA-N 0 0 611.869 7.239 50 30 KKEARN C=CCn1c(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2CC=C)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000100855391 554493411 /nfs/dbraw/zinc/49/34/11/554493411.db2.gz CQINOHGISBCARS-UHFFFAOYSA-N 0 0 599.569 6.089 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)NN)cc1NC(C)=O ZINC000100854034 554493459 /nfs/dbraw/zinc/49/34/59/554493459.db2.gz CEPPQJKDTALRIG-UHFFFAOYSA-N 0 0 517.758 5.052 50 30 KKEARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000100857430 554493661 /nfs/dbraw/zinc/49/36/61/554493661.db2.gz XJDMETIULKMWSF-AWEZNQCLSA-N 0 0 534.375 6.436 50 30 KKEARN CCCCCCCCOC1=CC=CC(=C2N=C(c3ccc(C)cc3C)NC(c3ccc(C)cc3C)=N2)C1=O ZINC000100867713 554497146 /nfs/dbraw/zinc/49/71/46/554497146.db2.gz DUSCWEXFMYJRHL-UHFFFAOYSA-N 0 0 509.694 7.328 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000100871340 554499007 /nfs/dbraw/zinc/49/90/07/554499007.db2.gz XNLFCTQEERBAMD-XHPQRKPJSA-N 0 0 537.726 7.639 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)SC1=S ZINC000100872038 554500261 /nfs/dbraw/zinc/50/02/61/554500261.db2.gz QYHPXLZUDUANFY-QPLCGJKRSA-N 0 0 535.735 6.221 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2ccccc21 ZINC000060272242 554504676 /nfs/dbraw/zinc/50/46/76/554504676.db2.gz KRRKABAFWRIPGX-UHFFFAOYSA-N 0 0 510.851 10.360 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000100885111 554508348 /nfs/dbraw/zinc/50/83/48/554508348.db2.gz YEBJOIBAVCAUHG-NRFANRHFSA-N 0 0 537.613 5.125 50 30 KKEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2Br)c2ccccc2S1(=O)=O ZINC000100891983 554512290 /nfs/dbraw/zinc/51/22/90/554512290.db2.gz DWCFKXGRPZVUST-UHFFFAOYSA-N 0 0 553.478 5.625 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000100899353 554514265 /nfs/dbraw/zinc/51/42/65/554514265.db2.gz CYRFFGVRDNDOHJ-TWUBDUIWSA-N 0 0 512.745 5.657 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 ZINC000100918049 554520507 /nfs/dbraw/zinc/52/05/07/554520507.db2.gz IXTNMICZEZJYGE-UHFFFAOYSA-N 0 0 537.996 5.018 50 30 KKEARN O=C1C[C@H]2c3ccccc3CCN2C(=O)C1=CNc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000100923540 554522907 /nfs/dbraw/zinc/52/29/07/554522907.db2.gz DFGURUKOFIWPFJ-TVADFSRQSA-N 0 0 513.903 5.941 50 30 KKEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(C=NN=c2nc(Nc3ccc(F)cc3)[nH]c(N3CCCCC3)n2)o1 ZINC000100924465 554523152 /nfs/dbraw/zinc/52/31/52/554523152.db2.gz QPHUADWGAMXDEU-MUFRIFMGSA-N 0 0 530.564 5.976 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(Br)cc1 ZINC000100924774 554523379 /nfs/dbraw/zinc/52/33/79/554523379.db2.gz NSWNHXJZVKVQMB-UHFFFAOYSA-N 0 0 605.381 6.434 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(OCC)cc1 ZINC000100924965 554523710 /nfs/dbraw/zinc/52/37/10/554523710.db2.gz WQAJDZPKUBGNDO-UHFFFAOYSA-N 0 0 559.639 6.327 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000066091567 554528257 /nfs/dbraw/zinc/52/82/57/554528257.db2.gz XLMJMYIGVIBKLG-MYDMSWGXSA-N 0 0 518.563 6.656 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934231 554528599 /nfs/dbraw/zinc/52/85/99/554528599.db2.gz ZMOHLOKVMRUDBM-AREMUKBSSA-N 0 0 600.512 5.452 50 30 KKEARN C[C@@]1(O)CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NN1C(=O)c1ccc(F)cc1 ZINC000100952974 554538099 /nfs/dbraw/zinc/53/80/99/554538099.db2.gz FKHJBOOVLXWMEZ-LLVKDONJSA-N 0 0 540.251 5.475 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1 ZINC000100954659 554538622 /nfs/dbraw/zinc/53/86/22/554538622.db2.gz PNVLOCZKBWCOPS-UHFFFAOYSA-N 0 0 513.682 7.685 50 30 biogenic KKEARN O=C(Nc1nc[nH]n1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068574609 554540104 /nfs/dbraw/zinc/54/01/04/554540104.db2.gz JTLWKPHTJZCFLG-UJURSFKZSA-N 0 0 562.136 5.265 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c1O ZINC000100958080 554540898 /nfs/dbraw/zinc/54/08/98/554540898.db2.gz VMIWRSLKSNVYHZ-KKMKTNMSSA-N 0 0 559.210 6.458 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2Cc2cccs2)cc1 ZINC000100960022 554542118 /nfs/dbraw/zinc/54/21/18/554542118.db2.gz TVMNQFMCRLAUTC-GDHFJQHYSA-N 0 0 537.663 5.484 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100971319 554543771 /nfs/dbraw/zinc/54/37/71/554543771.db2.gz VJUMOZMBXSYWNJ-MLNTVTBVSA-N 0 0 540.041 5.526 50 30 KKEARN COc1cc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)/C3=N/c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000100978619 554547451 /nfs/dbraw/zinc/54/74/51/554547451.db2.gz NSXIXMMQLFYNTG-KVQDIILNSA-N 0 0 580.559 6.613 50 30 KKEARN N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000100989136 554549601 /nfs/dbraw/zinc/54/96/01/554549601.db2.gz IAHALCDIHDORFW-MRSWKSNDSA-N 0 0 603.443 5.516 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=c1/s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100989125 554549642 /nfs/dbraw/zinc/54/96/42/554549642.db2.gz TURIMIBKAPIQJY-IEFCGKBOSA-N 0 0 592.891 6.261 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100992453 554550402 /nfs/dbraw/zinc/55/04/02/554550402.db2.gz HWABMCCOMSCKFF-IOYDYCAWSA-N 0 0 540.041 5.526 50 30 KKEARN Cc1cc(Br)cc2c1N(C)C(=O)/C2=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000101008256 554556343 /nfs/dbraw/zinc/55/63/43/554556343.db2.gz JETJACFSNNDBFQ-XAAXOCNFSA-N 0 0 560.517 7.146 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000101011718 554558281 /nfs/dbraw/zinc/55/82/81/554558281.db2.gz IDZFEAUUWSDKBL-UHFFFAOYSA-N 0 0 532.618 8.751 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)[C@@H](Oc2ccccc2)C(=O)Nc2ccccc2Cl)cc1 ZINC000101022633 554561918 /nfs/dbraw/zinc/56/19/18/554561918.db2.gz XFWWVXXKJHMZAY-KXQOOQHDSA-N 0 0 647.300 10.809 50 30 KKEARN CCC/N=C(C)/C(C(=O)OCC(C)C)=C1/SN(c2ccccc2)C(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000101030968 554565121 /nfs/dbraw/zinc/56/51/21/554565121.db2.gz MNTXCHPUBBXVEQ-OAZWPOJRSA-N 0 0 536.550 7.535 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101060230 554570224 /nfs/dbraw/zinc/57/02/24/554570224.db2.gz UARRLMHSMRBBNJ-CPJLOUKISA-N 0 0 532.463 6.669 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(I)c1OC ZINC000101080836 554578684 /nfs/dbraw/zinc/57/86/84/554578684.db2.gz RRXLQPZYJYUDHN-ZOVWXIRQSA-N 0 0 538.407 5.331 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(OCc4ccc(I)cc4)cc3)C(=O)N2C)cc1 ZINC000101080726 554578728 /nfs/dbraw/zinc/57/87/28/554578728.db2.gz NEZZSLXFNLTQQP-KHHYFDFNSA-N 0 0 556.425 6.113 50 30 KKEARN Clc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCOCC2)n1 ZINC000101088362 554581149 /nfs/dbraw/zinc/58/11/49/554581149.db2.gz BWMKVQXBOZLPPV-STBIYBPSSA-N 0 0 586.922 5.139 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1OC ZINC000101090640 554581963 /nfs/dbraw/zinc/58/19/63/554581963.db2.gz HKVPAQSCDAHLLW-XAHKQYFSSA-N 0 0 543.967 5.337 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101100127 554586800 /nfs/dbraw/zinc/58/68/00/554586800.db2.gz SGGRCASWRLWJIK-JBPCWOLMSA-N 0 0 541.611 6.821 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1 ZINC000101100026 554586850 /nfs/dbraw/zinc/58/68/50/554586850.db2.gz URQFCPNLRMUDFS-UKKBHZCMSA-N 0 0 533.613 6.574 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101136 554588009 /nfs/dbraw/zinc/58/80/09/554588009.db2.gz VICIDITZSZLAQX-MIOXIQPJSA-N 0 0 605.529 5.481 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccccc2)cc1 ZINC000101108239 554640757 /nfs/dbraw/zinc/64/07/57/554640757.db2.gz XXKATXLQGYYCBD-ZYVHIHPKSA-N 0 0 543.587 5.464 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S ZINC000101120137 554643628 /nfs/dbraw/zinc/64/36/28/554643628.db2.gz AQDCNNWTULCKCK-PLRJNAJWSA-N 0 0 505.709 7.110 50 30 KKEARN CSc1nc2c(c(C#N)nn2[C@@H]2C[C@@H](OC(=O)c3ccc(C)cc3)[C@H](COC(=O)c3ccc(C)cc3)O2)c(SC)n1 ZINC000101121115 554643823 /nfs/dbraw/zinc/64/38/23/554643823.db2.gz DJEFRDMMTKQMEN-VJBWXMMDSA-N 0 0 589.699 5.129 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)CC1S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)CCCC2 ZINC000101125322 554644839 /nfs/dbraw/zinc/64/48/39/554644839.db2.gz BJYWUQQZKAREHD-MABPWNACSA-N 0 0 519.648 5.578 50 30 KKEARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000101125935 554645219 /nfs/dbraw/zinc/64/52/19/554645219.db2.gz RVQGPYWMGTXOPQ-SMIHKQSGSA-N 0 0 504.011 5.512 50 30 KKEARN O=C1C(=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(Br)ccc2N1Cc1ccccc1 ZINC000101126682 554645698 /nfs/dbraw/zinc/64/56/98/554645698.db2.gz JBDNPWAXWMQKAD-HMZBKAONSA-N 0 0 550.416 5.511 50 30 KKEARN CCOc1cc([C@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Br)cc1OCC#N ZINC000101127256 554646075 /nfs/dbraw/zinc/64/60/75/554646075.db2.gz XIZKLQJYCFMXRT-RUZDIDTESA-N 0 0 548.462 5.563 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128727 554647086 /nfs/dbraw/zinc/64/70/86/554647086.db2.gz FDIHEDDXOLHKTD-XCQFLATRSA-N 0 0 602.716 5.134 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000101129029 554647624 /nfs/dbraw/zinc/64/76/24/554647624.db2.gz PZOIZXZADRNCAO-DFKUXCBWSA-N 0 0 616.252 9.333 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101129222 554647880 /nfs/dbraw/zinc/64/78/80/554647880.db2.gz DZWOFZQUXKZNLT-KMBIYUNPSA-N 0 0 581.477 5.540 50 30 KKEARN C(#Cc1ccccc1)CN(CC#Cc1ccccc1)CCCCCCN(CC#Cc1ccccc1)CC#Cc1ccccc1 ZINC000101138871 554652272 /nfs/dbraw/zinc/65/22/72/554652272.db2.gz XUUUNKCLPOXINK-UHFFFAOYSA-N 0 0 572.796 7.358 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(/C)c5ccccc5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101155857 554658578 /nfs/dbraw/zinc/65/85/78/554658578.db2.gz WOWKTXBMVQRHOU-BKJRLHHMSA-N 0 0 527.584 6.513 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000101156804 554658850 /nfs/dbraw/zinc/65/88/50/554658850.db2.gz BQVYVLQDZBLVLO-WYOOIXGGSA-N 0 0 590.676 6.427 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000101194677 554671787 /nfs/dbraw/zinc/67/17/87/554671787.db2.gz OMXZDUZHAPEPFY-WTYVLRPYSA-N 0 0 537.678 5.370 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204531 554674589 /nfs/dbraw/zinc/67/45/89/554674589.db2.gz HHKRWCDJXNVKBI-SFRLIIPVSA-N 0 0 597.708 6.224 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204744 554674759 /nfs/dbraw/zinc/67/47/59/554674759.db2.gz HVFLHHGCVUGCCH-MYUZEXMDSA-N 0 0 616.505 5.035 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccc(Cl)cc1 ZINC000101208981 554678065 /nfs/dbraw/zinc/67/80/65/554678065.db2.gz JSAHWGZBHMGIFT-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208945 554678068 /nfs/dbraw/zinc/67/80/68/554678068.db2.gz XVYZGAMRCRPSPX-UHFFFAOYSA-N 0 0 550.034 5.100 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209577 554678539 /nfs/dbraw/zinc/67/85/39/554678539.db2.gz GFKKKQNACACHPL-JOCHJYFZSA-N 0 0 566.482 5.310 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209813 554678552 /nfs/dbraw/zinc/67/85/52/554678552.db2.gz AHMLQWRDWWEFOB-UHFFFAOYSA-N 0 0 535.666 5.228 50 30 KKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1=O ZINC000101210584 554679354 /nfs/dbraw/zinc/67/93/54/554679354.db2.gz LREOLBWIOSEVBB-ZLWVYGHNSA-N 0 0 538.611 6.124 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212733 554679791 /nfs/dbraw/zinc/67/97/91/554679791.db2.gz GFFVWMUFOXNOCM-URNDWHGUSA-N 0 0 611.735 6.613 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212774 554680010 /nfs/dbraw/zinc/68/00/10/554680010.db2.gz CMTQCZLIILEZRM-JXSYCYSGSA-N 0 0 593.720 7.130 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212968 554680217 /nfs/dbraw/zinc/68/02/17/554680217.db2.gz DDCIXWPFRNXVHM-NDOVKIIASA-N 0 0 581.709 6.988 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212880 554680232 /nfs/dbraw/zinc/68/02/32/554680232.db2.gz VPKPSLHVOJYBGT-SFRLIIPVSA-N 0 0 581.709 6.844 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101212997 554680262 /nfs/dbraw/zinc/68/02/62/554680262.db2.gz GXJLDZQVJQVCEJ-OGVWKLGRSA-N 0 0 583.681 5.956 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218065 554685049 /nfs/dbraw/zinc/68/50/49/554685049.db2.gz RSPZQUXAYINXQZ-YJNPBZNESA-N 0 0 581.709 6.844 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101218267 554685244 /nfs/dbraw/zinc/68/52/44/554685244.db2.gz TXOVODMKFJIZKQ-OOXUFLSTSA-N 0 0 611.691 5.785 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218300 554685297 /nfs/dbraw/zinc/68/52/97/554685297.db2.gz ZWKGRFQRENBPSE-WAQHJAAWSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000101218396 554685478 /nfs/dbraw/zinc/68/54/78/554685478.db2.gz BAWREZYJZHAZFV-WHLCRQNOSA-N 0 0 630.532 5.510 50 30 KKEARN Cc1cccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)c1 ZINC000101218480 554685654 /nfs/dbraw/zinc/68/56/54/554685654.db2.gz OGKSXKWYXUMLEQ-DSQDTXNJSA-N 0 0 538.028 5.263 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101218651 554685947 /nfs/dbraw/zinc/68/59/47/554685947.db2.gz PJSZRQSGVXQJKF-JKFCTSDTSA-N 0 0 597.708 6.606 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218806 554686075 /nfs/dbraw/zinc/68/60/75/554686075.db2.gz HSKOGECGDCBUIM-UHFFFAOYSA-N 0 0 556.537 5.197 50 30 KKEARN CCCOc1ccc(/C=N/Nc2cnn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2Cl)cc1OC ZINC000101219883 554686381 /nfs/dbraw/zinc/68/63/81/554686381.db2.gz FOQNXNMHNLJALP-YPXUMCKCSA-N 0 0 530.239 6.149 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220618 554686627 /nfs/dbraw/zinc/68/66/27/554686627.db2.gz ZFHOCKXJIOXHCX-SFRLIIPVSA-N 0 0 611.691 6.133 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220734 554686900 /nfs/dbraw/zinc/68/69/00/554686900.db2.gz LXSVSLNPPCLZHL-SONOPUAISA-N 0 0 630.532 5.425 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220745 554686904 /nfs/dbraw/zinc/68/69/04/554686904.db2.gz BAULUEPOCZVQCG-IPBJYNAHSA-N 0 0 607.625 6.706 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101237105 554691636 /nfs/dbraw/zinc/69/16/36/554691636.db2.gz OEPQKWRIRQMFHC-CZNDPXEESA-N 0 0 634.733 5.371 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237621 554692169 /nfs/dbraw/zinc/69/21/69/554692169.db2.gz AYNPKDPHSLIQFN-WNJJXGMVSA-N 0 0 588.630 5.024 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237933 554692408 /nfs/dbraw/zinc/69/24/08/554692408.db2.gz ZUEIVWVISBJUJP-IGKIAQTJSA-N 0 0 578.566 5.443 50 30 KKEARN O=C1/C(=C/c2ccc(F)c(Br)c2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)c(Br)c1 ZINC000101256957 554697062 /nfs/dbraw/zinc/69/70/62/554697062.db2.gz BAGGJABEWRCEIS-CLVAPQHMSA-N 0 0 559.248 7.042 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276760 554702890 /nfs/dbraw/zinc/70/28/90/554702890.db2.gz CAZODXHWYGAACF-DFXXOVSGSA-N 0 0 594.689 6.616 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000101276782 554703138 /nfs/dbraw/zinc/70/31/38/554703138.db2.gz CULOYJGCSNIPHX-ZHHPLPSFSA-N 0 0 548.617 5.136 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277463 554703999 /nfs/dbraw/zinc/70/39/99/554703999.db2.gz LTVQCKQQTOJEKK-AMKIGSDESA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277833 554704128 /nfs/dbraw/zinc/70/41/28/554704128.db2.gz QJBAOUZSMQYXTE-MIOXIQPJSA-N 0 0 608.716 6.870 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278099 554704811 /nfs/dbraw/zinc/70/48/11/554704811.db2.gz XDHOZAMELDILEI-AYWGPLOBSA-N 0 0 548.617 5.136 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101286456 554705992 /nfs/dbraw/zinc/70/59/92/554705992.db2.gz PHLDVGHSEGDDID-QFIPXVFZSA-N 0 0 548.621 5.188 50 30 KKEARN C=CCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101292024 554708829 /nfs/dbraw/zinc/70/88/29/554708829.db2.gz OHZSSIAJTNZMLE-UOWMXVQPSA-N 0 0 621.520 7.540 50 30 KKEARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000101292548 554709167 /nfs/dbraw/zinc/70/91/67/554709167.db2.gz JGWYHGYYMGZMIB-NRFANRHFSA-N 0 0 526.489 6.878 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294217 554711002 /nfs/dbraw/zinc/71/10/02/554711002.db2.gz GYDKRBGTAFHIRU-JVJOXMINSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000101299987 554713544 /nfs/dbraw/zinc/71/35/44/554713544.db2.gz RNJUVPRKQGHVQM-ONQGDUAMSA-N 0 0 538.625 6.222 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccco2)cc1 ZINC000101304200 554713955 /nfs/dbraw/zinc/71/39/55/554713955.db2.gz WRYAGOKYPGUGFF-ILETTZGHSA-N 0 0 533.548 5.057 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310245 554717301 /nfs/dbraw/zinc/71/73/01/554717301.db2.gz JOGWWNRRUDBNSK-QNIVJUIWSA-N 0 0 590.654 5.151 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310252 554717344 /nfs/dbraw/zinc/71/73/44/554717344.db2.gz WGMYAUMKMRAHFP-TVXPFAQOSA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310267 554717372 /nfs/dbraw/zinc/71/73/72/554717372.db2.gz UAKRJNWZHAOXPN-PDZZUNKHSA-N 0 0 603.096 6.863 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310251 554717409 /nfs/dbraw/zinc/71/74/09/554717409.db2.gz WGMYAUMKMRAHFP-XVTRYDTASA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310396 554717982 /nfs/dbraw/zinc/71/79/82/554717982.db2.gz RCUZGQCEUPZHOD-WGGXKBPPSA-N 0 0 541.600 5.086 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312889 554721116 /nfs/dbraw/zinc/72/11/16/554721116.db2.gz AQZJVQCZOOMNBR-UMKORLBGSA-N 0 0 596.639 5.962 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312865 554721180 /nfs/dbraw/zinc/72/11/80/554721180.db2.gz VXPJRFYCQQVTRA-HATVSKDLSA-N 0 0 570.620 6.372 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313588 554721815 /nfs/dbraw/zinc/72/18/15/554721815.db2.gz CKKBWKSGKPYKJI-NXLSWJSLSA-N 0 0 500.576 5.951 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313482 554721869 /nfs/dbraw/zinc/72/18/69/554721869.db2.gz YUKUISDVRABOED-CZNAVJSXSA-N 0 0 526.614 6.058 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313746 554722230 /nfs/dbraw/zinc/72/22/30/554722230.db2.gz DKLQAMORAQPBON-QBTYMPIYSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313712 554722251 /nfs/dbraw/zinc/72/22/51/554722251.db2.gz ZVSOOXGVXUUVFR-NSOCNUKWSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313936 554722379 /nfs/dbraw/zinc/72/23/79/554722379.db2.gz VHHRRLUWPCBNDQ-CZNAVJSXSA-N 0 0 540.597 5.567 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318616 554725806 /nfs/dbraw/zinc/72/58/06/554725806.db2.gz VQEHAOYSKJJRBZ-HATVSKDLSA-N 0 0 570.620 6.372 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)C1=S ZINC000101331376 554732196 /nfs/dbraw/zinc/73/21/96/554732196.db2.gz GBCUEXFPDZQMPY-SGQFIMJCSA-N 0 0 547.577 6.245 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000101338103 554734650 /nfs/dbraw/zinc/73/46/50/554734650.db2.gz VUDJMPWFRUHZAV-NDEPHWFRSA-N 0 0 543.547 5.793 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000101338190 554734672 /nfs/dbraw/zinc/73/46/72/554734672.db2.gz QPFFZELRDXIMIM-SSEXGKCCSA-N 0 0 574.649 5.022 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@@H]1CO ZINC000101358612 554741326 /nfs/dbraw/zinc/74/13/26/554741326.db2.gz PKBAHLATVMBYGR-HRBORTPRSA-N 0 0 569.783 6.671 50 30 KKEARN C=CCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccc(Cl)cc2Cl)cnc1S(=O)(=O)Cc1ccccc1 ZINC000101366058 554743763 /nfs/dbraw/zinc/74/37/63/554743763.db2.gz IFVWPJQJWOGEKT-JOCHJYFZSA-N 0 0 548.492 5.171 50 30 KKEARN C=CCn1c(SCc2cccc(Oc3ccccc3)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000101365269 554743783 /nfs/dbraw/zinc/74/37/83/554743783.db2.gz ZOEOEUXSDHFEAI-UHFFFAOYSA-N 0 0 526.665 8.431 50 30 KKEARN C=CCn1c(SCc2c(F)ccc(C)c2Cl)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367780 554743943 /nfs/dbraw/zinc/74/39/43/554743943.db2.gz MUYFMQLABJUHDQ-UHFFFAOYSA-N 0 0 591.108 7.765 50 30 KKEARN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367784 554744029 /nfs/dbraw/zinc/74/40/29/554744029.db2.gz WKOPNRURHGMUBD-UHFFFAOYSA-N 0 0 560.626 6.943 50 30 KKEARN Cc1ccc2[nH]cc(CCN3C(=O)[C@H](CC(=O)Nc4ccccc4)S/C3=N/c3ccccc3Cl)c2c1 ZINC000101379583 554747632 /nfs/dbraw/zinc/74/76/32/554747632.db2.gz YIQLBUXCNUAFKD-MKPQOVPHSA-N 0 0 517.054 6.333 50 30 KKEARN COc1ccc2[nH]cc(CCN3C(=O)[C@H](CC(=O)Nc4ccccc4)S/C3=N/C3CCCCC3)c2c1 ZINC000101379525 554747675 /nfs/dbraw/zinc/74/76/75/554747675.db2.gz MIVIOBSWPPECTC-SXTXFEDFSA-N 0 0 504.656 5.381 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101381324 554748321 /nfs/dbraw/zinc/74/83/21/554748321.db2.gz VEJSMGTXERMBJZ-CXNUKBDRSA-N 0 0 586.047 6.224 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccc(OC)c(Cl)c1)cn2CC ZINC000101391202 554754472 /nfs/dbraw/zinc/75/44/72/554754472.db2.gz GQFBATAMWSKKQS-JVWAILMASA-N 0 0 550.150 5.454 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000101483981 554785079 /nfs/dbraw/zinc/78/50/79/554785079.db2.gz WHRBZXFJYZNUBM-SVXHESJVSA-N 0 0 597.736 8.063 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000101641728 554814423 /nfs/dbraw/zinc/81/44/23/554814423.db2.gz NUWXYZYFUCDFPK-HHCKTEBMSA-N 0 0 552.067 6.367 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1OC ZINC000101642722 554814738 /nfs/dbraw/zinc/81/47/38/554814738.db2.gz XVILIZUBPRVBOF-DZJGSNNOSA-N 0 0 533.665 6.196 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000101642659 554814742 /nfs/dbraw/zinc/81/47/42/554814742.db2.gz MPGIRUJTKLSEDP-NDZAJKAJSA-N 0 0 520.570 7.051 50 30 KKEARN Cc1cc(C)c(C#Cc2c3c(F)c(F)c(F)c(F)c3c(C#Cc3c(C)cc(C)cc3C)c3c(F)c(F)c(F)c(F)c23)c(C)c1 ZINC000101683366 554828668 /nfs/dbraw/zinc/82/86/68/554828668.db2.gz YYIVDNHHWCQYCH-UHFFFAOYSA-N 0 0 606.556 9.756 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)c(OC)c2OC)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000101726254 554832777 /nfs/dbraw/zinc/83/27/77/554832777.db2.gz PAUQRBHOHOMTJC-SRLBMSEASA-N 0 0 578.731 7.105 50 30 KKEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000101733219 554833511 /nfs/dbraw/zinc/83/35/11/554833511.db2.gz OGWRHEVJDMWBAS-UHFFFAOYSA-N 0 0 540.023 5.203 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC ZINC000101892268 554846493 /nfs/dbraw/zinc/84/64/93/554846493.db2.gz KIUMAMASSRESMA-UHCIHMBKSA-N 0 0 520.695 7.236 50 30 KKEARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OCc1ccccc1 ZINC000102051024 554871191 /nfs/dbraw/zinc/87/11/91/554871191.db2.gz OMCCKBVLAGHMPL-JHOBJCJYSA-N 0 0 575.690 6.773 50 30 KKEARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1OC ZINC000102050999 554871216 /nfs/dbraw/zinc/87/12/16/554871216.db2.gz VVPRLQFNEPTWSB-HJPURHCSSA-N 0 0 529.618 5.211 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc(OC)c1OC ZINC000102051682 554871421 /nfs/dbraw/zinc/87/14/21/554871421.db2.gz RKOUFMYWFOYDAV-LGGPFLRQSA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000102052595 554871876 /nfs/dbraw/zinc/87/18/76/554871876.db2.gz XMAOPGMLGPEUTK-SIBVEZHUSA-N 0 0 538.560 5.049 50 30 KKEARN CCOc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000102052703 554871899 /nfs/dbraw/zinc/87/18/99/554871899.db2.gz WVQKAEQJWOKFQJ-KMRXNPHXSA-N 0 0 537.616 5.540 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102055174 554872575 /nfs/dbraw/zinc/87/25/75/554872575.db2.gz LLZFROOGVPLWNQ-KSFYIVLOSA-N 0 0 523.536 6.084 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000102055196 554872637 /nfs/dbraw/zinc/87/26/37/554872637.db2.gz WIMHSFNUWYEQSQ-NIYFSFCBSA-N 0 0 561.560 6.160 50 30 KKEARN N=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)N(C1CCCCC1)C1CCCCC1 ZINC000102055841 554872831 /nfs/dbraw/zinc/87/28/31/554872831.db2.gz XJURWAFFBWKTHM-UHFFFAOYSA-N 0 0 614.710 9.417 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076508 554874541 /nfs/dbraw/zinc/87/45/41/554874541.db2.gz YAAOEFCXRQSSJY-XMMCBNBESA-N 0 0 582.722 7.288 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076488 554874583 /nfs/dbraw/zinc/87/45/83/554874583.db2.gz SVXQBIOFEBWELY-NGAXIMOQSA-N 0 0 501.579 5.650 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102076714 554874761 /nfs/dbraw/zinc/87/47/61/554874761.db2.gz WZXJOAAHVFSGKY-LODGOHBISA-N 0 0 512.606 5.452 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076560 554874779 /nfs/dbraw/zinc/87/47/79/554874779.db2.gz JMMWTGIGTHZLKX-QBCYBHDASA-N 0 0 568.695 6.979 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076766 554875059 /nfs/dbraw/zinc/87/50/59/554875059.db2.gz HINXIMGUQRQBTO-TXTDGAROSA-N 0 0 513.590 5.505 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102076729 554875115 /nfs/dbraw/zinc/87/51/15/554875115.db2.gz WZXJOAAHVFSGKY-YREDKMEYSA-N 0 0 512.606 5.452 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076749 554875172 /nfs/dbraw/zinc/87/51/72/554875172.db2.gz SWKARDYIBSDPNU-YREDKMEYSA-N 0 0 512.606 5.452 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1 ZINC000102095656 554879150 /nfs/dbraw/zinc/87/91/50/554879150.db2.gz ZSQUKSMPSVNCMC-UHFFFAOYSA-N 0 0 547.648 7.398 50 30 KKEARN CCOc1ccc(CCNC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1OCC ZINC000102131230 554885518 /nfs/dbraw/zinc/88/55/18/554885518.db2.gz ASPBSZCJOPYCQW-JLPGSUDCSA-N 0 0 547.098 5.405 50 30 KKEARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)Nc3ccc(CC#N)cc3)cnn2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102132350 554886475 /nfs/dbraw/zinc/88/64/75/554886475.db2.gz ZXISWNAPUNMUPW-UHFFFAOYSA-N 0 0 530.585 5.213 50 30 KKEARN Cc1c(Cl)cccc1-n1ncc(C(=O)Nc2ccc(CC#N)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102132965 554887106 /nfs/dbraw/zinc/88/71/06/554887106.db2.gz ILBGPWOHXVRVPB-UHFFFAOYSA-N 0 0 534.060 6.267 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000102139287 554888210 /nfs/dbraw/zinc/88/82/10/554888210.db2.gz PHYQOJOGJZSOBA-UHFFFAOYSA-N 0 0 590.613 7.187 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000102168872 554890571 /nfs/dbraw/zinc/89/05/71/554890571.db2.gz GCTZVLKGAUFQJH-IUKMQXEJSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175445 554891889 /nfs/dbraw/zinc/89/18/89/554891889.db2.gz ZXSPGKNZMRRHPA-NPJIAGGLSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175441 554891929 /nfs/dbraw/zinc/89/19/29/554891929.db2.gz ZXSPGKNZMRRHPA-IUKMQXEJSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175499 554892309 /nfs/dbraw/zinc/89/23/09/554892309.db2.gz IVRVLGTZCIQESP-AHPONGEQSA-N 0 0 548.639 6.839 50 30 KKEARN N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2NC(=O)c2ccc(C#N)cc2)cc1 ZINC000102229932 554900006 /nfs/dbraw/zinc/90/00/06/554900006.db2.gz QXPQWBQJCJNNAE-UHFFFAOYSA-N 0 0 556.003 5.389 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)/C1=C1\C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000102266186 554905344 /nfs/dbraw/zinc/90/53/44/554905344.db2.gz HKQMVEYJUSCHJQ-VVZAZBQKSA-N 0 0 616.760 10.238 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000102309111 554909564 /nfs/dbraw/zinc/90/95/64/554909564.db2.gz IEZYDVPBCINKPR-ORDRXGECSA-N 0 0 578.134 5.139 50 30 KKEARN O=C1c2cc(Br)c3ccccc3c2N/C1=C1/Nc2c(c3ccccc3cc2Br)C1=O ZINC000102312501 554909941 /nfs/dbraw/zinc/90/99/41/554909941.db2.gz QUAXLSRAIFPCNN-QURGRASLSA-N 0 0 520.180 6.646 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102377720 554918271 /nfs/dbraw/zinc/91/82/71/554918271.db2.gz JUKVNTDSTCHEAJ-NXLSWJSLSA-N 0 0 521.411 5.562 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000102414601 554924507 /nfs/dbraw/zinc/92/45/07/554924507.db2.gz WGAAJSQLLVXUMF-LMSSTIIKSA-N 0 0 553.928 8.694 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000102437997 554928976 /nfs/dbraw/zinc/92/89/76/554928976.db2.gz MLTRFPBJVYBDQU-JJFYIABZSA-N 0 0 568.309 8.170 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000102450379 554931510 /nfs/dbraw/zinc/93/15/10/554931510.db2.gz RNNXPEVDLOTZDQ-WSEBHVOGSA-N 0 0 617.883 5.489 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)c([C@H](C#N)c3ccc(C)cc3)cc2C)c1 ZINC000102452413 554932749 /nfs/dbraw/zinc/93/27/49/554932749.db2.gz ARANBGHHIUXVLJ-XNMGPUDCSA-N 0 0 547.677 5.076 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C/c2ccc(-c3cccc(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000102462380 554935225 /nfs/dbraw/zinc/93/52/25/554935225.db2.gz OCMPRKPGFFTASM-MJHDJXAISA-N 0 0 558.446 5.608 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102483980 554937701 /nfs/dbraw/zinc/93/77/01/554937701.db2.gz LTKTZDSSTCHHLO-CJJGVWJISA-N 0 0 528.630 6.453 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1CCCc1ccccc1 ZINC000102484688 554937928 /nfs/dbraw/zinc/93/79/28/554937928.db2.gz QZGUYXPHOQAZDA-MUUNZHRXSA-N 0 0 574.521 6.368 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102486056 554938185 /nfs/dbraw/zinc/93/81/85/554938185.db2.gz JWJQISJDCVJMOK-ONQGDUAMSA-N 0 0 582.678 6.314 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102485868 554938222 /nfs/dbraw/zinc/93/82/22/554938222.db2.gz VJHIWKHFLKUEAE-COUQNMRISA-N 0 0 504.564 5.458 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102485339 554938299 /nfs/dbraw/zinc/93/82/99/554938299.db2.gz BQFSOZBGHJSRQA-QMMFTLRZSA-N 0 0 550.611 5.695 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102493600 554939602 /nfs/dbraw/zinc/93/96/02/554939602.db2.gz LBTYLUQSENKLSP-QMMFTLRZSA-N 0 0 567.642 5.300 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102497357 554941315 /nfs/dbraw/zinc/94/13/15/554941315.db2.gz HYCSVBSJEXTWSY-TXTDGAROSA-N 0 0 559.449 6.898 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102504381 554944227 /nfs/dbraw/zinc/94/42/27/554944227.db2.gz POSVLZQYGIGQFD-MNOIWJKESA-N 0 0 511.618 5.853 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102506528 554944567 /nfs/dbraw/zinc/94/45/67/554944567.db2.gz CGQBWPMUFNJCJY-CJJGVWJISA-N 0 0 571.512 5.080 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102507721 554945246 /nfs/dbraw/zinc/94/52/46/554945246.db2.gz SPJOWPMIZQJECS-ZZIWUOEGSA-N 0 0 563.473 6.701 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102509642 554946010 /nfs/dbraw/zinc/94/60/10/554946010.db2.gz BSUDCSNARKTNDZ-QOISPNJLSA-N 0 0 525.645 6.243 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102509485 554946021 /nfs/dbraw/zinc/94/60/21/554946021.db2.gz VHTQVMOYHPFYMM-GAPOMRBKSA-N 0 0 544.629 5.955 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1F ZINC000102511128 554946199 /nfs/dbraw/zinc/94/61/99/554946199.db2.gz NXXXBJCHYLDIQC-QMMFTLRZSA-N 0 0 600.613 9.491 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102515089 554947594 /nfs/dbraw/zinc/94/75/94/554947594.db2.gz QTQLUJUSCMGJTR-NXLSWJSLSA-N 0 0 519.022 6.708 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102518137 554948788 /nfs/dbraw/zinc/94/87/88/554948788.db2.gz OJMOWWZMOLRRJF-IUKMQXEJSA-N 0 0 528.630 6.237 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102519029 554948925 /nfs/dbraw/zinc/94/89/25/554948925.db2.gz JHIBLDBLBOBGFG-WENCHWOGSA-N 0 0 556.659 5.851 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522519 554949924 /nfs/dbraw/zinc/94/99/24/554949924.db2.gz BLFUNBTXMTZTGF-JBCNATCCSA-N 0 0 511.372 5.370 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102523586 554950165 /nfs/dbraw/zinc/95/01/65/554950165.db2.gz MJDPZKASLFYYPY-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102525194 554951620 /nfs/dbraw/zinc/95/16/20/554951620.db2.gz PYUNOQFISYRQMI-IUKMQXEJSA-N 0 0 516.594 6.584 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526385 554952242 /nfs/dbraw/zinc/95/22/42/554952242.db2.gz UFEVMAQHWZNFSE-NXLSWJSLSA-N 0 0 502.567 6.159 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(OC)cc1 ZINC000102527270 554952577 /nfs/dbraw/zinc/95/25/77/554952577.db2.gz XWTFMIMXKRFWTL-AHPONGEQSA-N 0 0 612.649 9.361 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102529011 554953181 /nfs/dbraw/zinc/95/31/81/554953181.db2.gz UDKJCZVYNRDHFY-WGGXKBPPSA-N 0 0 504.586 5.899 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102532734 554954374 /nfs/dbraw/zinc/95/43/74/554954374.db2.gz CTIKGWRTKHUYCT-QKJBWNOYSA-N 0 0 544.629 5.874 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533556 554954794 /nfs/dbraw/zinc/95/47/94/554954794.db2.gz COAGWBOSTLUZHQ-IUKMQXEJSA-N 0 0 576.627 5.356 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102535578 554955405 /nfs/dbraw/zinc/95/54/05/554955405.db2.gz QPBFNQLDMXNLKI-QMMFTLRZSA-N 0 0 593.721 8.406 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)cc1 ZINC000102536915 554955956 /nfs/dbraw/zinc/95/59/56/554955956.db2.gz BDNBYRUXHCGHQT-CZNAVJSXSA-N 0 0 513.619 5.344 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102544427 554958466 /nfs/dbraw/zinc/95/84/66/554958466.db2.gz BYCWRRVLRIZZRV-CZNAVJSXSA-N 0 0 544.629 5.955 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544527 554958481 /nfs/dbraw/zinc/95/84/81/554958481.db2.gz LLRCBKKAZMGIJC-XTODBVILSA-N 0 0 565.478 7.170 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102545541 554959041 /nfs/dbraw/zinc/95/90/41/554959041.db2.gz GFEIFUOMKNQPSG-GAPOMRBKSA-N 0 0 544.629 5.874 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102546319 554959462 /nfs/dbraw/zinc/95/94/62/554959462.db2.gz AHXVBZSVSUTKQN-MIOXIQPJSA-N 0 0 576.630 6.795 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102546367 554959504 /nfs/dbraw/zinc/95/95/04/554959504.db2.gz HDYTVSCYVDCQLG-LLRJPKBTSA-N 0 0 598.721 7.050 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102549659 554960994 /nfs/dbraw/zinc/96/09/94/554960994.db2.gz HUARNRXXQANURB-GAPOMRBKSA-N 0 0 558.612 5.328 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000102551503 554962271 /nfs/dbraw/zinc/96/22/71/554962271.db2.gz QLVZKHWERKTSPP-VEZPTTSMSA-N 0 0 533.580 5.659 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102553014 554962843 /nfs/dbraw/zinc/96/28/43/554962843.db2.gz VRAWDZRFMYEJGL-NMBCHZPXSA-N 0 0 602.712 7.442 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102552956 554962880 /nfs/dbraw/zinc/96/28/80/554962880.db2.gz BFAWFCZXXIBMCL-DDLSXHCZSA-N 0 0 598.721 7.070 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102559251 554966456 /nfs/dbraw/zinc/96/64/56/554966456.db2.gz MESFOXYNDGTVDM-NSOCNUKWSA-N 0 0 540.641 6.343 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559832 554967256 /nfs/dbraw/zinc/96/72/56/554967256.db2.gz AUDFNXBJNCCLCH-JVJOXMINSA-N 0 0 554.624 5.680 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102561162 554967831 /nfs/dbraw/zinc/96/78/31/554967831.db2.gz RWAICWREIPEQFD-QOISPNJLSA-N 0 0 573.690 5.542 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102562207 554968634 /nfs/dbraw/zinc/96/86/34/554968634.db2.gz HEBCWFCQRZLVNH-DZTJFIFISA-N 0 0 554.668 6.733 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583687 554972767 /nfs/dbraw/zinc/97/27/67/554972767.db2.gz LARFBJZKZVJTET-FSISNWKMSA-N 0 0 516.550 5.394 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102603849 554978160 /nfs/dbraw/zinc/97/81/60/554978160.db2.gz JSYGJJPIIMUTJU-XVTRYDTASA-N 0 0 560.672 6.173 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606182 554979025 /nfs/dbraw/zinc/97/90/25/554979025.db2.gz KWYMGPGDZMEXFC-AKJBCIBTSA-N 0 0 544.604 6.331 50 30 KKEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000102611369 554981435 /nfs/dbraw/zinc/98/14/35/554981435.db2.gz DWCHCQFASUUDIL-JOCHJYFZSA-N 0 0 566.532 5.200 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615523 554984221 /nfs/dbraw/zinc/98/42/21/554984221.db2.gz SJBARLIUXUSWCH-NXLSVDECSA-N 0 0 616.711 7.209 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)c(C)c1 ZINC000102622275 554987480 /nfs/dbraw/zinc/98/74/80/554987480.db2.gz KAYZNUXSVXIXSB-XSVYLIDLSA-N 0 0 596.756 8.299 50 30 KKEARN CCCCCCCCCCCCCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000102645034 554991902 /nfs/dbraw/zinc/99/19/02/554991902.db2.gz QFIUXDHHXFJPQC-UHFFFAOYSA-N 0 0 555.898 10.444 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102646481 554992740 /nfs/dbraw/zinc/99/27/40/554992740.db2.gz JHIBLDBLBOBGFG-ICQXDZJJSA-N 0 0 556.659 5.851 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102650723 554995659 /nfs/dbraw/zinc/99/56/59/554995659.db2.gz IZKBPPGLCPMLBM-ROBPHKHBSA-N 0 0 517.578 5.412 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000102651240 554995966 /nfs/dbraw/zinc/99/59/66/554995966.db2.gz HRNSAYMVACIWRJ-HKBQPEDESA-N 0 0 596.708 9.266 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651343 554995987 /nfs/dbraw/zinc/99/59/87/554995987.db2.gz OHLUARWFYYYBDU-JFTLGNCFSA-N 0 0 556.596 5.041 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652277 554996473 /nfs/dbraw/zinc/99/64/73/554996473.db2.gz DTHIODGYPLTDIV-GBIFRDBCSA-N 0 0 600.693 6.442 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652486 554996958 /nfs/dbraw/zinc/99/69/58/554996958.db2.gz SVNNMAXLKBVGHC-NSOCNUKWSA-N 0 0 601.725 7.043 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102653279 554997150 /nfs/dbraw/zinc/99/71/50/554997150.db2.gz UVZJCMZPIMCJNB-WRPQUVRJSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102653389 554997165 /nfs/dbraw/zinc/99/71/65/554997165.db2.gz CCCZHNLAEUEHKE-MIOXIQPJSA-N 0 0 558.631 5.442 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102653896 554997303 /nfs/dbraw/zinc/99/73/03/554997303.db2.gz MHBNDLVOLHEHES-LAOGWUEASA-N 0 0 540.641 6.262 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655919 554998641 /nfs/dbraw/zinc/99/86/41/554998641.db2.gz ZHRRITAEDLOUBC-SMZGYIOJSA-N 0 0 622.674 6.973 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656100 554999077 /nfs/dbraw/zinc/99/90/77/554999077.db2.gz JBXMZPWYVMVXPR-GBIFRDBCSA-N 0 0 602.684 6.963 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102657979 554999587 /nfs/dbraw/zinc/99/95/87/554999587.db2.gz NJBLRTBZKKKBCY-XKNZNLGKSA-N 0 0 570.667 6.434 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102658700 554999762 /nfs/dbraw/zinc/99/97/62/554999762.db2.gz HEPBEJIBQZEQBU-VWLOTQADSA-N 0 0 532.438 5.502 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663830 555001199 /nfs/dbraw/zinc/00/11/99/555001199.db2.gz LARFBJZKZVJTET-KNZGKXHUSA-N 0 0 516.550 5.394 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663314 555001271 /nfs/dbraw/zinc/00/12/71/555001271.db2.gz KAPDSUHUCHCXDB-TVXPFAQOSA-N 0 0 539.613 5.375 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C\c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1-c1ccccc1 ZINC000102666850 555001653 /nfs/dbraw/zinc/00/16/53/555001653.db2.gz BDGRORGYGASODZ-VTVAITHDSA-N 0 0 558.446 5.608 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C\c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102666810 555001721 /nfs/dbraw/zinc/00/17/21/555001721.db2.gz LKDGMIJMRMNVEC-GNOUONQKSA-N 0 0 558.446 5.608 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000102672600 555002803 /nfs/dbraw/zinc/00/28/03/555002803.db2.gz XOENQRKVIVWAII-RRTCDKLQSA-N 0 0 597.736 8.904 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102673714 555003471 /nfs/dbraw/zinc/00/34/71/555003471.db2.gz JSYGJJPIIMUTJU-AMKIGSDESA-N 0 0 560.672 6.173 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102687581 555007123 /nfs/dbraw/zinc/00/71/23/555007123.db2.gz BXCHBLDCHMCNFZ-MVSFAKPFSA-N 0 0 500.639 7.295 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000102688812 555007550 /nfs/dbraw/zinc/00/75/50/555007550.db2.gz PLULSVUPLGHWDT-HOFKKMOUSA-N 0 0 511.405 6.818 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102693037 555008844 /nfs/dbraw/zinc/00/88/44/555008844.db2.gz SCZVGXYOQQIGBT-QMMFTLRZSA-N 0 0 535.644 5.845 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102696871 555011255 /nfs/dbraw/zinc/01/12/55/555011255.db2.gz KQSYXPRPNDZGRI-NXLSWJSLSA-N 0 0 530.602 5.511 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697548 555011861 /nfs/dbraw/zinc/01/18/61/555011861.db2.gz STXHBVRJBCZUJP-NXLSWJSLSA-N 0 0 502.592 6.175 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102697939 555012087 /nfs/dbraw/zinc/01/20/87/555012087.db2.gz OLEMSOHTXRNPLD-UUALVTFQSA-N 0 0 501.579 5.041 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102701642 555013085 /nfs/dbraw/zinc/01/30/85/555013085.db2.gz KYNFAPBUWJPXCB-ZHHPLPSFSA-N 0 0 502.661 6.844 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702595 555013359 /nfs/dbraw/zinc/01/33/59/555013359.db2.gz WVOGIRCDXKFQRE-NPJIAGGLSA-N 0 0 533.049 6.926 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000102714187 555018068 /nfs/dbraw/zinc/01/80/68/555018068.db2.gz DIFPUCVAUUVULO-MIOXIQPJSA-N 0 0 539.584 5.806 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102715377 555018522 /nfs/dbraw/zinc/01/85/22/555018522.db2.gz MNCYBFSEIRDCCX-NPJIAGGLSA-N 0 0 500.595 6.748 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715429 555018632 /nfs/dbraw/zinc/01/86/32/555018632.db2.gz BVADPLZXZFIZOP-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102716833 555018767 /nfs/dbraw/zinc/01/87/67/555018767.db2.gz ZTGDUKRLTVXEGY-TXTDGAROSA-N 0 0 525.580 5.422 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102717100 555018845 /nfs/dbraw/zinc/01/88/45/555018845.db2.gz UCPJGJNKFWNIKT-SBXHHDGASA-N 0 0 500.620 6.684 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102718007 555019350 /nfs/dbraw/zinc/01/93/50/555019350.db2.gz ZCYYICGYHKKVJC-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102720409 555019882 /nfs/dbraw/zinc/01/98/82/555019882.db2.gz KERLYEUQDYHQQO-ZORLYMSLSA-N 0 0 532.640 6.714 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102722385 555020476 /nfs/dbraw/zinc/02/04/76/555020476.db2.gz BXOUXJGVUYHWIJ-AYWGPLOBSA-N 0 0 549.446 6.311 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)c1 ZINC000102723159 555020682 /nfs/dbraw/zinc/02/06/82/555020682.db2.gz NWPKOCYOKDYDSH-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN C=CC[C@H](C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCC(OCC)OCC)c1ccccc1 ZINC000102726803 555022115 /nfs/dbraw/zinc/02/21/15/555022115.db2.gz PUEYPILZMVVYRT-NRFANRHFSA-N 0 0 536.719 6.422 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102731177 555023714 /nfs/dbraw/zinc/02/37/14/555023714.db2.gz RFZCYXWEBPUVJR-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102732841 555024434 /nfs/dbraw/zinc/02/44/34/555024434.db2.gz SUSWHVQFGOLFJY-MIOXIQPJSA-N 0 0 521.617 5.591 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102734295 555024646 /nfs/dbraw/zinc/02/46/46/555024646.db2.gz WYAYWFLWUQXKEH-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735220 555025002 /nfs/dbraw/zinc/02/50/02/555025002.db2.gz SMVONXWOVPVOLR-QZDFLZESSA-N 0 0 531.608 6.211 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735340 555025295 /nfs/dbraw/zinc/02/52/95/555025295.db2.gz CUJXEWPWEASCPK-AYWGPLOBSA-N 0 0 504.995 6.147 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735330 555025349 /nfs/dbraw/zinc/02/53/49/555025349.db2.gz KJZXUQOPYIAIMO-RWMNMRIUSA-N 0 0 517.581 6.424 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735468 555025604 /nfs/dbraw/zinc/02/56/04/555025604.db2.gz KBNHGJJMAILFAX-RIEKNRFYSA-N 0 0 588.685 7.133 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735570 555025797 /nfs/dbraw/zinc/02/57/97/555025797.db2.gz NZKYDUXURDSEDY-BYHJQNISSA-N 0 0 588.685 7.655 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735541 555025848 /nfs/dbraw/zinc/02/58/48/555025848.db2.gz AKWSCRIRFNPPCA-NNZNMFTDSA-N 0 0 588.685 7.133 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737003 555026336 /nfs/dbraw/zinc/02/63/36/555026336.db2.gz QLUGADQCJFSLRD-ZTLVYLBESA-N 0 0 541.585 5.771 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771013 555059087 /nfs/dbraw/zinc/05/90/87/555059087.db2.gz VJMSMBROSDCHSE-BBHOXHGRSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771182 555059695 /nfs/dbraw/zinc/05/96/95/555059695.db2.gz ZOZYALPVZXONLJ-KWBQTAPJSA-N 0 0 512.587 5.568 50 30 KKEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000102771287 555060050 /nfs/dbraw/zinc/06/00/50/555060050.db2.gz SXLKKNQEXLJICU-OYRHEFFESA-N 0 0 581.642 6.967 50 30 KKEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000102771294 555060054 /nfs/dbraw/zinc/06/00/54/555060054.db2.gz SXLKKNQEXLJICU-NHCUHLMSSA-N 0 0 581.642 6.967 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccc(Br)cc32)cc1 ZINC000102772329 555061283 /nfs/dbraw/zinc/06/12/83/555061283.db2.gz UASGAIZLQDNPIP-IADYIPOJSA-N 0 0 555.429 5.002 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000102790201 555068809 /nfs/dbraw/zinc/06/88/09/555068809.db2.gz DRMKUZIJEHYCMW-ZQWAWDFXSA-N 0 0 591.590 9.218 50 30 KKEARN COc1cc(/C=C/C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc(Br)c1OC ZINC000102819907 555076554 /nfs/dbraw/zinc/07/65/54/555076554.db2.gz RTJWATJEIUNZHH-DHZHZOJOSA-N 0 0 535.350 5.779 50 30 KKEARN COc1cc(/C=C\C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc(Br)c1OC ZINC000102819903 555076665 /nfs/dbraw/zinc/07/66/65/555076665.db2.gz RTJWATJEIUNZHH-FLIBITNWSA-N 0 0 535.350 5.779 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000102857564 555088829 /nfs/dbraw/zinc/08/88/29/555088829.db2.gz XTIMGDZFAIIJQR-IUKMQXEJSA-N 0 0 501.539 5.099 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102857506 555088863 /nfs/dbraw/zinc/08/88/63/555088863.db2.gz BLCLCAWGIAPBMQ-CZNAVJSXSA-N 0 0 512.631 6.753 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102858037 555089252 /nfs/dbraw/zinc/08/92/52/555089252.db2.gz GBMHPYSFRVMDOW-KQAPWQHSSA-N 0 0 514.603 5.865 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858604 555089384 /nfs/dbraw/zinc/08/93/84/555089384.db2.gz QYUMPHVXVQYJHS-KQAPWQHSSA-N 0 0 560.628 5.574 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102858959 555089417 /nfs/dbraw/zinc/08/94/17/555089417.db2.gz WHGPOGYOGHLULS-UUALVTFQSA-N 0 0 516.594 5.151 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859273 555089698 /nfs/dbraw/zinc/08/96/98/555089698.db2.gz LZBGQOWQAMAEGA-UVDRRRQGSA-N 0 0 565.047 6.219 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102859115 555089800 /nfs/dbraw/zinc/08/98/00/555089800.db2.gz OUCYFDNNKRJVFA-YFVVEFNMSA-N 0 0 512.606 5.596 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102859647 555089993 /nfs/dbraw/zinc/08/99/93/555089993.db2.gz QEWZBVJYEAGQHX-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860506 555090509 /nfs/dbraw/zinc/09/05/09/555090509.db2.gz GQPQJAPXTCMWFU-JBCNATCCSA-N 0 0 522.598 5.691 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102861633 555092011 /nfs/dbraw/zinc/09/20/11/555092011.db2.gz BTVYLFUJDZSTIY-ONQGDUAMSA-N 0 0 546.620 5.073 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000102861706 555092020 /nfs/dbraw/zinc/09/20/20/555092020.db2.gz KCBAJBSCAGFSIB-CRICUBBOSA-N 0 0 548.458 7.957 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000102861703 555092027 /nfs/dbraw/zinc/09/20/27/555092027.db2.gz KCBAJBSCAGFSIB-SSOJOUAXSA-N 0 0 548.458 7.957 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C1=O)CCCC2 ZINC000102862251 555092137 /nfs/dbraw/zinc/09/21/37/555092137.db2.gz ZUISLRHBEHGXKF-YTFSRNRJSA-N 0 0 534.981 5.111 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862919 555092495 /nfs/dbraw/zinc/09/24/95/555092495.db2.gz WKVMJSURXHXLKT-AYWGPLOBSA-N 0 0 504.558 6.498 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102862480 555092526 /nfs/dbraw/zinc/09/25/26/555092526.db2.gz VTZGAQBTJGENKO-GYBOJBDRSA-N 0 0 555.671 6.108 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862900 555092562 /nfs/dbraw/zinc/09/25/62/555092562.db2.gz YVVDYSRPFIEOTM-AYWGPLOBSA-N 0 0 549.446 6.392 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102862761 555092586 /nfs/dbraw/zinc/09/25/86/555092586.db2.gz DOYAWPOMTUOPHU-WENCHWOGSA-N 0 0 541.644 6.210 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102862487 555092591 /nfs/dbraw/zinc/09/25/91/555092591.db2.gz VTZGAQBTJGENKO-VDBNUPDGSA-N 0 0 555.671 6.108 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862897 555092599 /nfs/dbraw/zinc/09/25/99/555092599.db2.gz YVVDYSRPFIEOTM-ZHHPLPSFSA-N 0 0 549.446 6.392 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102866809 555096130 /nfs/dbraw/zinc/09/61/30/555096130.db2.gz MBUDKLVJUMSIJL-CZNAVJSXSA-N 0 0 542.613 5.791 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102867208 555096680 /nfs/dbraw/zinc/09/66/80/555096680.db2.gz DDUQNSAIEBCUAE-IUKMQXEJSA-N 0 0 514.603 5.892 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102867818 555097377 /nfs/dbraw/zinc/09/73/77/555097377.db2.gz CTGVJCDZRFLDMC-TXTDGAROSA-N 0 0 529.589 5.267 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867956 555097417 /nfs/dbraw/zinc/09/74/17/555097417.db2.gz FQJIQSAXMSOJLR-GMBUILNLSA-N 0 0 533.005 5.908 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000102868554 555097919 /nfs/dbraw/zinc/09/79/19/555097919.db2.gz JKDKXOHPUDDMIF-NHKHRBQYSA-N 0 0 567.513 7.784 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869375 555098873 /nfs/dbraw/zinc/09/88/73/555098873.db2.gz DIIWPGNAYVFXFS-SASZYUHJSA-N 0 0 554.668 6.652 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869848 555099466 /nfs/dbraw/zinc/09/94/66/555099466.db2.gz KJLZSQLRWLCGBZ-FLJNSMSWSA-N 0 0 600.693 6.442 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102870424 555100660 /nfs/dbraw/zinc/10/06/60/555100660.db2.gz RVYPRPHDPFCKPS-TXTDGAROSA-N 0 0 552.587 5.191 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870702 555100960 /nfs/dbraw/zinc/10/09/60/555100960.db2.gz YEOGAGWOQUCRTC-DNNDWWBDSA-N 0 0 568.695 7.123 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000102872811 555103481 /nfs/dbraw/zinc/10/34/81/555103481.db2.gz DGFNFDNWWLJHGS-PLQDCEFPSA-N 0 0 569.698 6.498 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102873783 555103973 /nfs/dbraw/zinc/10/39/73/555103973.db2.gz FTBNTIIKMNGNMJ-NXLSWJSLSA-N 0 0 500.595 6.668 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102874635 555104803 /nfs/dbraw/zinc/10/48/03/555104803.db2.gz MMZGIJOLZNTJPU-ZZIWUOEGSA-N 0 0 512.587 5.634 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102876773 555106616 /nfs/dbraw/zinc/10/66/16/555106616.db2.gz LPTNFCINNYWTFO-AYWGPLOBSA-N 0 0 504.995 6.283 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1 ZINC000102882845 555111089 /nfs/dbraw/zinc/11/10/89/555111089.db2.gz LBULNIIRFPJULS-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883488 555112005 /nfs/dbraw/zinc/11/20/05/555112005.db2.gz SHHLDHWGMTTXOK-IELVGPENSA-N 0 0 542.613 5.577 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102883576 555112026 /nfs/dbraw/zinc/11/20/26/555112026.db2.gz BVUNJQPBQMAWIU-MIOXIQPJSA-N 0 0 558.631 5.442 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883548 555112094 /nfs/dbraw/zinc/11/20/94/555112094.db2.gz NELUYDHZVSZAKH-XTUFCYCQSA-N 0 0 604.725 6.572 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883844 555112355 /nfs/dbraw/zinc/11/23/55/555112355.db2.gz NTUXJUUDVICZJN-JRPVAJNPSA-N 0 0 530.577 5.784 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102884073 555112924 /nfs/dbraw/zinc/11/29/24/555112924.db2.gz YKXGSYVEAFJMHI-ZORLYMSLSA-N 0 0 578.621 5.452 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102884350 555113158 /nfs/dbraw/zinc/11/31/58/555113158.db2.gz LJGAGEOLJCPNAX-CJJGVWJISA-N 0 0 574.655 5.910 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102884428 555113448 /nfs/dbraw/zinc/11/34/48/555113448.db2.gz MZDZAEGFFWFTKN-ONQGDUAMSA-N 0 0 556.640 6.216 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102884664 555114201 /nfs/dbraw/zinc/11/42/01/555114201.db2.gz XVHXNBYDRSZXMT-NPJIAGGLSA-N 0 0 560.628 5.574 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884716 555114250 /nfs/dbraw/zinc/11/42/50/555114250.db2.gz VQPAIFMERJYVAN-IZSGBISHSA-N 0 0 614.720 6.688 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884797 555114519 /nfs/dbraw/zinc/11/45/19/555114519.db2.gz RVRONKCYPLHIOQ-IKZPYDRGSA-N 0 0 556.640 5.962 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885011 555114812 /nfs/dbraw/zinc/11/48/12/555114812.db2.gz ITTVUIGMSANNNE-TVXPFAQOSA-N 0 0 526.614 5.953 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885404 555115476 /nfs/dbraw/zinc/11/54/76/555115476.db2.gz IAHZHVVUXNSECS-CGKJMNDRSA-N 0 0 531.033 6.462 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886254 555116597 /nfs/dbraw/zinc/11/65/97/555116597.db2.gz SSSVFQUORNPMHA-CWMDRHISSA-N 0 0 572.639 5.749 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886338 555117022 /nfs/dbraw/zinc/11/70/22/555117022.db2.gz LVUDUIBMLLOXQG-UJWLLDLUSA-N 0 0 570.623 5.431 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886753 555117350 /nfs/dbraw/zinc/11/73/50/555117350.db2.gz KGCFTELPXKBUHC-VDGASQMCSA-N 0 0 614.720 6.832 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887081 555118238 /nfs/dbraw/zinc/11/82/38/555118238.db2.gz HTWZZAUQHVPKSQ-QMMFTLRZSA-N 0 0 606.656 6.281 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887350 555119167 /nfs/dbraw/zinc/11/91/67/555119167.db2.gz AIDHPMBPRMNHNY-NXLSVDECSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102887453 555119199 /nfs/dbraw/zinc/11/91/99/555119199.db2.gz ZMONTDBKYYBJCT-TXTDGAROSA-N 0 0 547.604 5.640 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887690 555119926 /nfs/dbraw/zinc/11/99/26/555119926.db2.gz LSAJQMLXYKRABR-GBIFRDBCSA-N 0 0 619.139 7.477 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102888025 555120547 /nfs/dbraw/zinc/12/05/47/555120547.db2.gz CFTBKIBHYFLMNQ-AHPONGEQSA-N 0 0 594.749 8.212 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888075 555120684 /nfs/dbraw/zinc/12/06/84/555120684.db2.gz RULBUNOIEMKQIE-JRPVAJNPSA-N 0 0 528.586 5.263 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102888135 555120803 /nfs/dbraw/zinc/12/08/03/555120803.db2.gz UWQPFFXHYFDPDP-WGGXKBPPSA-N 0 0 520.585 5.600 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102888234 555121207 /nfs/dbraw/zinc/12/12/07/555121207.db2.gz FTRYHJRPKQUPAD-TXTDGAROSA-N 0 0 586.666 6.190 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102888896 555122590 /nfs/dbraw/zinc/12/25/90/555122590.db2.gz QEOOZWFBMALVEM-MIOXIQPJSA-N 0 0 522.601 5.855 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888962 555122781 /nfs/dbraw/zinc/12/27/81/555122781.db2.gz KNSUYLYMJSHKMK-BGJULJLKSA-N 0 0 532.618 5.311 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889050 555122937 /nfs/dbraw/zinc/12/29/37/555122937.db2.gz QTAVQNLQKPLJCM-OBOIKQQTSA-N 0 0 526.614 5.871 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102889339 555123430 /nfs/dbraw/zinc/12/34/30/555123430.db2.gz UNUYQWUPBJAYPZ-QMMFTLRZSA-N 0 0 534.612 5.990 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889277 555123508 /nfs/dbraw/zinc/12/35/08/555123508.db2.gz MHUWGQHKFKZRAO-LXIOPLLASA-N 0 0 563.031 6.004 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102889821 555124424 /nfs/dbraw/zinc/12/44/24/555124424.db2.gz PHRDDWPSSRJDNT-GMBUILNLSA-N 0 0 516.550 5.394 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889902 555124476 /nfs/dbraw/zinc/12/44/76/555124476.db2.gz JDKNVKNBCXBXAQ-MIOXIQPJSA-N 0 0 616.692 6.280 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890261 555125268 /nfs/dbraw/zinc/12/52/68/555125268.db2.gz LMFXTJDJEBKINU-LHKMDIPOSA-N 0 0 584.694 6.680 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890458 555125617 /nfs/dbraw/zinc/12/56/17/555125617.db2.gz UKKOBJPOODBOAY-IZSGBISHSA-N 0 0 633.166 7.867 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890807 555126162 /nfs/dbraw/zinc/12/61/62/555126162.db2.gz USCHGNKNXKGUAN-VDGASQMCSA-N 0 0 616.711 7.353 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102891455 555127039 /nfs/dbraw/zinc/12/70/39/555127039.db2.gz CNZPIFYMDNJTKV-OFNYXUPYSA-N 0 0 554.668 6.552 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(I)cc1 ZINC000102891893 555128174 /nfs/dbraw/zinc/12/81/74/555128174.db2.gz ZKWIGURENOBPLT-SDHSZQHLSA-N 0 0 561.810 6.229 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892397 555128701 /nfs/dbraw/zinc/12/87/01/555128701.db2.gz OEQHJPVULFMRLI-FBBHDAPUSA-N 0 0 621.509 6.340 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892874 555129349 /nfs/dbraw/zinc/12/93/49/555129349.db2.gz VNCGHDCBSOLKHM-QMMFTLRZSA-N 0 0 606.656 6.281 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893000 555129675 /nfs/dbraw/zinc/12/96/75/555129675.db2.gz YXDGQACNXSIEDZ-LOOKCOSASA-N 0 0 610.688 6.157 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102893186 555130158 /nfs/dbraw/zinc/13/01/58/555130158.db2.gz GLETXCMCSXTTAP-XMMCBNBESA-N 0 0 582.722 7.432 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102893188 555130184 /nfs/dbraw/zinc/13/01/84/555130184.db2.gz GLETXCMCSXTTAP-SMLVDECESA-N 0 0 582.722 7.432 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102893183 555130206 /nfs/dbraw/zinc/13/02/06/555130206.db2.gz GLETXCMCSXTTAP-UVBGKEGMSA-N 0 0 582.722 7.432 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102893351 555130773 /nfs/dbraw/zinc/13/07/73/555130773.db2.gz KDZFHYFJGVVDAV-VXJPNWOUSA-N 0 0 542.632 5.605 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102893521 555131075 /nfs/dbraw/zinc/13/10/75/555131075.db2.gz XKISSRLHRYJTHY-KBNMONRCSA-N 0 0 576.649 6.005 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893494 555131104 /nfs/dbraw/zinc/13/11/04/555131104.db2.gz XRBQOEPPYRKIIV-YELMDPSYSA-N 0 0 573.690 5.686 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893712 555131281 /nfs/dbraw/zinc/13/12/81/555131281.db2.gz YUCYMIYCGJHQTR-TXTDGAROSA-N 0 0 586.666 6.271 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893710 555131422 /nfs/dbraw/zinc/13/14/22/555131422.db2.gz YUCYMIYCGJHQTR-DFXXOVSGSA-N 0 0 586.666 6.271 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102893778 555131573 /nfs/dbraw/zinc/13/15/73/555131573.db2.gz HCYKITXKKVQGDS-ZCCBWQDPSA-N 0 0 569.698 6.642 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102894050 555131972 /nfs/dbraw/zinc/13/19/72/555131972.db2.gz OOJUSOSFNQABBB-ZORLYMSLSA-N 0 0 578.750 8.506 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894490 555132472 /nfs/dbraw/zinc/13/24/72/555132472.db2.gz YIUZNRZUZKVLPF-MIOXIQPJSA-N 0 0 600.693 6.662 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894685 555132804 /nfs/dbraw/zinc/13/28/04/555132804.db2.gz LFAKLNLXGLNMGT-JRPVAJNPSA-N 0 0 547.032 6.298 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894807 555133219 /nfs/dbraw/zinc/13/32/19/555133219.db2.gz FUMLLSFZGQGDBO-WATAJRNESA-N 0 0 612.748 7.440 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102895075 555133436 /nfs/dbraw/zinc/13/34/36/555133436.db2.gz NZYDLQKSNSPOQO-QMMFTLRZSA-N 0 0 550.659 5.349 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102895106 555133751 /nfs/dbraw/zinc/13/37/51/555133751.db2.gz CPQMUEKBRGUSDX-ZORLYMSLSA-N 0 0 532.640 6.714 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895314 555134130 /nfs/dbraw/zinc/13/41/30/555134130.db2.gz OJPSBTBQVLNYDP-HYVCFMKYSA-N 0 0 584.694 6.742 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102895486 555134703 /nfs/dbraw/zinc/13/47/03/555134703.db2.gz PEHVTWJHWLCKCV-MIOXIQPJSA-N 0 0 543.616 5.513 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895504 555134745 /nfs/dbraw/zinc/13/47/45/555134745.db2.gz OAECDOKJNVCFPT-NPJIAGGLSA-N 0 0 544.585 5.101 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102895975 555135513 /nfs/dbraw/zinc/13/55/13/555135513.db2.gz SJQULERKCMGNBU-QKJBWNOYSA-N 0 0 530.602 5.652 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102896345 555136259 /nfs/dbraw/zinc/13/62/59/555136259.db2.gz KWZMVWQQDQPJFF-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102896347 555136266 /nfs/dbraw/zinc/13/62/66/555136266.db2.gz KWZMVWQQDQPJFF-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896556 555136648 /nfs/dbraw/zinc/13/66/48/555136648.db2.gz NFRFIHANKJLNQM-QZDFLZESSA-N 0 0 579.653 5.306 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102898211 555138223 /nfs/dbraw/zinc/13/82/23/555138223.db2.gz QMUIXTXCYBZYPR-UVDRRRQGSA-N 0 0 563.473 6.619 50 30 KKEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 ZINC000102915846 555144023 /nfs/dbraw/zinc/14/40/23/555144023.db2.gz XGROPBMXHKORDU-UHFFFAOYSA-N 0 0 529.437 6.742 50 30 KKEARN CC(=O)Nc1cccc(NC(=O)CNc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000102924822 555148962 /nfs/dbraw/zinc/14/89/62/555148962.db2.gz OTATYILUPJPYHX-UHFFFAOYSA-N 0 0 528.406 5.486 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102926579 555151151 /nfs/dbraw/zinc/15/11/51/555151151.db2.gz SWLUDBSUGORAAX-ZLYDLHQSSA-N 0 0 523.626 5.046 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102926805 555151476 /nfs/dbraw/zinc/15/14/76/555151476.db2.gz LRTWRWXHGWMXLX-VXJPNWOUSA-N 0 0 527.617 5.819 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102929281 555154952 /nfs/dbraw/zinc/15/49/52/555154952.db2.gz FRPLFMHWVWRSEH-QNIVJUIWSA-N 0 0 564.432 5.151 50 30 KKEARN CCCCc1ccc(NC(=O)c2c(N)c(C(=O)Nc3ccccc3C#N)sc2Nc2ccccc2OC)cc1 ZINC000102929770 555155827 /nfs/dbraw/zinc/15/58/27/555155827.db2.gz NRQGULFJZISVAO-HHHXNRCGSA-N 0 0 539.661 5.946 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102929805 555155831 /nfs/dbraw/zinc/15/58/31/555155831.db2.gz PRRDEDAHGJPFTO-UUALVTFQSA-N 0 0 516.594 5.208 50 30 KKEARN N#Cc1ccccc1NC(=O)c1sc(NCc2ccccc2)c(C(=O)Nc2cc(Cl)ccc2Cl)c1N ZINC000102930210 555156667 /nfs/dbraw/zinc/15/66/67/555156667.db2.gz ZTVSFEMMRBMDEO-HSZRJFAPSA-N 0 0 536.444 5.579 50 30 KKEARN N#C[C@@H](c1nc2ccccc2nc1N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1)S(=O)(=O)c1ccccc1 ZINC000102931169 555158680 /nfs/dbraw/zinc/15/86/80/555158680.db2.gz MTAVSQLFPMDXBX-SDZHOWIXSA-N 0 0 579.726 5.291 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102934901 555162040 /nfs/dbraw/zinc/16/20/40/555162040.db2.gz FAGMWUHKXRGLDI-KBNMONRCSA-N 0 0 576.649 6.005 50 30 KKEARN COc1cc([C@H]2c3c(C)nn(-c4cc(C(F)(F)F)ccc4Cl)c3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000102936138 555163681 /nfs/dbraw/zinc/16/36/81/555163681.db2.gz UMHKNOXFGCUHEA-LJAQVGFWSA-N 0 0 594.033 8.005 50 30 KKEARN CCOc1ccc(Br)cc1S(=O)(=O)/N=C(/Sc1ccc(Cl)cc1)c1ccccc1 ZINC000102938283 555166519 /nfs/dbraw/zinc/16/65/19/555166519.db2.gz QOIXFJJWCRJCQS-DARPEHSRSA-N 0 0 510.862 6.429 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3c4c(C)nn(-c5ccccc5)c4NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000102938612 555167192 /nfs/dbraw/zinc/16/71/92/555167192.db2.gz LZBSQKRYVJVGSH-WJOKGBTCSA-N 0 0 584.742 6.672 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)/N=C2/C=C/C(=N/S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 ZINC000102938922 555167463 /nfs/dbraw/zinc/16/74/63/555167463.db2.gz GLIWVZKCUXEUDY-YDWWYXFJSA-N 0 0 548.730 6.207 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940320 555168817 /nfs/dbraw/zinc/16/88/17/555168817.db2.gz YPLCXMRKMBMEFI-LDLOPFEMSA-N 0 0 615.404 5.259 50 30 KKEARN Cc1c(Sc2ccc(F)cc2)c2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000102941747 555170039 /nfs/dbraw/zinc/17/00/39/555170039.db2.gz FHENTUJRORYGRS-URGPHPNLSA-N 0 0 500.620 6.764 50 30 KKEARN O=C(c1ccccc1)C(C(=O)c1ccccc1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000102964806 555179920 /nfs/dbraw/zinc/17/99/20/555179920.db2.gz ZYVLBBLZTOZLTI-QPLCGJKRSA-N 0 0 505.979 6.156 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc(Br)c1O ZINC000102970837 555181427 /nfs/dbraw/zinc/18/14/27/555181427.db2.gz SXZQTZGACYKCGH-GEMWTQJRSA-N 0 0 524.205 5.860 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102972950 555182808 /nfs/dbraw/zinc/18/28/08/555182808.db2.gz NHMNUJPQHOBVOI-RSXGOPAZSA-N 0 0 570.281 7.027 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C1CCCCC1 ZINC000102991181 555192477 /nfs/dbraw/zinc/19/24/77/555192477.db2.gz MNTQIHIKNURQDE-UHFFFAOYSA-N 0 0 500.724 7.246 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1 ZINC000102991989 555192993 /nfs/dbraw/zinc/19/29/93/555192993.db2.gz SJTQMSGQIFUJKR-UHFFFAOYSA-N 0 0 585.811 5.476 50 30 KKEARN CCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000102992729 555193192 /nfs/dbraw/zinc/19/31/92/555193192.db2.gz HATRMNYAKSRJNG-OAQYLSRUSA-N 0 0 529.504 5.994 50 30 KKEARN CCCCCCCC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(C)c2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000102992987 555193472 /nfs/dbraw/zinc/19/34/72/555193472.db2.gz FLSNYAYAMKATTQ-LJAQVGFWSA-N 0 0 571.747 7.537 50 30 KKEARN CCCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000102993532 555193725 /nfs/dbraw/zinc/19/37/25/555193725.db2.gz ZMSKYEKMHMTLMB-UHFFFAOYSA-N 0 0 560.714 6.390 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@@H](C)CC ZINC000102995482 555194999 /nfs/dbraw/zinc/19/49/99/555194999.db2.gz LZPGGPASGACPGF-DEOSSOPVSA-N 0 0 514.707 6.246 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000102996173 555195772 /nfs/dbraw/zinc/19/57/72/555195772.db2.gz MVJACUNDDPARPO-MNNSJKJDSA-N 0 0 513.723 5.645 50 30 KKEARN CCCCCCCCC(=O)N1CCN(c2nc(CCC(C)C)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102996103 555195833 /nfs/dbraw/zinc/19/58/33/555195833.db2.gz AYDKFUQONQCLFC-UHFFFAOYSA-N 0 0 525.141 6.457 50 30 KKEARN CCCCCCCCCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000102997831 555197109 /nfs/dbraw/zinc/19/71/09/555197109.db2.gz HDRHPJUYQGSPFW-UHFFFAOYSA-N 0 0 565.654 7.736 50 30 KKEARN CCCCCCCCCC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000102997834 555197148 /nfs/dbraw/zinc/19/71/48/555197148.db2.gz JLQVEKVVYYWCBL-UHFFFAOYSA-N 0 0 515.647 6.856 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000102999628 555199272 /nfs/dbraw/zinc/19/92/72/555199272.db2.gz NDJSDFMPUJYEMN-UHFFFAOYSA-N 0 0 539.761 5.890 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000102999890 555199786 /nfs/dbraw/zinc/19/97/86/555199786.db2.gz OGBMAHLXRJCJGY-HKBQPEDESA-N 0 0 523.787 6.287 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000103000114 555200057 /nfs/dbraw/zinc/20/00/57/555200057.db2.gz ZTKGSWXKEARIDU-OAHLLOKOSA-N 0 0 602.323 6.866 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000103000629 555200525 /nfs/dbraw/zinc/20/05/25/555200525.db2.gz UJIHPMMXYDTXMR-GDLZYMKVSA-N 0 0 598.850 7.714 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(SC)cc3)co2)CC1 ZINC000103000769 555200802 /nfs/dbraw/zinc/20/08/02/555200802.db2.gz QORAQOXCSYSTJV-UHFFFAOYSA-N 0 0 556.813 7.286 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)ccc1Cl ZINC000103008401 555205261 /nfs/dbraw/zinc/20/52/61/555205261.db2.gz XRQBFKUZIAKRBP-UHFFFAOYSA-N 0 0 615.029 7.900 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000103009794 555205791 /nfs/dbraw/zinc/20/57/91/555205791.db2.gz WBNUCMRLEYQNKV-ICDZXHCJSA-N 0 0 594.561 5.592 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010674 555205891 /nfs/dbraw/zinc/20/58/91/555205891.db2.gz UWJOIWMHWFMGHW-QLBJFCOMSA-N 0 0 577.464 5.740 50 30 KKEARN CCCCCCCCc1ccc(C(=O)N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)co3)CC2)cc1 ZINC000103014016 555208008 /nfs/dbraw/zinc/20/80/08/555208008.db2.gz KKHYRNSYYIYLIG-UHFFFAOYSA-N 0 0 534.672 6.219 50 30 KKEARN CCCCCCCC(=O)c1ccc(OC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC000103014845 555208529 /nfs/dbraw/zinc/20/85/29/555208529.db2.gz WPLAFQWOCLSICJ-LKUDQCMESA-N 0 0 500.624 6.549 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015359 555208652 /nfs/dbraw/zinc/20/86/52/555208652.db2.gz XCTHBCGREULSSM-GKBBYZSKSA-N 0 0 609.119 6.376 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103015333 555208674 /nfs/dbraw/zinc/20/86/74/555208674.db2.gz YCLXLRHBBSQOFU-QTLGCAHFSA-N 0 0 623.634 5.462 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015348 555208679 /nfs/dbraw/zinc/20/86/79/555208679.db2.gz INORCXNPXLUGOT-GKBBYZSKSA-N 0 0 619.671 5.631 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000103015089 555208693 /nfs/dbraw/zinc/20/86/93/555208693.db2.gz FXKPTJJSKILMRH-TUACAJSNSA-N 0 0 611.642 5.689 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103014935 555208699 /nfs/dbraw/zinc/20/86/99/555208699.db2.gz GPVHZZXSRMWFEX-UKDVSSAZSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015369 555208922 /nfs/dbraw/zinc/20/89/22/555208922.db2.gz RILZZGVHNQZOGO-AFWDCEBSSA-N 0 0 609.119 6.376 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015822 555209193 /nfs/dbraw/zinc/20/91/93/555209193.db2.gz FNTWPCWWNMIDFF-NQHRYMMQSA-N 0 0 578.637 5.554 50 30 KKEARN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000103016275 555209381 /nfs/dbraw/zinc/20/93/81/555209381.db2.gz WQIXOSRMTHSTOL-RDGATRHJSA-N 0 0 546.451 5.888 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCC(c3cn(Cc4cccc(F)c4)c4ccccc34)CC2)cc1 ZINC000103016936 555209868 /nfs/dbraw/zinc/20/98/68/555209868.db2.gz IUUGJPPRVOFCRE-UHFFFAOYSA-N 0 0 526.696 8.198 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103020055 555211465 /nfs/dbraw/zinc/21/14/65/555211465.db2.gz QAWYUOCVJHAAAT-UDCNLSRBSA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022723 555213521 /nfs/dbraw/zinc/21/35/21/555213521.db2.gz KBVIOFPXHFHKMA-HNPLUWAHSA-N 0 0 564.059 6.149 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022734 555213703 /nfs/dbraw/zinc/21/37/03/555213703.db2.gz CYJRWCWVWDZWNL-JVAFGIKQSA-N 0 0 583.584 6.206 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103024047 555214531 /nfs/dbraw/zinc/21/45/31/555214531.db2.gz BYGMAEJJPWIKOR-UDCNLSRBSA-N 0 0 584.572 6.386 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103024054 555214535 /nfs/dbraw/zinc/21/45/35/555214535.db2.gz BYGMAEJJPWIKOR-MVYHEMRASA-N 0 0 584.572 6.386 50 30 KKEARN CCCCCCn1c2ccccc2nc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000103031773 555219492 /nfs/dbraw/zinc/21/94/92/555219492.db2.gz LNZXAVPWZQCSNW-BHAXEAAHSA-N 0 0 525.700 8.723 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000103064314 555244926 /nfs/dbraw/zinc/24/49/26/555244926.db2.gz CNPAJHACQVSKQT-YJYMSZOUSA-N 0 0 524.952 5.768 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)COc2c(Br)cc(C=NNc3cccc(C)c3)cc2OC)cc1 ZINC000103069159 555249911 /nfs/dbraw/zinc/24/99/11/555249911.db2.gz QUUBKMKMRROUBL-MBTHVWNTSA-N 0 0 540.414 5.406 50 30 KKEARN CCCCCCCCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000103070025 555250912 /nfs/dbraw/zinc/25/09/12/555250912.db2.gz SWPCYXRQVPCOQF-HXUWFJFHSA-N 0 0 539.767 7.019 50 30 KKEARN 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O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103398148 555384643 /nfs/dbraw/zinc/38/46/43/555384643.db2.gz TVKOTGZKTLRWCK-FQEVSTJZSA-N 0 0 544.417 8.385 50 30 KKEARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103398150 555384657 /nfs/dbraw/zinc/38/46/57/555384657.db2.gz TVKOTGZKTLRWCK-HXUWFJFHSA-N 0 0 544.417 8.385 50 30 KKEARN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000103448205 555420518 /nfs/dbraw/zinc/42/05/18/555420518.db2.gz WGFSZBNVTCCMFU-WCMJOSRZSA-N 0 0 512.506 7.981 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103512951 555422301 /nfs/dbraw/zinc/42/23/01/555422301.db2.gz XIZNUTPRUXDUDV-KEVKATSASA-N 0 0 543.406 5.371 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C2CCCCC2)cc1 ZINC000103707610 555464480 /nfs/dbraw/zinc/46/44/80/555464480.db2.gz RCIFZIRRJDCQJW-GEZLPURSSA-N 0 0 501.608 7.354 50 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COc1ccc(C=CC(=O)[C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc3[C@H]2c2ccccc2)c(Br)c1OC ZINC000103862063 571367565 /nfs/dbraw/zinc/36/75/65/571367565.db2.gz OSUJTIBCMPTRBQ-UMRGQETESA-N 0 0 537.366 5.357 50 30 KKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000103958185 571370458 /nfs/dbraw/zinc/37/04/58/571370458.db2.gz MYPCADHMPOBNPS-OAQYLSRUSA-N 0 0 520.382 7.707 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000104022289 571371355 /nfs/dbraw/zinc/37/13/55/571371355.db2.gz FHGROPFMYCSDIE-GDLZYMKVSA-N 0 0 556.584 8.325 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000104145592 571374938 /nfs/dbraw/zinc/37/49/38/571374938.db2.gz RCOPXECDKHWPMT-NRFANRHFSA-N 0 0 539.888 7.429 50 30 KKEARN Cc1ccc([C@H]2c3ccccc3OC(c3ccccc3)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000104203320 571376845 /nfs/dbraw/zinc/37/68/45/571376845.db2.gz JOWZIVQUXPHWIV-INQTWUCUSA-N 0 0 506.518 6.845 50 30 KKEARN Nc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(N)c([N+](=O)[O-])c4)c(F)c3F)c(F)c2F)cc1[N+](=O)[O-] ZINC000104213321 571376996 /nfs/dbraw/zinc/37/69/96/571376996.db2.gz JYRCYWXQCOSCRJ-UHFFFAOYSA-N 0 0 602.350 7.032 50 30 KKEARN O=C(Cc1ccccc1)ON[C@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl ZINC000104264015 571378068 /nfs/dbraw/zinc/37/80/68/571378068.db2.gz JHJSESOUCCBXPN-HHHXNRCGSA-N 0 0 540.874 6.982 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H]2CC=C3CC[C@@H]([C@@H](OCOC)C(=O)[C@@H]2C)C3(C)C)COC(C)(C)O1 ZINC000104311144 571378818 /nfs/dbraw/zinc/37/88/18/571378818.db2.gz BXHIVACEXVISNH-MINGVMDBSA-N 0 0 542.713 5.865 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000104518288 571381388 /nfs/dbraw/zinc/38/13/88/571381388.db2.gz QDTRDPZSXNJLTM-UHFFFAOYSA-N 0 0 561.622 6.029 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000104755052 571385780 /nfs/dbraw/zinc/38/57/80/571385780.db2.gz ONCPIFPNHPMOAO-UYDITSSVSA-N 0 0 551.705 5.768 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000105262262 571392460 /nfs/dbraw/zinc/39/24/60/571392460.db2.gz RBVUIWVCLSYSBF-DJZLXDFDSA-N 0 0 544.642 7.589 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000105262269 571392476 /nfs/dbraw/zinc/39/24/76/571392476.db2.gz RBVUIWVCLSYSBF-IYHSUMAOSA-N 0 0 544.642 7.589 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000105393999 571404588 /nfs/dbraw/zinc/40/45/88/571404588.db2.gz XDBWKDUTRLZKNC-QQXSKIMKSA-N 0 0 609.498 7.300 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5C(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877403 571409044 /nfs/dbraw/zinc/40/90/44/571409044.db2.gz JYGNIQLFOUTDMS-KYHNACEBSA-N 0 0 596.818 10.158 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5csc6c5CCCC6)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877451 571409142 /nfs/dbraw/zinc/40/91/42/571409142.db2.gz UDBOTRYHRCSBNV-MWFOUNECSA-N 0 0 588.942 10.080 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccc6ccccc56)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877454 571409203 /nfs/dbraw/zinc/40/92/03/571409203.db2.gz UNJNXOBPRSHCNU-HZDPWRHGSA-N 0 0 578.881 10.293 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5OC(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877426 571409211 /nfs/dbraw/zinc/40/92/11/571409211.db2.gz SNCPPULGVLFYCZ-NZYRHWRASA-N 0 0 612.817 10.038 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000105964170 571409544 /nfs/dbraw/zinc/40/95/44/571409544.db2.gz NCGNYBIRBMYESN-XODNFHPESA-N 0 0 554.401 5.503 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000105979349 571409647 /nfs/dbraw/zinc/40/96/47/571409647.db2.gz UWMWIUKAAPOIJT-FMCGGJTJSA-N 0 0 580.416 6.053 50 30 KKEARN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000105979078 571409680 /nfs/dbraw/zinc/40/96/80/571409680.db2.gz WXXWUVMVMXEECF-UQQQWYQISA-N 0 0 566.542 7.561 50 30 KKEARN COc1ccc([C@H]2c3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000105982946 571409894 /nfs/dbraw/zinc/40/98/94/571409894.db2.gz FUPZGKBNDSVZHX-HXUWFJFHSA-N 0 0 527.473 7.077 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](O)c1ccccc1 ZINC000106412455 571412518 /nfs/dbraw/zinc/41/25/18/571412518.db2.gz OQQSVTLTTRZWEV-ROJLCIKYSA-N 0 0 567.792 7.465 50 30 KKEARN CCCCCCCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449924 571425031 /nfs/dbraw/zinc/42/50/31/571425031.db2.gz QSRQXCRHDWNLLQ-CPJSRVTESA-N 0 0 567.727 5.140 50 30 biogenic KKEARN CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)S/C1=N\c1ccc(N(C)C)cc1 ZINC000108468174 571425854 /nfs/dbraw/zinc/42/58/54/571425854.db2.gz JUGNUYJZHROKKZ-DXLWRZONSA-N 0 0 548.030 7.945 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000108873251 571426892 /nfs/dbraw/zinc/42/68/92/571426892.db2.gz XZPJHJGKXZKNSO-FMCGGJTJSA-N 0 0 567.505 6.471 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc(-c5ccccc5)cc(-c5cccc(F)c5)c4c3N)c2)cc1 ZINC000113480399 571438817 /nfs/dbraw/zinc/43/88/17/571438817.db2.gz UXTXROIQBHYMNY-KNTRCKAVSA-N 0 0 611.742 9.623 50 30 KKEARN Nc1c2ccc(-c3ccc(Cl)cc3Cl)nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113561454 571440111 /nfs/dbraw/zinc/44/01/11/571440111.db2.gz MSFYQAPUAVSAFT-XYOKQWHBSA-N 0 0 550.492 8.062 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)c12 ZINC000113561457 571440118 /nfs/dbraw/zinc/44/01/18/571440118.db2.gz PQGPEBHWFSNYGX-FOCLMDBBSA-N 0 0 610.135 9.215 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C1=O)C[C@@H](c1ccccc1)CC2 ZINC000113561573 571440230 /nfs/dbraw/zinc/44/02/30/571440230.db2.gz FKQNAYNHSDBEKJ-KMRXNPHXSA-N 0 0 578.719 6.960 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(-c3cccc(F)c3)c12 ZINC000113561798 571440310 /nfs/dbraw/zinc/44/03/10/571440310.db2.gz SFNDCLYFLMNIHK-FOCLMDBBSA-N 0 0 575.690 8.562 50 30 KKEARN Cc1cccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113563863 571440626 /nfs/dbraw/zinc/44/06/26/571440626.db2.gz WJXYMTVGUHGVQM-IKPXGLPCSA-N 0 0 585.754 8.673 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113564322 571440745 /nfs/dbraw/zinc/44/07/45/571440745.db2.gz UYYKUNPUAVKZBL-CHGQMLAJSA-N 0 0 585.751 5.059 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)c(Cl)c1 ZINC000136978535 571449916 /nfs/dbraw/zinc/44/99/16/571449916.db2.gz PGKXPMYFWUNBNG-GDLZYMKVSA-N 0 0 562.041 6.377 50 30 KKEARN CCOC(=O)/C=C1\C[C@]2(C)[C@H]3CC[C@H]4[C@@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C(C)(C)C1=O ZINC000137171922 571450256 /nfs/dbraw/zinc/45/02/56/571450256.db2.gz SUNGIAGTTRIRSA-CLSVSWDXSA-N 0 0 524.786 7.545 50 30 KKEARN Cc1ccc(C)c(OCCn2cc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCC4)C3=O)c3ccccc32)c1 ZINC000139553780 571453213 /nfs/dbraw/zinc/45/32/13/571453213.db2.gz BZEFCRKIENISPM-NWMGRTOXSA-N 0 0 535.713 7.884 50 30 KKEARN FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I)C(F)(F)F ZINC000150344065 571459198 /nfs/dbraw/zinc/45/91/98/571459198.db2.gz DQVDKUNLKZLJJV-UHFFFAOYSA-N 0 0 711.978 8.226 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C1=O)CCCC2 ZINC000143275383 571456375 /nfs/dbraw/zinc/45/63/75/571456375.db2.gz ZUISLRHBEHGXKF-XPWALMASSA-N 0 0 534.981 5.111 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150343729 571459117 /nfs/dbraw/zinc/45/91/17/571459117.db2.gz IVWMVBZXKIOILW-MDZRLIFHSA-N 0 0 648.106 6.689 50 30 KKEARN CCOC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344538 571459373 /nfs/dbraw/zinc/45/93/73/571459373.db2.gz XYGOQNSELKBBSL-JHYUDYDFSA-N 0 0 690.143 7.260 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CN[C@@H](C)c1ccccc1)C(=O)C(=O)C3C(C)C)C(=CN[C@@H](C)c1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150346942 571460758 /nfs/dbraw/zinc/46/07/58/571460758.db2.gz QZMZXIWBPGRBOD-GDXVNCRLSA-N 0 0 724.898 9.781 50 30 biogenic KKEARN COc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000150347864 571460854 /nfs/dbraw/zinc/46/08/54/571460854.db2.gz IGSZIUAPWUQEJL-LGJNPRDNSA-N 0 0 708.258 5.931 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150347722 571460870 /nfs/dbraw/zinc/46/08/70/571460870.db2.gz FTLIVFJKISSELN-UHFFFAOYSA-N 0 0 781.163 9.324 50 30 KKEARN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1 ZINC000150347910 571461007 /nfs/dbraw/zinc/46/10/07/571461007.db2.gz CHCPVPKLZZBQJM-ROTLSHHCSA-N 0 0 642.150 5.194 50 30 KKEARN O=C(Oc1ccc(/C=N/c2c(Cl)cccc2Cl)cc1)c1ccc(C(=O)Oc2ccc(/C=N/c3c(Cl)cccc3Cl)cc2)c([N+](=O)[O-])c1 ZINC000150348430 571461067 /nfs/dbraw/zinc/46/10/67/571461067.db2.gz IWJZTLYPWVUWSP-DIRRLXDOSA-N 0 0 707.353 10.148 50 30 KKEARN COc1ccc(C(NCCc2c(C)[nH]c3ccc(Br)cc32)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000150348902 571461380 /nfs/dbraw/zinc/46/13/80/571461380.db2.gz KYPFZECVWGVMTB-FTTXPQLCSA-N 0 0 649.545 7.095 50 30 KKEARN O=C(Nc1cccc2ccccc21)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150349406 571461407 /nfs/dbraw/zinc/46/14/07/571461407.db2.gz LRTBLMPVLVRYHX-UHFFFAOYSA-N 0 0 733.312 10.058 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150349725 571461598 /nfs/dbraw/zinc/46/15/98/571461598.db2.gz GELIGHKGWPOTMD-WENCNXQZSA-N 0 0 640.571 6.721 50 30 KKEARN O=C(Oc1ccc(/C=N/c2cccc(/N=C/c3ccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)c2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150354611 571462985 /nfs/dbraw/zinc/46/29/85/571462985.db2.gz OFHDHMVHMWQCQN-CQFWSYKGSA-N 0 0 704.564 7.259 50 30 KKEARN Fc1c(Cl)cccc1CO/N=C(/COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Br)cc1 ZINC000150355096 571463073 /nfs/dbraw/zinc/46/30/73/571463073.db2.gz PTAHTYSAXGHHHR-UOZKZNBHSA-N 0 0 642.274 8.900 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1cc(I)cc(I)c1OCc1ccccc1)CCCC2 ZINC000150356425 571463296 /nfs/dbraw/zinc/46/32/96/571463296.db2.gz KPNXRQAKGBSASD-UVHMKAGCSA-N 0 0 624.285 7.037 50 30 KKEARN CCOc1ccc(C(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1Br ZINC000150369835 571465673 /nfs/dbraw/zinc/46/56/73/571465673.db2.gz LEXWLPJVRYMZJG-UHFFFAOYSA-N 0 0 670.216 8.159 50 30 KKEARN C=CCOc1c(I)cc(I)cc1/C=C1\SC(=N)N(c2ccc(I)cc2C)C1=O ZINC000150373373 571466049 /nfs/dbraw/zinc/46/60/49/571466049.db2.gz MSORHLXCJYQCKW-ALRRYEELSA-N 0 0 728.131 6.429 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000150378182 571466672 /nfs/dbraw/zinc/46/66/72/571466672.db2.gz UIFVSWMCHRPZCR-DSCMWQNYSA-N 0 0 632.438 7.730 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@@H](c1ccc(Br)cc1)S[C@@H]2c1ccc(Br)cc1 ZINC000150382463 571467185 /nfs/dbraw/zinc/46/71/85/571467185.db2.gz FOEHBYHVSZHDSR-BJKOFHAPSA-N 0 0 669.489 8.392 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000150384226 571468110 /nfs/dbraw/zinc/46/81/10/571468110.db2.gz MCGHFCKDROLGQY-AYRHNUGRSA-N 0 0 641.042 6.114 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000150384793 571468340 /nfs/dbraw/zinc/46/83/40/571468340.db2.gz DENDCZBQFBGATG-IEZKXTBUSA-N 0 0 628.644 6.433 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000150384838 571468355 /nfs/dbraw/zinc/46/83/55/571468355.db2.gz PERNMKXXDXLODB-UCGXPXSYSA-N 0 0 641.042 6.114 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000150384841 571468449 /nfs/dbraw/zinc/46/84/49/571468449.db2.gz PERNMKXXDXLODB-DNRSQYFGSA-N 0 0 641.042 6.114 50 30 KKEARN CCN(CC)c1ccc([C@H]2N(/C(CN3CCCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150387216 571469871 /nfs/dbraw/zinc/46/98/71/571469871.db2.gz OZBISENQNXBYKM-MNJOUJJESA-N 0 0 651.899 5.428 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000150389043 571471440 /nfs/dbraw/zinc/47/14/40/571471440.db2.gz ICZVKQXLTLCEQX-OGLMXYFKSA-N 0 0 682.580 7.289 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1 ZINC000150390819 571473103 /nfs/dbraw/zinc/47/31/03/571473103.db2.gz GUQMYHIEPOIZSF-UHFFFAOYSA-N 0 0 668.555 6.431 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(NC(=O)OCC)ccc23)ccc1Cl ZINC000150393297 571474934 /nfs/dbraw/zinc/47/49/34/571474934.db2.gz BWNQAIJZCVFTOE-UHFFFAOYSA-N 0 0 631.490 6.407 50 30 KKEARN Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c(Cl)c1 ZINC000150394318 571475509 /nfs/dbraw/zinc/47/55/09/571475509.db2.gz BLSDPLQQVUKOGN-UHFFFAOYSA-N 0 0 654.832 7.834 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150395157 571475819 /nfs/dbraw/zinc/47/58/19/571475819.db2.gz SNPUTNQLXGUHQM-JPZYQRIQSA-N 0 0 648.550 6.589 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/c2ccc3c(c2)C(=O)c2cc(/N=C/c4ccc(OCCCCCCCC)cc4)cc(C(=O)OCCCC)c2-3)cc1 ZINC000150396396 571476475 /nfs/dbraw/zinc/47/64/75/571476475.db2.gz KWTYHEUNZKSXSA-JHKUMVJASA-N 0 0 743.001 12.835 50 30 KKEARN O=C(NC(=S)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1cccc2c(Br)cccc12 ZINC000150401077 571478136 /nfs/dbraw/zinc/47/81/36/571478136.db2.gz DBCBUSOQZPNQTH-UHFFFAOYSA-N 0 0 735.316 8.788 50 30 KKEARN O=C(NC(=S)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1ccccc1Br ZINC000150403248 571478655 /nfs/dbraw/zinc/47/86/55/571478655.db2.gz VEAQFYWSFBMCOR-UHFFFAOYSA-N 0 0 685.256 7.634 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@@H]2OC(c3cc(I)c(OCc4cccc5ccccc54)c(OC)c3)=NN2C(C)=O)c1C#N ZINC000150404236 571479093 /nfs/dbraw/zinc/47/90/93/571479093.db2.gz KXVFXEYCHNGLMT-NDEPHWFRSA-N 0 0 771.406 6.461 50 30 KKEARN C(#Cc1ccc(-c2nc3ccccc3nc2-c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000150413491 571484824 /nfs/dbraw/zinc/48/48/24/571484824.db2.gz BWWVQEDQVGHXRB-UHFFFAOYSA-N 0 0 634.782 11.097 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150421748 571487887 /nfs/dbraw/zinc/48/78/87/571487887.db2.gz VTOBPQBJDYLOMN-POTDNYQPSA-N 0 0 632.308 5.590 50 30 KKEARN O=C(Nc1nc2ccccc2s1)[C@](F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F ZINC000150422052 571488089 /nfs/dbraw/zinc/48/80/89/571488089.db2.gz GRYMHPIWCVUSQW-VIFPVBQESA-N 0 0 710.265 7.606 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422252 571488329 /nfs/dbraw/zinc/48/83/29/571488329.db2.gz LLZXFOFHTIFZMK-WREUJOMVSA-N 0 0 642.774 7.468 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000150425163 571489504 /nfs/dbraw/zinc/48/95/04/571489504.db2.gz FWZRDDQXKMGYIS-UKZNZPTOSA-N 0 0 645.752 7.267 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OCC)cc(C(=O)OCC)c3)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000150425751 571490004 /nfs/dbraw/zinc/49/00/04/571490004.db2.gz XEHWYCOBTWNDRD-UHFFFAOYSA-N 0 0 655.798 7.047 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)o1 ZINC000150426754 571490933 /nfs/dbraw/zinc/49/09/33/571490933.db2.gz RBYQZNUOLCKMDR-IGKMFZNPSA-N 0 0 716.885 8.686 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCN(c4ccccc4)CC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCN(c2ccccc2)CC1 ZINC000150427668 571491809 /nfs/dbraw/zinc/49/18/09/571491809.db2.gz ZZCMPTUZIMEMMR-UHFFFAOYSA-N 0 0 805.093 6.578 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000150428972 571492457 /nfs/dbraw/zinc/49/24/57/571492457.db2.gz ZIVWDSCZZSQJDN-KMCFWPMWSA-N 0 0 651.144 5.396 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000150430638 571493265 /nfs/dbraw/zinc/49/32/65/571493265.db2.gz LJSMEECSWXFREB-QPPCPWFDSA-N 0 0 622.313 6.154 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000150432730 571494239 /nfs/dbraw/zinc/49/42/39/571494239.db2.gz OVVLNFBVTQBUGM-PSXMRANNSA-N 0 0 666.746 6.293 50 30 KKEARN CCCCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)OCCCCCCCCCC)c3cc21 ZINC000150438841 571497006 /nfs/dbraw/zinc/49/70/06/571497006.db2.gz RSXXBBNWWYXGGA-UHFFFAOYSA-N 0 0 700.964 12.712 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150442657 571498996 /nfs/dbraw/zinc/49/89/96/571498996.db2.gz JPZJVEQSSBQFFX-RCRUUEGKSA-N 0 0 636.970 7.354 50 30 KKEARN C=CCN(C(=O)CSc1nc2ccccc2c(=O)n1CCn1c(=O)c2ccccc2nc1SCC(=O)N(CC=C)c1ccccc1)c1ccccc1 ZINC000150443795 571499627 /nfs/dbraw/zinc/49/96/27/571499627.db2.gz UVBFGFVGNPEMTC-UHFFFAOYSA-N 0 0 728.900 6.429 50 30 KKEARN Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(Cn1c2ccc(Br)cc2c2cc(Br)ccc21)OC[C@H]1CO1 ZINC000150456520 571504474 /nfs/dbraw/zinc/50/44/74/571504474.db2.gz NJMACWYRAGHGGG-QFIPXVFZSA-N 0 0 762.134 9.437 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460267 571505932 /nfs/dbraw/zinc/50/59/32/571505932.db2.gz JIBTYEHTTBGWEJ-QBCYBHDASA-N 0 0 646.762 6.568 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469610 571508883 /nfs/dbraw/zinc/50/88/83/571508883.db2.gz ZOWUBCWHELYFQW-OFNYXUPYSA-N 0 0 652.625 8.210 50 30 KKEARN CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470496 571509340 /nfs/dbraw/zinc/50/93/40/571509340.db2.gz SHOWNIFECWAEIA-TXTDGAROSA-N 0 0 664.205 7.450 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000150473197 571510396 /nfs/dbraw/zinc/51/03/96/571510396.db2.gz ZOGWNZFMTIWZLA-WRONEBCDSA-N 0 0 644.559 5.815 50 30 KKEARN COc1ccc(/N=C2/S/C(=C/c3cc(Br)c(OCc4ccccc4C#N)c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000150476458 571511047 /nfs/dbraw/zinc/51/10/47/571511047.db2.gz UFAIIZMZAVMJAL-MQJKTGOFSA-N 0 0 655.412 7.931 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150483191 571513733 /nfs/dbraw/zinc/51/37/33/571513733.db2.gz AZVRWLNYYROJON-KATKFWMUSA-N 0 0 678.576 6.467 50 30 KKEARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@H](C)C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3)o2)cc1 ZINC000150483370 571513964 /nfs/dbraw/zinc/51/39/64/571513964.db2.gz NLGBBZUXAKHYCL-ZMQJNZOGSA-N 0 0 700.886 8.842 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150483198 571514024 /nfs/dbraw/zinc/51/40/24/571514024.db2.gz AZVRWLNYYROJON-NBLPZQPVSA-N 0 0 678.576 6.467 50 30 KKEARN C[C@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(F)cc2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484352 571514767 /nfs/dbraw/zinc/51/47/67/571514767.db2.gz UQLQNSUAJGLPTE-PQORCFSTSA-N 0 0 624.162 9.157 50 30 KKEARN N#C[C@@]1(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1ccc(Cl)cc1 ZINC000150493482 571517513 /nfs/dbraw/zinc/51/75/13/571517513.db2.gz XAIHNXGCVPUQQY-WPWWRBIVSA-N 0 0 737.126 12.073 50 30 KKEARN COc1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000150500534 571518526 /nfs/dbraw/zinc/51/85/26/571518526.db2.gz RXOPPQCAWUBKEB-UHFFFAOYSA-N 0 0 634.405 5.598 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000150521588 571520103 /nfs/dbraw/zinc/52/01/03/571520103.db2.gz HBMNNYDGLOJVEF-IJAHGLKVSA-N 0 0 641.717 6.012 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000150521582 571520171 /nfs/dbraw/zinc/52/01/71/571520171.db2.gz HBMNNYDGLOJVEF-CYFIQEHSSA-N 0 0 641.717 6.012 50 30 KKEARN O=C(Nc1ccncc1)[C@@](F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F ZINC000150559021 571520987 /nfs/dbraw/zinc/52/09/87/571520987.db2.gz ZSBLEIVBVFPYSM-SSDOTTSWSA-N 0 0 654.176 6.391 50 30 KKEARN CC(C)CCCCCc1ccc(OCCOc2ccc(C(=O)Nc3ccc(S(=O)(=O)OCCOc4ccccc4)cc3)cc2[N+](=O)[O-])cc1 ZINC000150581871 571521889 /nfs/dbraw/zinc/52/18/89/571521889.db2.gz SYEBCGHSKAKOGK-UHFFFAOYSA-N 0 0 690.815 7.848 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2c(c1)Cc1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1-2 ZINC000150601395 571522703 /nfs/dbraw/zinc/52/27/03/571522703.db2.gz KAXSBNYGHZOYLQ-UHFFFAOYSA-N 0 0 890.455 8.875 50 30 KKEARN O=C(Nc1ccc(SC(F)F)cc1)C(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000150656546 571527062 /nfs/dbraw/zinc/52/70/62/571527062.db2.gz HQQDUVHDOKXRCK-UHFFFAOYSA-N 0 0 640.602 9.256 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccnc1 ZINC000150662527 571527858 /nfs/dbraw/zinc/52/78/58/571527858.db2.gz CHVVQGHEFPJINB-ZRJLEYOISA-N 0 0 635.639 5.636 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000150662929 571527970 /nfs/dbraw/zinc/52/79/70/571527970.db2.gz DENDCZBQFBGATG-FTBPSBKWSA-N 0 0 628.644 6.433 50 30 KKEARN CC(=O)N[C@H]1[C@@H](OCc2ccccc2)[C@H](OS(C)(=O)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000150663592 571528178 /nfs/dbraw/zinc/52/81/78/571528178.db2.gz HHHWOJPZAAIUTQ-SQHHVHJUSA-N 0 0 721.872 6.372 50 30 KKEARN COc1ccc(CO[C@H]2C(=O)[C@]3(C)[C@@H](OCOCc4ccccc4)C[C@@H](Oc4ccc(OC)cc4)[C@@]4(COC(C)(C)O4)[C@H]3C[C@@H]3O[C@]34CC[C@H]2C4(C)C)cc1 ZINC000150663678 571528310 /nfs/dbraw/zinc/52/83/10/571528310.db2.gz MJRKIVMZLCWJEQ-DQFVYAAKSA-N 0 0 756.933 7.691 50 30 KKEARN COC(=O)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F ZINC000150664848 571528632 /nfs/dbraw/zinc/52/86/32/571528632.db2.gz PKSSDISFEUHBRV-UHFFFAOYSA-N 0 0 722.103 5.824 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000157433908 571529781 /nfs/dbraw/zinc/52/97/81/571529781.db2.gz XCTRDSDCLNGCQB-GJFKPFFXSA-N 0 0 734.422 6.154 50 30 KKEARN F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163815953 571543295 /nfs/dbraw/zinc/54/32/95/571543295.db2.gz NOCLWIPRQIWFMR-ZQQZBIDCSA-N 0 0 784.100 9.164 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163963660 571543814 /nfs/dbraw/zinc/54/38/14/571543814.db2.gz QRLOKTBZZPZAMX-BBABDEHGSA-N 0 0 618.080 7.326 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3ccccc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000169619812 571554270 /nfs/dbraw/zinc/55/42/70/571554270.db2.gz XLYNOCUQHCNVHY-PZPSRYQVSA-N 0 0 519.980 6.507 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000169682894 571557927 /nfs/dbraw/zinc/55/79/27/571557927.db2.gz ALIALAMSHHENJN-KXYSGXMFSA-N 0 0 556.102 7.622 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000169683201 571558061 /nfs/dbraw/zinc/55/80/61/571558061.db2.gz CURNOZUWCYNFOE-QOEFQVSFSA-N 0 0 562.061 7.533 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000169686284 571558249 /nfs/dbraw/zinc/55/82/49/571558249.db2.gz RLWFXSKFFBTRMC-LAVPKYONSA-N 0 0 558.494 5.603 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169687935 571558444 /nfs/dbraw/zinc/55/84/44/571558444.db2.gz XWGGSEOPSAHCDA-MOZWKJSSSA-N 0 0 560.691 5.255 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1Br ZINC000169699489 571558709 /nfs/dbraw/zinc/55/87/09/571558709.db2.gz RGULMUQYYYLYQO-TWUWCHPWSA-N 0 0 582.491 5.550 50 30 KKEARN Fc1c(F)c(F)c([Si](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000169818522 571561191 /nfs/dbraw/zinc/56/11/91/571561191.db2.gz PVEYHXXYHXDHBS-UHFFFAOYSA-N 0 0 696.310 5.846 50 30 KKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)[C@@](F)(C(F)(F)F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000198696460 571568317 /nfs/dbraw/zinc/56/83/17/571568317.db2.gz UDXYMENRNNYMSG-HSZRJFAPSA-N 0 0 749.492 9.117 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1S[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000215681246 571584717 /nfs/dbraw/zinc/58/47/17/571584717.db2.gz KQCHXIPHNAOFJL-JOCHJYFZSA-N 0 0 562.400 7.247 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1OC ZINC000215711173 571584948 /nfs/dbraw/zinc/58/49/48/571584948.db2.gz WDUSTNCZQCPVKV-UHFFFAOYSA-N 0 0 550.562 6.449 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccc(/N=C/c4cccnc4Cl)cc3)c3ccccc3)sc2C1 ZINC000215722317 571585325 /nfs/dbraw/zinc/58/53/25/571585325.db2.gz RCCRUXAXIMFAJZ-PEPWOECOSA-N 0 0 557.144 8.016 50 30 KKEARN CC[C@@H](Sc1ccc(/N=C/c2cccnc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000215721359 571585337 /nfs/dbraw/zinc/58/53/37/571585337.db2.gz LQQNYOPLGCKGHO-KZTHHHFKSA-N 0 0 509.100 7.053 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccccc3/N=C/c3cccnc3Cl)sc2C1 ZINC000215722435 571585354 /nfs/dbraw/zinc/58/53/54/571585354.db2.gz XYMBEQOZWIZOKD-UHRFHUGISA-N 0 0 523.127 7.301 50 30 KKEARN CS(=O)(=O)O[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](n2ccc(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000215979959 571590403 /nfs/dbraw/zinc/59/04/03/571590403.db2.gz CILSTBQZISAPNO-VTLLABPBSA-N 0 0 806.937 7.165 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H](OC(C)=O)[C@H]([C@@]23CC[C@@H](C[C@H]2OC(C)=O)C3(C)C)S(=O)(=O)c2ccccc2)COC(C)(C)O1 ZINC000216533709 571597876 /nfs/dbraw/zinc/59/78/76/571597876.db2.gz ONJFTOBFUWLCRF-VXOWHVRCSA-N 0 0 684.848 5.820 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1 ZINC000217769012 571602611 /nfs/dbraw/zinc/60/26/11/571602611.db2.gz QLVWOPDRXGJXHV-SANMLTNESA-N 0 0 504.630 8.117 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3coc5ccc(Cl)cc5c3=O)CC(=O)O4)C2=O)cc1 ZINC000217776394 571602618 /nfs/dbraw/zinc/60/26/18/571602618.db2.gz HTRQTSCIGYRQTH-ZASXCATISA-N 0 0 500.890 5.512 50 30 biogenic KKEARN COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)cc2OC)cc1 ZINC000217760526 571602623 /nfs/dbraw/zinc/60/26/23/571602623.db2.gz VEWJFSBCPVJMIQ-QFIPXVFZSA-N 0 0 500.547 5.635 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2cccc(OC)c2OC(C)C)CC(=O)O3)C1=O ZINC000217984166 571602959 /nfs/dbraw/zinc/60/29/59/571602959.db2.gz AQCDJYCACKUOAB-SNWZXBDOSA-N 0 0 546.572 5.565 50 30 biogenic KKEARN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000217979972 571603008 /nfs/dbraw/zinc/60/30/08/571603008.db2.gz MLJOPEWPVWUGFM-PFQJNYNCSA-N 0 0 549.579 5.778 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc(SC)cc2)CC(=O)O3)C1=O ZINC000218121924 571603474 /nfs/dbraw/zinc/60/34/74/571603474.db2.gz MHWXKRVDFOZNCA-OGBFJMLUSA-N 0 0 504.560 5.492 50 30 biogenic KKEARN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@@H](c2ccc(SC)cc2)CC(=O)O3)C1=O ZINC000218122003 571603568 /nfs/dbraw/zinc/60/35/68/571603568.db2.gz MHWXKRVDFOZNCA-QVHMZZSFSA-N 0 0 504.560 5.492 50 30 biogenic KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000225217015 571658903 /nfs/dbraw/zinc/65/89/03/571658903.db2.gz FPXSAVMIPWIPHN-OGQOOFKISA-N 0 0 617.496 5.799 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000261492435 572110417 /nfs/dbraw/zinc/11/04/17/572110417.db2.gz XQEGNJRCYISSOX-KCZZMLNLSA-N 0 0 528.774 6.721 50 30 KKEARN COC(=O)C[C@]1(C)CCC(C)(C)C[C@@H]1[C@]1(C)C(=O)C=C2[C@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]2(C)C1=O ZINC000261493221 572112006 /nfs/dbraw/zinc/11/20/06/572112006.db2.gz GESIXGHHOOKLGB-WLHDAYHASA-N 0 0 500.720 6.070 50 30 KKEARN COC(=O)[C@]12CC[C@H](C)[C@H](C)[C@@H]1C1=CC(=O)[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C(=O)OC)CC2 ZINC000261493302 572112476 /nfs/dbraw/zinc/11/24/76/572112476.db2.gz PAZDKPODGCWNOL-OIBCVETESA-N 0 0 570.767 6.081 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc2c(c1)OCCCO2)N(C)CC4 ZINC000263585147 572116933 /nfs/dbraw/zinc/11/69/33/572116933.db2.gz FOZNJNRKKQVHQZ-UHFFFAOYSA-N 0 0 555.627 5.900 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C4=O)cc1 ZINC000263585411 572118281 /nfs/dbraw/zinc/11/82/81/572118281.db2.gz IHRGNUXJSNXWAA-ZABXAGCJSA-N 0 0 586.681 7.509 50 30 KKEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3coc5ccccc5c3=O)CC(=O)O4)C1=O)cn2C ZINC000263585467 572118933 /nfs/dbraw/zinc/11/89/33/572118933.db2.gz JANKJMDWJPEYFN-KKBNRGAHSA-N 0 0 519.509 5.351 50 30 KKEARN COc1ccccc1C=C1Oc2c(ccc3c2[C@H](c2ccc(-c4ccc(C(C)=O)cc4)o2)CC(=O)O3)C1=O ZINC000263585732 572119824 /nfs/dbraw/zinc/11/98/24/572119824.db2.gz LUFSBFJVTUFGRH-CHVMBPBASA-N 0 0 506.510 6.215 50 30 KKEARN COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccccc23)C4=O)cc1OC ZINC000263586235 572122546 /nfs/dbraw/zinc/12/25/46/572122546.db2.gz ROWLWFTYJLWEMB-SNVQLJJKSA-N 0 0 511.530 5.261 50 30 KKEARN N#C[C@@]12CN(Cc3ccccc3)C[C@@](C#N)(C3=NCN(Cc4ccccc4)CN3C1=S)[C@@H]2c1ccccc1Cl ZINC000226624112 572139247 /nfs/dbraw/zinc/13/92/47/572139247.db2.gz ZCHITXVMTPGRNU-XTHXZNCLSA-N 0 0 551.119 5.432 50 30 KKEARN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000226762520 572140565 /nfs/dbraw/zinc/14/05/65/572140565.db2.gz HHVVLZZRLBNGGZ-IVWKALMFSA-N 0 0 521.064 6.172 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000226760519 572140689 /nfs/dbraw/zinc/14/06/89/572140689.db2.gz MSPZWAYUCXRCRW-MUUNZHRXSA-N 0 0 522.567 7.515 50 30 KKEARN CN1C[C@H](OC(=O)C2(c3ccccc3F)CCCC2)C[C@H]1CNC(=O)C1(c2ccccc2F)CCCC1 ZINC000328598131 572146028 /nfs/dbraw/zinc/14/60/28/572146028.db2.gz KEDSIPDRVKNOHM-FCHUYYIVSA-N 0 0 510.625 5.861 50 30 KKEARN CCOC(=O)/C(=c1/cc2c(c3ccccc31)=N[C@]13CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)N23)[N+](=O)[O-] ZINC000227244460 572152921 /nfs/dbraw/zinc/15/29/21/572152921.db2.gz VBEWRQSREMKTAH-JJLBAVJDSA-N 0 0 557.650 5.952 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccc(Br)c1 ZINC000334158135 572153117 /nfs/dbraw/zinc/15/31/17/572153117.db2.gz SKJLVEMXIUKEEI-UHFFFAOYSA-N 0 0 561.461 5.300 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229623025 572157644 /nfs/dbraw/zinc/15/76/44/572157644.db2.gz KVUJWPMSFGUUSH-RPWYQEBTSA-N 0 0 596.639 5.962 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229629857 572158149 /nfs/dbraw/zinc/15/81/49/572158149.db2.gz SRHUAMVLRQSDGX-IZJWOVIGSA-N 0 0 569.592 5.710 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000229859879 572161560 /nfs/dbraw/zinc/16/15/60/572161560.db2.gz XDOGVCPXVNRHKI-VRIGDROISA-N 0 0 619.515 6.958 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229874112 572164457 /nfs/dbraw/zinc/16/44/57/572164457.db2.gz WLWQXDYCYJYDDP-RYTSNQFKSA-N 0 0 559.021 5.871 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000229882984 572165117 /nfs/dbraw/zinc/16/51/17/572165117.db2.gz UUGCVEQXKTZKHH-ZJSPYRCASA-N 0 0 622.302 6.134 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000229886688 572165152 /nfs/dbraw/zinc/16/51/52/572165152.db2.gz ICYAGPJHQUJERY-GVAUOCQISA-N 0 0 514.810 6.387 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000230026655 572179768 /nfs/dbraw/zinc/17/97/68/572179768.db2.gz GCYRJTFRLLVFBM-NQHRYMMQSA-N 0 0 605.644 5.323 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000230027480 572180085 /nfs/dbraw/zinc/18/00/85/572180085.db2.gz LPZWASJGDVNTTC-QLBJFCOMSA-N 0 0 594.561 5.592 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1F ZINC000230027360 572180229 /nfs/dbraw/zinc/18/02/29/572180229.db2.gz FDHFILKXBRXYCI-HNPKZYAISA-N 0 0 602.634 5.501 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000230032675 572180316 /nfs/dbraw/zinc/18/03/16/572180316.db2.gz ZJEFGNCWTDJDHJ-FTBPSBKWSA-N 0 0 594.561 5.592 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000239128729 572190754 /nfs/dbraw/zinc/19/07/54/572190754.db2.gz KRJCAEGTKWPYPW-RQTOMXEWSA-N 0 0 577.060 5.079 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000239274610 572192513 /nfs/dbraw/zinc/19/25/13/572192513.db2.gz ALIALAMSHHENJN-QABJAWOTSA-N 0 0 556.102 7.622 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000239377514 572194260 /nfs/dbraw/zinc/19/42/60/572194260.db2.gz OBFXFIRRJYJXQD-GIUSITLXSA-N 0 0 555.803 8.335 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@H](c3cccs3)C[C@H]4C(F)(F)F)sc2C1 ZINC000239433503 572195982 /nfs/dbraw/zinc/19/59/82/572195982.db2.gz XUHHBDMKAPSNPI-HICWGWBUSA-N 0 0 526.009 6.569 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242722828 572199434 /nfs/dbraw/zinc/19/94/34/572199434.db2.gz XWMIXYNBVNTPFV-BFYUJEOXSA-N 0 0 814.126 8.526 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000245189290 572201386 /nfs/dbraw/zinc/20/13/86/572201386.db2.gz MEXQRXXROOSHGK-KMQCWCMESA-N 0 0 950.120 11.001 50 30 KKEARN CCC(C)(C)[C@H]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C1 ZINC000245226002 572203432 /nfs/dbraw/zinc/20/34/32/572203432.db2.gz CURNUYGQYUHNHU-MPEDFVCUSA-N 0 0 524.654 6.621 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000245229285 572206669 /nfs/dbraw/zinc/20/66/69/572206669.db2.gz SNZKXROYLGSZTB-JOFBTGDGSA-N 0 0 825.208 10.556 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000245229412 572207078 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CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252460354 572261191 /nfs/dbraw/zinc/26/11/91/572261191.db2.gz DTWHJASTPVYWSM-UHFFFAOYSA-N 0 0 526.445 7.489 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N=Nc4ccccc4)cc2)C3=O)cc1)c1ccccc1 ZINC000252463187 572261361 /nfs/dbraw/zinc/26/13/61/572261361.db2.gz ZMYPSUPUSXICHM-KPYLOBFYSA-N 0 0 576.612 8.051 50 30 KKEARN COc1ccc(Br)cc1/C=C1\C[C@H](C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000252516738 572262259 /nfs/dbraw/zinc/26/22/59/572262259.db2.gz WGGLZKRIXPJDJG-RQDKYUEZSA-N 0 0 506.234 6.695 50 30 KKEARN CCCCCCCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000252549079 572263233 /nfs/dbraw/zinc/26/32/33/572263233.db2.gz QSRQXCRHDWNLLQ-NBGIEHNGSA-N 0 0 567.727 5.140 50 30 KKEARN O=C(NCCc1ccccc1)c1c(N=C2c3ccccc3N(Cc3ccccc3F)C2=O)sc2c1CCCC2 ZINC000252586057 572265163 /nfs/dbraw/zinc/26/51/63/572265163.db2.gz NDDKHJBPOUEHFW-UHFFFAOYSA-N 0 0 537.660 6.406 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000252590406 572266616 /nfs/dbraw/zinc/26/66/16/572266616.db2.gz ASXFBTVVMDXAQT-UHFFFAOYSA-N 0 0 644.596 5.145 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252591158 572266631 /nfs/dbraw/zinc/26/66/31/572266631.db2.gz AYBWPKYDULKECL-RUJGDQLBSA-N 0 0 580.622 7.867 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3/C(=O)Nc4ccc(CC)cc43)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252590384 572266666 /nfs/dbraw/zinc/26/66/66/572266666.db2.gz ASHQDPDMYFOODQ-LKDRHFIDSA-N 0 0 569.639 5.733 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000252593575 572266770 /nfs/dbraw/zinc/26/67/70/572266770.db2.gz BKZOATSNGPEZNG-FHWQPWHLSA-N 0 0 580.507 7.704 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000252593023 572266785 /nfs/dbraw/zinc/26/67/85/572266785.db2.gz BIAAAJKFTVIRPJ-UHFFFAOYSA-N 0 0 752.295 7.626 50 30 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O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000252598272 572267120 /nfs/dbraw/zinc/26/71/20/572267120.db2.gz CZHLVYTYDLJEOL-YXQFPLTESA-N 0 0 523.485 8.119 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)N2C)cc1 ZINC000252597263 572267151 /nfs/dbraw/zinc/26/71/51/572267151.db2.gz CQUONYIEEWISEP-KEIAQOLESA-N 0 0 532.463 6.696 50 30 KKEARN Oc1ccc(Cl)cc1C=Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000252597757 572267161 /nfs/dbraw/zinc/26/71/61/572267161.db2.gz CVCHTTLVVSHTDD-UHFFFAOYSA-N 0 0 509.130 6.862 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(OC)c(O)c(Br)c2Br)SC1=Nc1ccccc1 ZINC000252598448 572267169 /nfs/dbraw/zinc/26/71/69/572267169.db2.gz DAURPCBZQSQTMW-OARFDWRSSA-N 0 0 542.249 5.176 50 30 KKEARN CCOc1ccc(Br)cc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252600277 572267426 /nfs/dbraw/zinc/26/74/26/572267426.db2.gz DQGILTHASUJGTL-SNUSUYNMSA-N 0 0 535.507 7.890 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1 ZINC000252602943 572267504 /nfs/dbraw/zinc/26/75/04/572267504.db2.gz FMQOZTAZIUUOHL-ZEAYLUBASA-N 0 0 505.571 5.094 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252603125 572267547 /nfs/dbraw/zinc/26/75/47/572267547.db2.gz FNWAUFKVVAQKCE-DYCZJGEBSA-N 0 0 507.409 6.603 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252602193 572267555 /nfs/dbraw/zinc/26/75/55/572267555.db2.gz FGGANCPMZIRNHA-UPLINDPZSA-N 0 0 540.773 8.921 50 30 KKEARN CCCCCCOc1ccccc1/C=C1/SC(=Nc2ccc(CC)cc2)N(c2ccc(CC)cc2)C1=O ZINC000252602725 572267570 /nfs/dbraw/zinc/26/75/70/572267570.db2.gz FJXNUASCRWYJPU-RZNVLXEQSA-N 0 0 512.719 8.579 50 30 KKEARN N#Cc1ccc(COc2ccc(Cl)cc2C=Nc2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000252605345 572267767 /nfs/dbraw/zinc/26/77/67/572267767.db2.gz GJECBETZNPUZLM-UHFFFAOYSA-N 0 0 532.109 7.544 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000252605861 572267776 /nfs/dbraw/zinc/26/77/76/572267776.db2.gz GNNYEFUQMXXBMU-NCYJACTQSA-N 0 0 545.035 7.875 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC ZINC000252606660 572267924 /nfs/dbraw/zinc/26/79/24/572267924.db2.gz GUAVPZPJTCDTLN-ZNVFLBMQSA-N 0 0 551.506 7.509 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1OCC ZINC000252608681 572268005 /nfs/dbraw/zinc/26/80/05/572268005.db2.gz HMSLZYMIJYJEAR-RCQPFBOUSA-N 0 0 591.480 5.200 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000252608353 572268035 /nfs/dbraw/zinc/26/80/35/572268035.db2.gz HJRRSYWGRXYPME-GUVGJHGXSA-N 0 0 597.180 9.360 50 30 KKEARN CCOc1ccc(Br)cc1/C=C1/SC(=Nc2ccccc2CC)N(c2ccccc2CC)C1=O ZINC000252609027 572268067 /nfs/dbraw/zinc/26/80/67/572268067.db2.gz HPHQVJQXVRIKIK-MQIBBLKQSA-N 0 0 535.507 7.781 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(OC)cc1 ZINC000252609742 572268140 /nfs/dbraw/zinc/26/81/40/572268140.db2.gz HVEHMHGMXRJFEB-DVWQPEECSA-N 0 0 543.714 7.172 50 30 KKEARN CCc1ccccc1N=Cc1ccc(OC(=O)c2ccccc2C(=O)Oc2cccc(C=Nc3ccccc3CC)c2)cc1 ZINC000252610868 572268157 /nfs/dbraw/zinc/26/81/57/572268157.db2.gz IFDJQKHMWVYIKN-UHFFFAOYSA-N 0 0 580.684 8.751 50 30 KKEARN CCOc1ccc(C2=C(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000252609881 572268166 /nfs/dbraw/zinc/26/81/66/572268166.db2.gz HWYZKLULJQDWHD-MGBGTMOVSA-N 0 0 555.678 7.530 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000252609845 572268188 /nfs/dbraw/zinc/26/81/88/572268188.db2.gz HWFRBCCOKXECLU-CWOIWJLQSA-N 0 0 540.179 8.167 50 30 KKEARN CCOc1ccc(N=C2S/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N2C)cc1 ZINC000252611074 572268298 /nfs/dbraw/zinc/26/82/98/572268298.db2.gz IGYPLROVQOXOHK-VJLXJNPLSA-N 0 0 527.646 6.361 50 30 KKEARN Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)cc(Br)c3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)c1 ZINC000252616940 572268826 /nfs/dbraw/zinc/26/88/26/572268826.db2.gz KJDCTCBOLGAGJG-UHFFFAOYSA-N 0 0 736.296 7.925 50 30 KKEARN Cc1ccc(N(C[C@@H]2Cn3cccc3C2=NOC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000252616758 572268842 /nfs/dbraw/zinc/26/88/42/572268842.db2.gz KEUWSKXNFCEQJX-QFIPXVFZSA-N 0 0 532.427 6.641 50 30 KKEARN Clc1ccccc1C=Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(N=Cc3ccccc3Cl)cc1C(c1ccccc1)=N2 ZINC000252617134 572268855 /nfs/dbraw/zinc/26/88/55/572268855.db2.gz KMWXTNOAYMLPEX-UHFFFAOYSA-N 0 0 633.582 11.146 50 30 KKEARN Clc1cccc(Cl)c1C=Nc1ccc(Oc2ccc(N=Cc3c(Cl)cccc3Cl)cc2)cc1 ZINC000252616894 572268865 /nfs/dbraw/zinc/26/88/65/572268865.db2.gz KHXAWWQXGLTTGI-UHFFFAOYSA-N 0 0 514.239 9.594 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252616979 572268892 /nfs/dbraw/zinc/26/88/92/572268892.db2.gz KJWVBXZHQAYJCP-CSSPGZFZSA-N 0 0 511.672 7.026 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2c3ccccc3cc3ccccc32)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252617551 572269007 /nfs/dbraw/zinc/26/90/07/572269007.db2.gz KVKKFYXBIGGGFX-UHFFFAOYSA-N 0 0 562.678 7.682 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)SC1=Nc1ccc(OC)cc1 ZINC000252617242 572269021 /nfs/dbraw/zinc/26/90/21/572269021.db2.gz KPCHOAUDCRXJNB-DMMFFJLOSA-N 0 0 537.479 6.969 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=Nc1ccccc1 ZINC000252618855 572269102 /nfs/dbraw/zinc/26/91/02/572269102.db2.gz LKHCVPDTDJKSJV-GLKJRODOSA-N 0 0 553.478 6.287 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OS(=O)(=O)c1ccccc1 ZINC000252618183 572269141 /nfs/dbraw/zinc/26/91/41/572269141.db2.gz LERCUMWKJSEVRK-UHFFFAOYSA-N 0 0 548.473 6.729 50 30 KKEARN Cc1cccc(N=C2S/C(=C3/C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cccc(C)c2C)c1C ZINC000252619131 572269252 /nfs/dbraw/zinc/26/92/52/572269252.db2.gz LNAJOXQGTFTXGM-ORCMSOPNSA-N 0 0 502.039 7.013 50 30 KKEARN CCCN(CCC)c1ccc(/C=C2/SC(=Nc3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000252619085 572269259 /nfs/dbraw/zinc/26/92/59/572269259.db2.gz LMBFBUFSKPPRCX-RZNVLXEQSA-N 0 0 511.735 8.246 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000252620137 572269348 /nfs/dbraw/zinc/26/93/48/572269348.db2.gz LXZXHMCNMUUBHI-JIVLHQBOSA-N 0 0 528.483 7.180 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccc(C)c(Cl)c3)N(c3ccc(C)c(Cl)c3)C2=O)c(Cl)cc1O ZINC000252620381 572269356 /nfs/dbraw/zinc/26/93/56/572269356.db2.gz MCYDPSZVBQIVMP-STMRXQLJSA-N 0 0 533.864 7.786 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)C(=O)N2C)cc1 ZINC000252620286 572269396 /nfs/dbraw/zinc/26/93/96/572269396.db2.gz MBDCFPHEUDJOQC-IFUAEJTFSA-N 0 0 578.315 7.577 50 30 KKEARN O=[N+]([O-])c1ccc(C=Nc2ccc(-c3nc4cc(-c5nc6cc(N=Cc7ccc([N+](=O)[O-])cc7)ccc6[nH]5)ccc4[nH]3)cc2)cc1 ZINC000252621000 572269463 /nfs/dbraw/zinc/26/94/63/572269463.db2.gz MQNLNDBKINXTDB-UHFFFAOYSA-N 0 0 606.602 8.091 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(C)cc1 ZINC000252620997 572269535 /nfs/dbraw/zinc/26/95/35/572269535.db2.gz MQLSBFZZFVJDOI-YLPDHICQSA-N 0 0 527.715 7.471 50 30 KKEARN CCc1ccc(N=C2S/C(=C3/c4ccccc4N(Cc4ccccc4)C3=O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252620971 572269538 /nfs/dbraw/zinc/26/95/38/572269538.db2.gz MPZOHWFEWAXXPZ-ZVIWIIKRSA-N 0 0 543.692 7.537 50 30 KKEARN CCN1C(=O)/C(=C(/C=C2\Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(C)cc1 ZINC000252620996 572269559 /nfs/dbraw/zinc/26/95/59/572269559.db2.gz MQLSBFZZFVJDOI-SVWGEBKDSA-N 0 0 527.715 7.471 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(Br)ccc3O)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000252622208 572269691 /nfs/dbraw/zinc/26/96/91/572269691.db2.gz NQSPTKLTBPDRJT-UHFFFAOYSA-N 0 0 572.511 6.297 50 30 KKEARN Cc1ccc(N=C2S/C(=C3\c4cc(Br)cc(Br)c4N(C)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252622463 572269742 /nfs/dbraw/zinc/26/97/42/572269742.db2.gz NVVQZFGVLFMZRE-IRHBKMARSA-N 0 0 625.386 7.600 50 30 KKEARN CCCCCCCCCCOc1ccc(N=C(CC)C(CC)=Nc2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000252622671 572269903 /nfs/dbraw/zinc/26/99/03/572269903.db2.gz OAEHVECKBGSNNW-UHFFFAOYSA-N 0 0 576.910 12.391 50 30 KKEARN COc1ccc(N=C2SC(=NC(=Nc3ccccc3)SCc3ccccc3)N(c3ccccc3)C2=Nc2ccc(OC)cc2)cc1 ZINC000252623793 572269949 /nfs/dbraw/zinc/26/99/49/572269949.db2.gz OZGSLLJSNBWCJV-UHFFFAOYSA-N 0 0 641.822 9.695 50 30 KKEARN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Br ZINC000252624149 572270160 /nfs/dbraw/zinc/27/01/60/572270160.db2.gz PHMRCSPEZMEOBA-ZQFCNSAKSA-N 0 0 505.821 5.365 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3\c4cc(Br)cc(Br)c4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252624458 572270170 /nfs/dbraw/zinc/27/01/70/572270170.db2.gz POHGMKJZFJOKSD-WJKKCRPSSA-N 0 0 713.404 6.720 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C3\C(=O)Nc4ccc(C)cc43)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252625037 572270284 /nfs/dbraw/zinc/27/02/84/572270284.db2.gz QBNMZTPIIARGND-BEKNZLNVSA-N 0 0 555.612 5.479 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252625148 572270369 /nfs/dbraw/zinc/27/03/69/572270369.db2.gz QEGOPVMEOWNOJB-ICYJYPBOSA-N 0 0 526.662 6.607 50 30 KKEARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C\c2ccc(Cl)cc2Cl)CCCCC1 ZINC000252625102 572270416 /nfs/dbraw/zinc/27/04/16/572270416.db2.gz QDICCHPVWBBAJY-QTCHGVAZSA-N 0 0 565.376 8.866 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252626018 572270504 /nfs/dbraw/zinc/27/05/04/572270504.db2.gz QUMHLGNSYSTZFC-NGNOOAMGSA-N 0 0 501.611 6.941 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000252626017 572270529 /nfs/dbraw/zinc/27/05/29/572270529.db2.gz QUMHLGNSYSTZFC-CIAJQKJXSA-N 0 0 501.611 6.941 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000252626600 572270666 /nfs/dbraw/zinc/27/06/66/572270666.db2.gz RBVUIWVCLSYSBF-NPJKBUODSA-N 0 0 544.642 7.589 50 30 KKEARN CCN1C(=O)/C(=C(/C=C2\Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(Cl)cc1 ZINC000252627012 572270696 /nfs/dbraw/zinc/27/06/96/572270696.db2.gz RKCVFYNXCCAPRA-YOESDEAMSA-N 0 0 548.133 7.816 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3cn(CCOc4ccccc4Cl)c4ccc(Br)cc34)C(=O)N2C)cc1Cl ZINC000252627660 572270772 /nfs/dbraw/zinc/27/07/72/572270772.db2.gz RYXFUNYOPQJNGC-VPKBQZDKSA-N 0 0 615.380 8.332 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O ZINC000252628073 572270879 /nfs/dbraw/zinc/27/08/79/572270879.db2.gz SHNJHVJBTCUXAV-ZNVFLBMQSA-N 0 0 551.506 7.596 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc(N4CCOCC4)cc3)N(C3CCCCC3)C1=O)S2 ZINC000252628522 572270919 /nfs/dbraw/zinc/27/09/19/572270919.db2.gz SSDKSUIIGCUECN-DSIDLZBXSA-N 0 0 536.723 5.839 50 30 KKEARN O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252628063 572270932 /nfs/dbraw/zinc/27/09/32/572270932.db2.gz SHLMAJDCVHLYNA-RCQMCOAFSA-N 0 0 569.897 8.623 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252628200 572270938 /nfs/dbraw/zinc/27/09/38/572270938.db2.gz SKOJXBZYMHEJRU-UHFFFAOYSA-N 0 0 580.476 5.792 50 30 KKEARN CCCCCCOc1ccc(OCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000252628441 572270947 /nfs/dbraw/zinc/27/09/47/572270947.db2.gz SQIOMIKJCDDZRT-UHFFFAOYSA-N 0 0 573.742 5.935 50 30 KKEARN COc1cccc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1OCc1ccccc1Cl ZINC000252628470 572270952 /nfs/dbraw/zinc/27/09/52/572270952.db2.gz SQYRNDVATOGBMQ-ICYJYPBOSA-N 0 0 527.045 7.736 50 30 KKEARN CCN1C(=O)/C(=C/C=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(-c2ccccc2)cc1 ZINC000252628877 572271017 /nfs/dbraw/zinc/27/10/17/572271017.db2.gz SZXLQVPPFLMMHQ-WEPHJRDTSA-N 0 0 504.080 7.557 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc(Cl)cc1Cl ZINC000252628786 572271039 /nfs/dbraw/zinc/27/10/39/572271039.db2.gz SXUUUCQMLXGJNB-UHFFFAOYSA-N 0 0 554.482 5.824 50 30 KKEARN COc1ccc(C2=C(C=Nc3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC ZINC000252630050 572271291 /nfs/dbraw/zinc/27/12/91/572271291.db2.gz UTIOATQHHOGLQY-WJOKGBTCSA-N 0 0 504.586 7.000 50 30 KKEARN COc1ccc(C=Nc2ccc(Oc3ccc(C(C)(C)c4cccc(Oc5ccc(N=Cc6ccc(OC)c(OC)c6)cc5)c4)cc3)cc2)cc1OC ZINC000252629872 572271299 /nfs/dbraw/zinc/27/12/99/572271299.db2.gz UPDXQZQDFWNCQU-UHFFFAOYSA-N 0 0 706.839 11.133 50 30 KKEARN Clc1ccccc1COc1cccc(NN=Cc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000252632002 572271390 /nfs/dbraw/zinc/27/13/90/572271390.db2.gz VNXDVASDZZUAFV-UHFFFAOYSA-N 0 0 522.012 7.037 50 30 KKEARN CCC(=O)Oc1c(C=Nc2ccc(I)cc2C)c2c(cc1[N+](=O)[O-])oc1c2CCCC1 ZINC000252634454 572271737 /nfs/dbraw/zinc/27/17/37/572271737.db2.gz WNWGJVGPEJNVRN-UHFFFAOYSA-N 0 0 532.334 6.199 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc(I)c1 ZINC000252632389 572271576 /nfs/dbraw/zinc/27/15/76/572271576.db2.gz VSLZHGXGWWQLEI-UHFFFAOYSA-N 0 0 655.541 5.521 50 30 KKEARN Brc1ccc(C=Nc2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 ZINC000252632801 572271604 /nfs/dbraw/zinc/27/16/04/572271604.db2.gz VXBZMICCRSTHGZ-NSOVKSMOSA-N 0 0 507.475 8.077 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/C(=O)Nc4c3cc(C)cc4Br)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252632270 572271618 /nfs/dbraw/zinc/27/16/18/572271618.db2.gz VSFDNZHPYCQYRI-QZRIUIEYSA-N 0 0 518.436 6.505 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(C=Nc3ccc(Cl)cc3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000252634151 572271733 /nfs/dbraw/zinc/27/17/33/572271733.db2.gz WKOVTFICHACKDI-UHFFFAOYSA-N 0 0 556.061 6.243 50 30 KKEARN CCc1ccccc1N=C1S/C(=C2/C(=O)Nc3c2cc(Br)cc3C)C(=O)N1c1ccccc1CC ZINC000252635035 572271736 /nfs/dbraw/zinc/27/17/36/572271736.db2.gz WTQDRFMTHUPJMN-ORCMSOPNSA-N 0 0 546.490 7.013 50 30 KKEARN COc1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4)N(c4ccccc4)C3=O)o2)c(OC)cc1Cl ZINC000252635522 572271875 /nfs/dbraw/zinc/27/18/75/572271875.db2.gz WXRYLQMYEVDKRJ-OTWBWGFJSA-N 0 0 517.006 7.426 50 30 KKEARN CCCC[C@@H]1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252637802 572272078 /nfs/dbraw/zinc/27/20/78/572272078.db2.gz XWJCFEYDAIPLBZ-SFHVURJKSA-N 0 0 603.358 5.399 50 30 KKEARN CCN1C(=O)/C(=C/C=C2\Sc3c(ccc4ccccc34)N2CC)SC1=Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000252636923 572271966 /nfs/dbraw/zinc/27/19/66/572271966.db2.gz XNOXXGDDWSXNBR-RWQQGOCVSA-N 0 0 559.760 8.951 50 30 KKEARN c1ccc(CSC(=Nc2ccccc2)N=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 ZINC000252636749 572271975 /nfs/dbraw/zinc/27/19/75/572271975.db2.gz XMCWKKLWDIXPPT-UHFFFAOYSA-N 0 0 581.770 9.677 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(I)c(OCc4ccccc4Cl)c(I)c3)SC2=Nc2ccccc2)cc1 ZINC000252638180 572272099 /nfs/dbraw/zinc/27/20/99/572272099.db2.gz XZTQCZVOIXRSMP-NNCYKSHGSA-N 0 0 792.864 8.941 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1OCc1c(F)cccc1Cl ZINC000252638146 572272124 /nfs/dbraw/zinc/27/21/24/572272124.db2.gz XZSJOGKCNUFBHO-UHFFFAOYSA-N 0 0 562.049 6.432 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc1OCC ZINC000252638757 572272137 /nfs/dbraw/zinc/27/21/37/572272137.db2.gz YGAKDGHHHGOKRH-GKJKXNJGSA-N 0 0 519.417 5.024 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000252640240 572272287 /nfs/dbraw/zinc/27/22/87/572272287.db2.gz YRVZEUZYWZCLEO-VDHUADSDSA-N 0 0 622.707 5.197 50 30 KKEARN Cc1cc(-c2ccc(C=Nc3c(-c4ccc(Cl)cc4Cl)nc4ccccn43)o2)c(C)c([N+](=O)[O-])c1 ZINC000252641814 572272395 /nfs/dbraw/zinc/27/23/95/572272395.db2.gz ZGCIOJTYNSNKTA-UHFFFAOYSA-N 0 0 505.361 7.844 50 30 KKEARN CCN(CC)c1nc(N=NCc2cc(I)cc(I)c2O)nc(Nc2cc(C)ccc2C)n1 ZINC000252642056 572272409 /nfs/dbraw/zinc/27/24/09/572272409.db2.gz ZJGYBUBWQDOIGM-UHFFFAOYSA-N 0 0 657.298 5.439 50 30 KKEARN O=C(Oc1ccc(C=Nc2ccc3oc(-c4ccc(I)cc4)nc3c2)cc1)c1ccco1 ZINC000252644095 572272478 /nfs/dbraw/zinc/27/24/78/572272478.db2.gz ZYZILIIZKDVHGZ-UHFFFAOYSA-N 0 0 534.309 6.662 50 30 KKEARN COc1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 ZINC000252642920 572272592 /nfs/dbraw/zinc/27/25/92/572272592.db2.gz ZRABLEYGSZXMGR-UHFFFAOYSA-N 0 0 579.272 5.724 50 30 KKEARN C=CCn1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252666562 572273305 /nfs/dbraw/zinc/27/33/05/572273305.db2.gz BXEBIZIOZORDAY-NDEPHWFRSA-N 0 0 525.674 5.062 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000252668526 572274025 /nfs/dbraw/zinc/27/40/25/572274025.db2.gz FGXHOSIEWBJTTK-PSXMRANNSA-N 0 0 666.828 6.532 50 30 KKEARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(Oc4ccccc4)c3)sc2=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000252668938 572274294 /nfs/dbraw/zinc/27/42/94/572274294.db2.gz FZMPGKILGGPPJO-HKBQPEDESA-N 0 0 613.695 5.485 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1Cl ZINC000252677095 572280528 /nfs/dbraw/zinc/28/05/28/572280528.db2.gz YCQKIGLRYKUSPG-WJOKGBTCSA-N 0 0 619.139 5.473 50 30 KKEARN C#CCOc1ccc2ccccc2c1C=c1sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000252676926 572280540 /nfs/dbraw/zinc/28/05/40/572280540.db2.gz 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COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2OC)C4=O)cc1OCCc1ccc2c(c1)CCO2 ZINC000253401423 572285300 /nfs/dbraw/zinc/28/53/00/572285300.db2.gz FPDZGGFAABJODT-VZZDOBOISA-N 0 0 650.680 6.335 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3coc5ccc(C)cc5c3=O)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253411446 572287484 /nfs/dbraw/zinc/28/74/84/572287484.db2.gz OPUXZGAJZYNSNJ-HUTJOEHLSA-N 0 0 540.524 5.184 50 30 KKEARN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2OC)C4=O)cc1 ZINC000253412185 572287827 /nfs/dbraw/zinc/28/78/27/572287827.db2.gz QDLWRDSZOGWSBK-KAECXJSPSA-N 0 0 638.669 6.408 50 30 KKEARN COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C/c2cn(C)c3ccccc23)C4=O)cc1OC ZINC000253412635 572288048 /nfs/dbraw/zinc/28/80/48/572288048.db2.gz ROWLWFTYJLWEMB-YTFRCDPQSA-N 0 0 511.530 5.261 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1 ZINC000253412477 572288095 /nfs/dbraw/zinc/28/80/95/572288095.db2.gz RCKVHVSVSXHFLH-BELHPSACSA-N 0 0 518.565 6.374 50 30 KKEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)CC(=O)O3 ZINC000253413313 572288409 /nfs/dbraw/zinc/28/84/09/572288409.db2.gz ULSLKBBEHSPZGM-KAECXJSPSA-N 0 0 530.576 6.300 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000253470778 572289452 /nfs/dbraw/zinc/28/94/52/572289452.db2.gz DEJMQDDUCCYKPN-RUZDIDTESA-N 0 0 583.504 5.041 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000253470779 572289513 /nfs/dbraw/zinc/28/95/13/572289513.db2.gz DEJMQDDUCCYKPN-VWLOTQADSA-N 0 0 583.504 5.041 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000253471271 572289659 /nfs/dbraw/zinc/28/96/59/572289659.db2.gz OPACMWRZDCOYPZ-RUZDIDTESA-N 0 0 597.531 5.215 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000253487621 572290665 /nfs/dbraw/zinc/29/06/65/572290665.db2.gz MTAVHCRTRCFZBT-GOGZTAQTSA-N 0 0 603.472 5.980 50 30 KKEARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Br)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)cc1 ZINC000253487745 572290800 /nfs/dbraw/zinc/29/08/00/572290800.db2.gz PGUVADDWMVMXPD-LGTXBLIGSA-N 0 0 567.439 5.135 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000253487837 572290925 /nfs/dbraw/zinc/29/09/25/572290925.db2.gz RLWDGICRUMATSI-XDZVQPMWSA-N 0 0 577.851 6.025 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000253487892 572291033 /nfs/dbraw/zinc/29/10/33/572291033.db2.gz SRROSFRNULPCOD-ZGFYEYRMSA-N 0 0 569.592 5.710 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000253488030 572291128 /nfs/dbraw/zinc/29/11/28/572291128.db2.gz VTOBPQBJDYLOMN-XDZVQPMWSA-N 0 0 632.308 5.590 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000253487989 572291139 /nfs/dbraw/zinc/29/11/39/572291139.db2.gz VEJSMGTXERMBJZ-ACZXLBTNSA-N 0 0 586.047 6.224 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000253487982 572291147 /nfs/dbraw/zinc/29/11/47/572291147.db2.gz UUGCVEQXKTZKHH-XDZVQPMWSA-N 0 0 622.302 6.134 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000253488120 572291299 /nfs/dbraw/zinc/29/12/99/572291299.db2.gz XIZNUTPRUXDUDV-XDZVQPMWSA-N 0 0 543.406 5.371 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000253488108 572291309 /nfs/dbraw/zinc/29/13/09/572291309.db2.gz XDOGVCPXVNRHKI-JSXYKOATSA-N 0 0 619.515 6.958 50 30 KKEARN O=[P@@](Oc1ccccc1)(O[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000253488169 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COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524730373 1069829782 /nfs/dbraw/zinc/82/97/82/1069829782.db2.gz GXPHACJLOXWWRC-MBSOXWKSSA-N 0 0 663.119 5.995 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2OCc2ccccn2)CC(=O)O3)C1=O ZINC000524730388 1069830981 /nfs/dbraw/zinc/83/09/81/1069830981.db2.gz HIWYQDCBTMGONH-KGLTWBCMSA-N 0 0 565.578 5.744 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1Br ZINC000002942331 1069843106 /nfs/dbraw/zinc/84/31/06/1069843106.db2.gz VZUDHRILPOHFAI-QBFDKUOOSA-N 0 0 502.195 7.988 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)OCCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000409414431 1069846997 /nfs/dbraw/zinc/84/69/97/1069846997.db2.gz VLMAOZSPUIFNLW-BWWBUEQCSA-N 0 0 530.903 11.135 50 30 KKEARN CCCC(=O)C1=C(NCCCCCCNC2=C(C(=O)CCC)C(=O)CC(C)(C)C2)CC(C)(C)CC1=O ZINC000102942623 1070931188 /nfs/dbraw/zinc/93/11/88/1070931188.db2.gz DLJFGHSJGKRAGR-UHFFFAOYSA-N 0 0 500.724 5.751 50 30 KKEARN Cc1c(Sc2ccccc2[N+](=O)[O-])c2ccccn2c1/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000102940185 1070977723 /nfs/dbraw/zinc/97/77/23/1070977723.db2.gz DDEAHKFLMFSWKZ-BXVZCJGGSA-N 0 0 545.617 6.673 50 30 KKEARN CCCCCCCCOc1ccc([C@H](CC(=O)OC)C2C(=O)C[C@@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000888088655 1071056413 /nfs/dbraw/zinc/05/64/13/1071056413.db2.gz KKPBQVCZGOEBOA-HDCDIIAKSA-N 0 0 629.146 7.178 50 30 KKEARN Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2[N+](=O)[O-])cc1 ZINC000102970280 1071054984 /nfs/dbraw/zinc/05/49/84/1071054984.db2.gz GABVIRQCRAFVGR-IDUWFGFVSA-N 0 0 544.654 7.060 50 30 KKEARN COc1ccc(CCNC(=O)C[C@@H](c2cc3ccccc3[nH]c2=O)C2C(=O)C[C@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000888088528 1071055765 /nfs/dbraw/zinc/05/57/65/1071055765.db2.gz DTGUFIHTLXUEAY-JEAROSLPSA-N 0 0 687.145 5.887 50 30 KKEARN COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089765 1071061830 /nfs/dbraw/zinc/06/18/30/1071061830.db2.gz GGEAXUUBIYQION-NQUPLYSKSA-N 0 0 595.004 5.021 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3cn(CCC(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)cc1 ZINC000888090131 1071063679 /nfs/dbraw/zinc/06/36/79/1071063679.db2.gz DIKPVBJUMTYAKN-HKBQPEDESA-N 0 0 541.736 8.276 50 30 KKEARN COC(=O)C[C@@H](c1ccccc1OCc1ccccn1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089345 1071060102 /nfs/dbraw/zinc/06/01/02/1071060102.db2.gz WJVWAXOLLMIJNE-JKPODABLSA-N 0 0 608.043 5.413 50 30 KKEARN C=C(C)COc1ccc([C@H](CC(=O)OC)C2C(=O)C[C@H](C)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C2=O)cc1 ZINC000888090457 1071065356 /nfs/dbraw/zinc/06/53/56/1071065356.db2.gz AKEGPYUCWDWZTN-FZPGBYKISA-N 0 0 571.022 5.394 50 30 KKEARN COC(=O)C[C@@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)C1C(=O)C[C@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090801 1071066610 /nfs/dbraw/zinc/06/66/10/1071066610.db2.gz VOBDBVXMMCXYIN-RZRWHPASSA-N 0 0 694.133 5.985 50 30 KKEARN CCCCCCCCn1c(=S)n(CN2CCN(C/C=C\c3ccccc3)CC2)nc1-c1ccc(Cl)cc1 ZINC000102991630 1071080565 /nfs/dbraw/zinc/08/05/65/1071080565.db2.gz SBRUAKYDACPSDL-KAMYIIQDSA-N 0 0 538.205 7.383 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000018183165 1071121926 /nfs/dbraw/zinc/12/19/26/1071121926.db2.gz XIDZIXNIYTWSEL-WPWMEQJKSA-N 0 0 503.664 7.036 50 30 KKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000108647969 1071128223 /nfs/dbraw/zinc/12/82/23/1071128223.db2.gz KBZJKAXKRHPQAC-UHFFFAOYSA-N 0 0 505.327 6.114 50 30 KKEARN CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000169818356 1071134374 /nfs/dbraw/zinc/13/43/74/1071134374.db2.gz PSMPXSKUQDQREP-UHFFFAOYSA-N 0 0 589.852 12.398 50 30 KKEARN CCCCCCCCCCCCCCC[C@@](O)(CC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817348 1071132955 /nfs/dbraw/zinc/13/29/55/1071132955.db2.gz JETQITUBPKDAHB-PSXMRANNSA-N 0 0 528.897 8.318 50 30 KKEARN CCCCCCCCCCCCCCC[C@](O)(CC)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169817345 1071133033 /nfs/dbraw/zinc/13/30/33/1071133033.db2.gz JETQITUBPKDAHB-BHVANESWSA-N 0 0 528.897 8.318 50 30 KKEARN CC(C)[Si](C#Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#C[Si](C)(C)C)cc3)cc2)cc1)(C(C)C)C(C)C ZINC000169982879 1071150701 /nfs/dbraw/zinc/15/07/01/1071150701.db2.gz VBVUINULPRUAAZ-UHFFFAOYSA-N 0 0 554.926 9.285 50 30 KKEARN CCCC/N=C(/C=C1\SN(c2cccc3ccccc32)C(=S)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096022552 1071160213 /nfs/dbraw/zinc/16/02/13/1071160213.db2.gz ZBRMTAKBASFZKB-KYVXEZMDSA-N 0 0 562.591 9.537 50 30 KKEARN CC1=CC[C@@H]([C@@H](C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC000150343146 1071169801 /nfs/dbraw/zinc/16/98/01/1071169801.db2.gz TXATWWMPVSGDTM-VHSXEESVSA-N 0 0 656.314 10.039 50 30 KKEARN N#CCCN(CCN(CCC#N)C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000150563517 1071174154 /nfs/dbraw/zinc/17/41/54/1071174154.db2.gz TUZUHZYVIRGEAK-FWQLXOFSSA-N 0 0 710.728 8.155 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C\c3ccc(OC(F)F)cc3OC(F)F)cc2)CC1 ZINC000033616019 1071200112 /nfs/dbraw/zinc/20/01/12/1071200112.db2.gz BAGUUYRXLUSQIQ-UITAMQMPSA-N 0 0 501.498 5.206 50 30 KKEARN COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)/C=C\c1ccc(OCC#N)c(OC)c1)oc1ccccc12 ZINC000033657717 1071200632 /nfs/dbraw/zinc/20/06/32/1071200632.db2.gz NQGYWEBHOZQEAP-FPISAVPCSA-N 0 0 500.507 5.089 50 30 KKEARN O=C1C=CC(=C2Nc3cc(S(=O)(=O)c4ccc5c(c4)NC(=C4C=CC(=O)C=C4)C(c4ccccc4)=N5)ccc3N=C2c2ccccc2)C=C1 ZINC000195798162 1071205928 /nfs/dbraw/zinc/20/59/28/1071205928.db2.gz UKURGMNYUQFWRB-UHFFFAOYSA-N 0 0 658.739 7.510 50 30 KKEARN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccnc2ccccc21 ZINC000245237562 1071254106 /nfs/dbraw/zinc/25/41/06/1071254106.db2.gz NPMIODMZVRTOMZ-QNPATHGVSA-N 0 0 555.143 7.975 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)cc1OC ZINC000604403983 1071268692 /nfs/dbraw/zinc/26/86/92/1071268692.db2.gz HESUTYSLFMTALY-OCHQUJFWSA-N 0 0 590.628 6.317 50 30 KKEARN C=C(C)COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2)C4=O)ccc1OC ZINC000604404880 1071271086 /nfs/dbraw/zinc/27/10/86/1071271086.db2.gz HXPZQIMNBDXWMX-OJAWRPIQSA-N 0 0 528.557 5.725 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000604405156 1071271939 /nfs/dbraw/zinc/27/19/39/1071271939.db2.gz LFECGZADHFAAKT-LGAJYOLISA-N 0 0 664.498 5.103 50 30 KKEARN COc1cc(C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000606442526 1071277192 /nfs/dbraw/zinc/27/71/92/1071277192.db2.gz UPCBFWBUQDBUOZ-VXLYETTFSA-N 0 0 532.394 6.256 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3c(c2)oc(=O)cc3C(F)(F)F)C[C@H]1C ZINC000824567449 1071282279 /nfs/dbraw/zinc/28/22/79/1071282279.db2.gz SFHPECQEZWIQMP-NDHGSNPTSA-N 0 0 549.885 5.401 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2cccc3[nH]ccc32)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595855 1071282961 /nfs/dbraw/zinc/28/29/61/1071282961.db2.gz HAAREGSXUYOKQT-NNQZDPBTSA-N 0 0 661.107 5.778 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCCc2nc3ccccc3[nH]2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595805 1071283042 /nfs/dbraw/zinc/28/30/42/1071283042.db2.gz BBFZOTQBJKSGLS-FANKHZBVSA-N 0 0 690.149 5.606 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596336 1071283625 /nfs/dbraw/zinc/28/36/25/1071283625.db2.gz PSWXYGGAORRYLJ-MVZVTXCFSA-N 0 0 676.122 5.734 50 30 KKEARN O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3cccc(I)c3)cc2)[C@H]1c1ccccc1 ZINC000105978986 1071291387 /nfs/dbraw/zinc/29/13/87/1071291387.db2.gz VQQYMPGBTGRFNS-WHEGXDIJSA-N 0 0 526.377 7.143 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000217696751 1071292119 /nfs/dbraw/zinc/29/21/19/1071292119.db2.gz PWQPUCYSRZKYQY-JVAFGIKQSA-N 0 0 583.584 6.206 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OC)c3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 ZINC000217835137 1071293141 /nfs/dbraw/zinc/29/31/41/1071293141.db2.gz RYQDEFPSGSLRKS-LJAKKAIASA-N 0 0 578.617 6.391 50 30 biogenic KKEARN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1=Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000102886884 1071304242 /nfs/dbraw/zinc/30/42/42/1071304242.db2.gz RGDQEORXPPPHRC-DHRITJCHSA-N 0 0 536.053 7.022 50 30 KKEARN O=C(CC12CC3CC(CC(C3)C1)C2)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000886012592 1071315495 /nfs/dbraw/zinc/31/54/95/1071315495.db2.gz LQBPLNDZIWEDDR-UHFFFAOYSA-N 0 0 511.407 5.627 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000886016243 1071315762 /nfs/dbraw/zinc/31/57/62/1071315762.db2.gz JCYAVXJZJVSXKV-XHADCYNJSA-N 0 0 531.016 5.611 50 30 KKEARN Cc1ccc(N(CCC#N)C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2c(F)cccc2Cl)CC3)cc1 ZINC000103079759 1071331683 /nfs/dbraw/zinc/33/16/83/1071331683.db2.gz AKDNEFRVSNUAHH-UZYVYHOESA-N 0 0 554.021 6.926 50 30 KKEARN C=CCN(C(=O)COC(=O)/C=C\c1c(C)nn(Cc2ccccc2)c1Cl)c1nc(-c2ccccc2)cs1 ZINC000103055167 1071329744 /nfs/dbraw/zinc/32/97/44/1071329744.db2.gz NVHQDLAVUDKDNN-PFONDFGASA-N 0 0 533.053 5.792 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)cc1 ZINC000103104774 1071336023 /nfs/dbraw/zinc/33/60/23/1071336023.db2.gz ZNWDOKTWICARTK-SSVKHQHASA-N 0 0 551.521 5.287 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](OC(=O)n5ccnc5C)CC[C@@]43C)[C@]1(C)CC2 ZINC000685945304 1072826049 /nfs/dbraw/zinc/82/60/49/1072826049.db2.gz AGEFBLUUTICBNC-JSNVXLAVSA-N 0 0 592.821 7.554 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)n3cncn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945375 1072827010 /nfs/dbraw/zinc/82/70/10/1072827010.db2.gz IPOQBGHDGIRQHT-KUWYHPFGSA-N 0 0 602.824 7.221 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCCC ZINC000685945426 1072827847 /nfs/dbraw/zinc/82/78/47/1072827847.db2.gz NUUGRMQJUZCBEC-MTMYUBFHSA-N 0 0 529.781 7.414 50 30 KKEARN Cc1nccn1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)n4ccnc4C)CC[C@]23C)C1(C)C ZINC000685945420 1072827937 /nfs/dbraw/zinc/82/79/37/1072827937.db2.gz NLYKTHVFWIRDBL-JVFRRRQESA-N 0 0 642.885 8.227 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=Nc3ccc(I)cc3)=C2N2CCOCC2)cc1 ZINC000245265806 1072830854 /nfs/dbraw/zinc/83/08/54/1072830854.db2.gz IFEWKJVZZBYCPU-RUYJFOTNSA-N 0 0 541.477 6.303 50 30 KKEARN CCCCCCC[C@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(I)cc3)cc2)NC1=O ZINC000252487116 1072834586 /nfs/dbraw/zinc/83/45/86/1072834586.db2.gz ROWDXNDUOUVRSZ-OAQYLSRUSA-N 0 0 599.516 5.341 50 30 KKEARN CCCCCCC[C@@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)NC1=O ZINC000252487538 1072835124 /nfs/dbraw/zinc/83/51/24/1072835124.db2.gz YVGWJOFYABFFGC-VWLOTQADSA-N 0 0 559.754 6.042 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097999822 1072842144 /nfs/dbraw/zinc/84/21/44/1072842144.db2.gz IPKYEGBPJCQQCX-BWXVZPLGSA-N 0 0 610.795 8.491 50 30 KKEARN Oc1ccc2ccccc2c1C=Nc1ccc(-n2cnc3cc(N=Cc4c(O)ccc5ccccc54)ccc32)cc1 ZINC000254296308 1072845314 /nfs/dbraw/zinc/84/53/14/1072845314.db2.gz RQSQEMVCMVDPGR-UHFFFAOYSA-N 0 0 532.603 8.244 50 30 KKEARN O=[N+]([O-])c1ccc(/C=C2/CCC(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254301285 1072845342 /nfs/dbraw/zinc/84/53/42/1072845342.db2.gz CAXNUAHVFOHLJR-MKAIBWMRSA-N 0 0 579.701 5.879 50 30 KKEARN COc1cc(OC)c(OC)cc1C=Nc1ccc(N=Cc2cc(OC)c(OC)cc2OC)c([N+](=O)[O-])c1 ZINC000254302176 1072845796 /nfs/dbraw/zinc/84/57/96/1072845796.db2.gz AUXULHNQYNPZJN-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/50/32/16/551503216.db2.gz IRLCJGNREGDZMG-UHFFFAOYSA-N 0 0 550.051 6.217 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000000631098 551505020 /nfs/dbraw/zinc/50/50/20/551505020.db2.gz DBZFYQVBOOYEKY-JOCHJYFZSA-N 0 0 520.607 5.427 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000000647913 551508889 /nfs/dbraw/zinc/50/88/89/551508889.db2.gz OQUUNYCTZDPFOB-HRFSGMKKSA-N 0 0 507.652 5.739 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2F)cc1OC ZINC000000648427 551509549 /nfs/dbraw/zinc/50/95/49/551509549.db2.gz QJNPOUHLRDNJIG-FWUCURJTSA-N 0 0 541.619 5.990 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000000648497 551509907 /nfs/dbraw/zinc/50/99/07/551509907.db2.gz ATDQHMNXDFCBMR-XMMPIXPASA-N 0 0 512.400 5.178 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000000648512 551509922 /nfs/dbraw/zinc/50/99/22/551509922.db2.gz AVGGARYPVPEIMQ-AZVSZNIFSA-N 0 0 505.611 5.416 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000649061 551510381 /nfs/dbraw/zinc/51/03/81/551510381.db2.gz IUMLMLHBGSYXPO-BNHRFMORSA-N 0 0 553.655 6.208 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000649109 551510674 /nfs/dbraw/zinc/51/06/74/551510674.db2.gz BLQKAFDDZIRZRS-BVZFJXPGSA-N 0 0 515.528 5.647 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000000649201 551510679 /nfs/dbraw/zinc/51/06/79/551510679.db2.gz DBRALEWLKSXVJD-IVCQMTBJSA-N 0 0 572.452 5.018 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649377 551510935 /nfs/dbraw/zinc/51/09/35/551510935.db2.gz MDHBOHVDJGXQQN-RUZDIDTESA-N 0 0 540.454 5.814 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650086 551511933 /nfs/dbraw/zinc/51/19/33/551511933.db2.gz XHZQRKURTJBWQE-DJUQAAIZSA-N 0 0 559.659 5.728 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000650576 551512095 /nfs/dbraw/zinc/51/20/95/551512095.db2.gz XDRYYLOJUDFYLQ-PMERELPUSA-N 0 0 524.617 5.889 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3N2)cc1 ZINC000000659289 551515217 /nfs/dbraw/zinc/51/52/17/551515217.db2.gz UTWQIDTZDATZCR-JBZDTAIVSA-N 0 0 515.561 5.862 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000659571 551515376 /nfs/dbraw/zinc/51/53/76/551515376.db2.gz JTLSSSUGFQDQCN-HFJWLAOPSA-N 0 0 515.411 5.239 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COC(C)=O ZINC000000659909 551515682 /nfs/dbraw/zinc/51/56/82/551515682.db2.gz CBNFECAHLZFWQD-HLADLETHSA-N 0 0 551.643 5.462 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000000665629 551516962 /nfs/dbraw/zinc/51/69/62/551516962.db2.gz JMUMPGYNMJVAKS-UHFFFAOYSA-N 0 0 570.730 6.727 50 30 KKEARN Cc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)c2)c1 ZINC000000665661 551516974 /nfs/dbraw/zinc/51/69/74/551516974.db2.gz ULUWGSTUXDZZRE-UHFFFAOYSA-N 0 0 512.650 5.986 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1 ZINC000000665627 551516997 /nfs/dbraw/zinc/51/69/97/551516997.db2.gz XVKYVUKNWFUGFQ-UHFFFAOYSA-N 0 0 542.676 6.028 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000000665674 551517001 /nfs/dbraw/zinc/51/70/01/551517001.db2.gz BMPHIYQIEOVLCQ-UHFFFAOYSA-N 0 0 578.105 7.075 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)cc2Br)cc1Cl ZINC000000665770 551517159 /nfs/dbraw/zinc/51/71/59/551517159.db2.gz YJBGOPNXLFIVNP-UHFFFAOYSA-N 0 0 583.910 6.472 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Br)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000000665732 551517199 /nfs/dbraw/zinc/51/71/99/551517199.db2.gz RGXIHWLQFUATRS-UHFFFAOYSA-N 0 0 570.867 6.556 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665755 551517218 /nfs/dbraw/zinc/51/72/18/551517218.db2.gz QYZOPVNJHJVZEH-UHFFFAOYSA-N 0 0 535.040 5.718 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000666759 551517549 /nfs/dbraw/zinc/51/75/49/551517549.db2.gz WRUQTMPHGWJEAS-DEOSSOPVSA-N 0 0 512.002 5.410 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000000667288 551517962 /nfs/dbraw/zinc/51/79/62/551517962.db2.gz ZTLMTGVNSKVRLH-SANMLTNESA-N 0 0 577.657 6.025 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000000666949 551517967 /nfs/dbraw/zinc/51/79/67/551517967.db2.gz OFLICNMJLQEELX-SSOJOUAXSA-N 0 0 574.899 6.378 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000000667027 551517974 /nfs/dbraw/zinc/51/79/74/551517974.db2.gz HARPXAFXNFTIHE-PPHZAIPVSA-N 0 0 554.481 6.027 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000668229 551518130 /nfs/dbraw/zinc/51/81/30/551518130.db2.gz VHXAOBMYKVBQTF-XMMPIXPASA-N 0 0 525.483 6.560 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000673597 551520069 /nfs/dbraw/zinc/52/00/69/551520069.db2.gz IPWHDSCSOVFKGK-VWLOTQADSA-N 0 0 529.555 6.070 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000674205 551520946 /nfs/dbraw/zinc/52/09/46/551520946.db2.gz FJUMWPFHGOCJKP-OLILMLBXSA-N 0 0 513.550 5.533 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000000678719 551522600 /nfs/dbraw/zinc/52/26/00/551522600.db2.gz IHZUKYNPZCARTN-URAOTHONSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678671 551522630 /nfs/dbraw/zinc/52/26/30/551522630.db2.gz DZAIEBWDPSUVHC-VKGTZQKMSA-N 0 0 521.610 5.034 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000000678842 551522743 /nfs/dbraw/zinc/52/27/43/551522743.db2.gz CAGHNGXGJJFQLW-AVRWGWEMSA-N 0 0 526.427 5.391 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000000678894 551523094 /nfs/dbraw/zinc/52/30/94/551523094.db2.gz HRTQWKVYYXSVFO-GTYOFVGBSA-N 0 0 539.628 6.421 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccco2)cc1 ZINC000000681770 551524763 /nfs/dbraw/zinc/52/47/63/551524763.db2.gz XBERHAOLEBHNRL-UZTOHYMASA-N 0 0 523.555 6.589 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000000685671 551525813 /nfs/dbraw/zinc/52/58/13/551525813.db2.gz NRRUCRVGVRPCRQ-GJBXTBEHSA-N 0 0 523.677 6.852 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000689794 551527232 /nfs/dbraw/zinc/52/72/32/551527232.db2.gz BCZGPLZVQHPJLZ-SLQAJWMNSA-N 0 0 530.571 5.982 50 30 KKEARN Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1 ZINC000000691381 551527248 /nfs/dbraw/zinc/52/72/48/551527248.db2.gz JMAFOPUOSLOMFZ-UHFFFAOYSA-N 0 0 512.404 5.628 50 30 aggregator KKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000000690436 551527293 /nfs/dbraw/zinc/52/72/93/551527293.db2.gz PTJFSOIDZBPRGK-NGOKVRLYSA-N 0 0 516.613 6.687 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000690018 551527310 /nfs/dbraw/zinc/52/73/10/551527310.db2.gz RHLHQYIWBPFVOZ-QHCPKHFHSA-N 0 0 514.544 5.965 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000702745 551529819 /nfs/dbraw/zinc/52/98/19/551529819.db2.gz CPVIOIUNVGCLJS-IAPPQJPRSA-N 0 0 513.590 5.422 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000702746 551529893 /nfs/dbraw/zinc/52/98/93/551529893.db2.gz CPVIOIUNVGCLJS-IXCJQBJRSA-N 0 0 513.590 5.422 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000000702688 551529912 /nfs/dbraw/zinc/52/99/12/551529912.db2.gz KPKBKBOHRZFBOQ-WNCULLNHSA-N 0 0 523.626 5.276 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000000702974 551530190 /nfs/dbraw/zinc/53/01/90/551530190.db2.gz ZUCYKRLNNMDDBJ-MUUNZHRXSA-N 0 0 543.620 5.731 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000000703134 551530787 /nfs/dbraw/zinc/53/07/87/551530787.db2.gz GFKZPNOOJOEKCJ-VWLOTQADSA-N 0 0 510.571 6.533 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000000703094 551530808 /nfs/dbraw/zinc/53/08/08/551530808.db2.gz BZDYDESTEZRCRT-GDLZYMKVSA-N 0 0 553.567 5.417 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000707868 551531817 /nfs/dbraw/zinc/53/18/17/551531817.db2.gz SCAWVRBZXJCQEC-PIKZIKFNSA-N 0 0 538.040 5.977 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000000708166 551532117 /nfs/dbraw/zinc/53/21/17/551532117.db2.gz ZZISXLNUWTZCRV-XHCCPWGMSA-N 0 0 584.507 6.123 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708015 551532177 /nfs/dbraw/zinc/53/21/77/551532177.db2.gz CKODWWPLGXLAEV-XDBZFTIUSA-N 0 0 536.024 5.925 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000000709960 551532860 /nfs/dbraw/zinc/53/28/60/551532860.db2.gz LWJVUWUMGLWPQZ-JWRCQZCYSA-N 0 0 528.992 6.443 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000709737 551532899 /nfs/dbraw/zinc/53/28/99/551532899.db2.gz NMRUPRKQZFLKFN-WVDZOPJMSA-N 0 0 515.522 5.320 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000000711266 551533363 /nfs/dbraw/zinc/53/33/63/551533363.db2.gz FYZMIIHJJJHJSJ-USZFVNFHSA-N 0 0 527.365 5.701 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(SCC(=O)Nc2ccccc2)o1 ZINC000000712571 551533630 /nfs/dbraw/zinc/53/36/30/551533630.db2.gz ZEEGAQUVTJZWEW-SSEXGKCCSA-N 0 0 508.643 7.473 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(C)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000000713753 551533634 /nfs/dbraw/zinc/53/36/34/551533634.db2.gz IOYBXQBHUKEZLA-XPABLWIASA-N 0 0 512.609 6.347 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000000716022 551534309 /nfs/dbraw/zinc/53/43/09/551534309.db2.gz JOYRNJNCUATLTR-XMMPIXPASA-N 0 0 544.526 5.970 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000000717739 551534795 /nfs/dbraw/zinc/53/47/95/551534795.db2.gz LJUZQRQBCIVPKN-GYCJOSAFSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3cccnc3)C2)cc1 ZINC000000718156 551535204 /nfs/dbraw/zinc/53/52/04/551535204.db2.gz MGPZATPNNPHAPT-WYOOIXGGSA-N 0 0 591.664 6.330 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000000719941 551536541 /nfs/dbraw/zinc/53/65/41/551536541.db2.gz JDFUREILPWEIOS-PLTNMMHCSA-N 0 0 558.631 6.016 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000000729514 551539341 /nfs/dbraw/zinc/53/93/41/551539341.db2.gz ZSEMYKZZOZRERI-OLRZCDJHSA-N 0 0 551.039 6.450 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000781361 551542080 /nfs/dbraw/zinc/54/20/80/551542080.db2.gz WERTVQKMNOZOJA-GTYOFVGBSA-N 0 0 539.628 5.817 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000000797895 551543230 /nfs/dbraw/zinc/54/32/30/551543230.db2.gz UWNSODAXIAXQBH-DEOSSOPVSA-N 0 0 546.963 5.577 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@H](c2cc(Br)cc(Br)c2O)C2=C(CC(C)(C)CC2=O)N1 ZINC000000825848 551544910 /nfs/dbraw/zinc/54/49/10/551544910.db2.gz IRAWZXNAJKVOTF-SFHVURJKSA-N 0 0 527.253 5.473 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000000861314 551551235 /nfs/dbraw/zinc/55/12/35/551551235.db2.gz KHQUNXVLPVWIQM-CHJDUVSTSA-N 0 0 574.073 6.210 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000000861379 551551280 /nfs/dbraw/zinc/55/12/80/551551280.db2.gz YUNIIDWXEBEALJ-PBBNMVCDSA-N 0 0 531.649 5.950 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000000861327 551551330 /nfs/dbraw/zinc/55/13/30/551551330.db2.gz KQOWMLIMJYONIQ-IBVKSMDESA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000861486 551551510 /nfs/dbraw/zinc/55/15/10/551551510.db2.gz PCNVRXKFYOQXIS-IIMAJNMQSA-N 0 0 561.675 5.959 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000000861392 551551556 /nfs/dbraw/zinc/55/15/56/551551556.db2.gz FKTHINREAMZRNK-NFQMXDRXSA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000000863461 551551997 /nfs/dbraw/zinc/55/19/97/551551997.db2.gz HUOSEOAAZFUXFK-CRICUBBOSA-N 0 0 530.448 6.324 50 30 KKEARN CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000864958 551552367 /nfs/dbraw/zinc/55/23/67/551552367.db2.gz CBOCRASEOKOXNZ-NDEPHWFRSA-N 0 0 509.562 5.989 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000000867319 551553387 /nfs/dbraw/zinc/55/33/87/551553387.db2.gz AKWOXFZBZVQYNZ-IVCQMTBJSA-N 0 0 512.484 5.760 50 30 KKEARN O=C(c1cc(Cl)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Br)cc2c1OCOC2 ZINC000000940985 551587912 /nfs/dbraw/zinc/58/79/12/551587912.db2.gz IBXMMFUMFDZWCY-RPWUZVMVSA-N 0 0 501.760 5.871 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccccc1 ZINC000000949833 551588785 /nfs/dbraw/zinc/58/87/85/551588785.db2.gz CCDZXJJTFCEYSA-UHFFFAOYSA-N 0 0 526.485 5.672 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccncc1 ZINC000000949867 551588870 /nfs/dbraw/zinc/58/88/70/551588870.db2.gz TZKSWEUGHXZJOL-UHFFFAOYSA-N 0 0 527.473 5.067 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000000959794 551590105 /nfs/dbraw/zinc/59/01/05/551590105.db2.gz ZWTKZYFDOZEYQP-FQEVSTJZSA-N 0 0 506.559 5.722 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccccc2Cl)cc1 ZINC000000970050 551590719 /nfs/dbraw/zinc/59/07/19/551590719.db2.gz VQMQBZHHGLPEHF-BGOLNKOXSA-N 0 0 515.053 7.295 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000000976838 551591061 /nfs/dbraw/zinc/59/10/61/551591061.db2.gz KXRJSSADARZKCG-WTDSCPOPSA-N 0 0 549.664 5.814 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000000986542 551592752 /nfs/dbraw/zinc/59/27/52/551592752.db2.gz DYGSCRGUUAAMON-QXNWPYRLSA-N 0 0 501.586 6.305 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000000985928 551592767 /nfs/dbraw/zinc/59/27/67/551592767.db2.gz JRGWDTTXIFPOFJ-ADSBAMQRSA-N 0 0 530.596 6.162 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000000985930 551592791 /nfs/dbraw/zinc/59/27/91/551592791.db2.gz JRGWDTTXIFPOFJ-QTEAWJPNSA-N 0 0 530.596 6.162 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000000998678 551595074 /nfs/dbraw/zinc/59/50/74/551595074.db2.gz QVPHYQXVHPFHMT-CAQRMWTPSA-N 0 0 523.677 6.852 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000998519 551595098 /nfs/dbraw/zinc/59/50/98/551595098.db2.gz BHBMABIGFAVFKB-MHZLTWQESA-N 0 0 519.985 7.061 50 30 KKEARN COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1Br ZINC000001001007 551595731 /nfs/dbraw/zinc/59/57/31/551595731.db2.gz MGYLQOBMHYDHJW-JOCHJYFZSA-N 0 0 553.375 6.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000001010308 551596741 /nfs/dbraw/zinc/59/67/41/551596741.db2.gz 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/nfs/dbraw/zinc/60/38/59/551603859.db2.gz UIGMDBNXBLASND-XBBWARJSSA-N 0 0 525.601 5.649 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000001077044 551604336 /nfs/dbraw/zinc/60/43/36/551604336.db2.gz IYBVGXTVAJUOFF-KWMCUTETSA-N 0 0 519.439 6.754 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001076867 551604387 /nfs/dbraw/zinc/60/43/87/551604387.db2.gz HNJGJVPYICDEEU-LDLUVENISA-N 0 0 579.491 6.853 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)cc(Br)c1O ZINC000001077115 551604607 /nfs/dbraw/zinc/60/46/07/551604607.db2.gz FZTRBCOBZGCJTQ-SOKVYYICSA-N 0 0 535.438 6.542 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000001077362 551604858 /nfs/dbraw/zinc/60/48/58/551604858.db2.gz JLANFYPDAWHHAF-KUNJGFBQSA-N 0 0 537.012 6.060 50 30 KKEARN CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c1 ZINC000001077415 551604882 /nfs/dbraw/zinc/60/48/82/551604882.db2.gz AEZHJBDXAWWMLI-ADXZGYQBSA-N 0 0 500.595 6.091 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2cnc3ccccc3n2)c1 ZINC000001088154 551606637 /nfs/dbraw/zinc/60/66/37/551606637.db2.gz GTKUNYWYUIXHJZ-JRPXNJEYSA-N 0 0 501.590 5.334 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(Br)cc1OC ZINC000001089465 551606949 /nfs/dbraw/zinc/60/69/49/551606949.db2.gz MSQOICRCMLBJKB-MCMMXHMISA-N 0 0 518.429 5.062 50 30 KKEARN COc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1OCc1ccccc1C#N ZINC000001096225 551607612 /nfs/dbraw/zinc/60/76/12/551607612.db2.gz BQZBYJXFEWUGJZ-ATZGPIRCSA-N 0 0 525.630 6.360 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001107206 551610538 /nfs/dbraw/zinc/61/05/38/551610538.db2.gz WWQPTOWWYNKAGG-XMMPIXPASA-N 0 0 510.974 5.604 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001111155 551611299 /nfs/dbraw/zinc/61/12/99/551611299.db2.gz IFQPSCALQUNFFU-WKRVVKTRSA-N 0 0 583.641 5.929 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000001118968 551612545 /nfs/dbraw/zinc/61/25/45/551612545.db2.gz GMADZTYVWKIUNM-CQSZACIVSA-N 0 0 523.968 5.358 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001120705 551612981 /nfs/dbraw/zinc/61/29/81/551612981.db2.gz UGNXIIACIUIKOC-LJAQVGFWSA-N 0 0 521.529 6.044 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)s1 ZINC000001122689 551613273 /nfs/dbraw/zinc/61/32/73/551613273.db2.gz NWBKQIKQKCAXLQ-PRAQEBQASA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2OC)cc1OC ZINC000001123297 551613442 /nfs/dbraw/zinc/61/34/42/551613442.db2.gz BWUAZFHBAMPFTM-JPZYQRIQSA-N 0 0 538.644 6.021 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000001123852 551613751 /nfs/dbraw/zinc/61/37/51/551613751.db2.gz HAANTQCRBOPHAB-CQSZACIVSA-N 0 0 550.429 5.035 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001129796 551615361 /nfs/dbraw/zinc/61/53/61/551615361.db2.gz PETUSRGDYYUVQO-URAOTHONSA-N 0 0 551.595 5.808 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001130075 551615388 /nfs/dbraw/zinc/61/53/88/551615388.db2.gz PETOHSRCCALPSR-NFQMXDRXSA-N 0 0 514.534 5.301 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000001148973 551619045 /nfs/dbraw/zinc/61/90/45/551619045.db2.gz GLYFMFTXGWLWKG-QRQCRPRQSA-N 0 0 502.430 5.444 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Br)c2)cc1OC ZINC000001177510 551620667 /nfs/dbraw/zinc/62/06/67/551620667.db2.gz FZNDIGWTTRIPRM-CLYVBNDRSA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Br)c2)cc1OC ZINC000001177507 551620732 /nfs/dbraw/zinc/62/07/32/551620732.db2.gz FZNDIGWTTRIPRM-XRHLQHRESA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000001181910 551620846 /nfs/dbraw/zinc/62/08/46/551620846.db2.gz LSBRICPLGPFHAA-OQRWROFFSA-N 0 0 505.958 6.245 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000001182247 551621087 /nfs/dbraw/zinc/62/10/87/551621087.db2.gz BSKBNXHQNOUPBV-MRDQGFSESA-N 0 0 505.412 6.533 50 30 KKEARN COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(Br)c(OC)c1OC ZINC000001186960 551621104 /nfs/dbraw/zinc/62/11/04/551621104.db2.gz WDUZTMCWTIJANI-QHCPKHFHSA-N 0 0 515.448 6.314 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000001201581 551623496 /nfs/dbraw/zinc/62/34/96/551623496.db2.gz XTOKWTPBUWQIBS-WBBHLRKXSA-N 0 0 537.612 5.571 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000001202081 551623527 /nfs/dbraw/zinc/62/35/27/551623527.db2.gz RCYREOWYMTYXMJ-VVFBEHOQSA-N 0 0 523.629 5.851 50 30 KKEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000001201532 551623535 /nfs/dbraw/zinc/62/35/35/551623535.db2.gz ZJBFZCYYKORPJB-SUYBVONHSA-N 0 0 521.613 5.759 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000001202076 551623554 /nfs/dbraw/zinc/62/35/54/551623554.db2.gz RCYREOWYMTYXMJ-NJHZRGNWSA-N 0 0 523.629 5.851 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccccc2Br)cc1 ZINC000001201664 551623603 /nfs/dbraw/zinc/62/36/03/551623603.db2.gz MDMIADAUAMEEGS-IQGLISFBSA-N 0 0 510.428 5.771 50 30 KKEARN Cn1c(Oc2cccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000001218917 551627399 /nfs/dbraw/zinc/62/73/99/551627399.db2.gz VNSBNIGRADCGRT-MHZLTWQESA-N 0 0 561.642 5.226 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001261524 551633688 /nfs/dbraw/zinc/63/36/88/551633688.db2.gz JKUBBKLSTHOFOP-WVXBCFDCSA-N 0 0 534.637 6.749 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1O ZINC000001261736 551633717 /nfs/dbraw/zinc/63/37/17/551633717.db2.gz YBDXNZXZKZMKKC-VULFUBBASA-N 0 0 579.314 5.700 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001278775 551636053 /nfs/dbraw/zinc/63/60/53/551636053.db2.gz VAIQPVOFJXFCAX-JOCHJYFZSA-N 0 0 551.430 6.283 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000001279655 551636333 /nfs/dbraw/zinc/63/63/33/551636333.db2.gz DJXROCSDUAQKDR-AHKZPQOWSA-N 0 0 554.440 6.711 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccccn1 ZINC000001283253 551636749 /nfs/dbraw/zinc/63/67/49/551636749.db2.gz DQUWQGROJMQSHJ-UHFFFAOYSA-N 0 0 588.123 5.544 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000001293532 551637361 /nfs/dbraw/zinc/63/73/61/551637361.db2.gz BVTQPPNNKUMGBJ-QNLPTKCRSA-N 0 0 538.644 6.429 50 30 KKEARN O=S(=O)(/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000001323829 551642230 /nfs/dbraw/zinc/64/22/30/551642230.db2.gz ZRGNXTWQXQARMQ-ZZULHHKVSA-N 0 0 518.205 6.270 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000001409571 551663942 /nfs/dbraw/zinc/66/39/42/551663942.db2.gz FOCITIUZAJEGEH-DCFHFQCYSA-N 0 0 506.524 6.467 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001411029 551664484 /nfs/dbraw/zinc/66/44/84/551664484.db2.gz JMAJBTWTNUQUON-SANMLTNESA-N 0 0 500.982 6.041 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000001411046 551664674 /nfs/dbraw/zinc/66/46/74/551664674.db2.gz ANTOFYBIYKXPDY-MUUNZHRXSA-N 0 0 526.589 5.405 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)C(F)(F)F)[C@@H]3c3cccs3)C2)cc1 ZINC000001413000 551665166 /nfs/dbraw/zinc/66/51/66/551665166.db2.gz PURXEQFBZQESMW-CRICUBBOSA-N 0 0 512.553 6.528 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413403 551665444 /nfs/dbraw/zinc/66/54/44/551665444.db2.gz OTWUBZZULRYWKJ-JOCHJYFZSA-N 0 0 506.967 5.750 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413424 551665500 /nfs/dbraw/zinc/66/55/00/551665500.db2.gz MFCQDXZQTLUNGN-SANMLTNESA-N 0 0 561.432 5.769 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 ZINC000001413442 551665711 /nfs/dbraw/zinc/66/57/11/551665711.db2.gz WIWPKEPHHNDTSG-DEOSSOPVSA-N 0 0 517.379 5.457 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001413474 551665753 /nfs/dbraw/zinc/66/57/53/551665753.db2.gz WDTHGDMPQDLKRI-SANMLTNESA-N 0 0 516.981 5.660 50 30 KKEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1 ZINC000001413450 551665881 /nfs/dbraw/zinc/66/58/81/551665881.db2.gz HPKZYPKLYZRKMQ-DEOSSOPVSA-N 0 0 519.370 5.891 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414778 551666534 /nfs/dbraw/zinc/66/65/34/551666534.db2.gz YXMZIVCFAQWSPQ-RUZDIDTESA-N 0 0 502.954 5.357 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414753 551666603 /nfs/dbraw/zinc/66/66/03/551666603.db2.gz PWYKMCJOMPTJQJ-SANMLTNESA-N 0 0 500.526 5.232 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccsc1 ZINC000001421894 551668532 /nfs/dbraw/zinc/66/85/32/551668532.db2.gz CPAVQABVMIQGDU-MRXNPFEDSA-N 0 0 516.113 6.709 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2c(Cl)cccc2Cl)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000001422871 551668776 /nfs/dbraw/zinc/66/87/76/551668776.db2.gz PDZSQQKWVWWDPD-SKTJCASZSA-N 0 0 562.515 6.549 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001422755 551668787 /nfs/dbraw/zinc/66/87/87/551668787.db2.gz JAWBIOILPSGLPP-IEXUWNMDSA-N 0 0 507.652 5.551 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001423003 551668801 /nfs/dbraw/zinc/66/88/01/551668801.db2.gz UWKGGXWZNIEROE-OWAUWMPXSA-N 0 0 553.677 5.259 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccccc1 ZINC000001423060 551669025 /nfs/dbraw/zinc/66/90/25/551669025.db2.gz AHLXDZYIOGMAPN-GOSISDBHSA-N 0 0 510.084 6.648 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000001429718 551669661 /nfs/dbraw/zinc/66/96/61/551669661.db2.gz YVQKVLFLQHQBKL-CRYYWNKWSA-N 0 0 518.610 5.905 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001427578 551669706 /nfs/dbraw/zinc/66/97/06/551669706.db2.gz PZSMYODEBVBLBO-MRDQGFSESA-N 0 0 519.022 6.131 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001431209 551669959 /nfs/dbraw/zinc/66/99/59/551669959.db2.gz ZFCZCTGBUSFSJC-IBVKSMDESA-N 0 0 500.576 5.761 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001431227 551670202 /nfs/dbraw/zinc/67/02/02/551670202.db2.gz SQOPMRHBQJJUKC-PZGXJGMVSA-N 0 0 529.658 5.913 50 30 KKEARN COc1cc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000001432334 551670439 /nfs/dbraw/zinc/67/04/39/551670439.db2.gz PILHMTDKIAFBJY-QHCPKHFHSA-N 0 0 538.669 6.614 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001434627 551670650 /nfs/dbraw/zinc/67/06/50/551670650.db2.gz KREKJOJEBLKKAI-CMJOXMDJSA-N 0 0 518.448 6.211 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OCC)c(OC)c2)C3)cc(Cl)c1O ZINC000001434752 551671000 /nfs/dbraw/zinc/67/10/00/551671000.db2.gz FDLRMEUIOUVSDG-YRVHBCJASA-N 0 0 535.040 6.831 50 30 KKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000001437534 551671438 /nfs/dbraw/zinc/67/14/38/551671438.db2.gz WFFHMRMQMAYZPD-LDLUVENISA-N 0 0 500.595 6.091 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc(OC)c1OC ZINC000001437527 551671464 /nfs/dbraw/zinc/67/14/64/551671464.db2.gz SESRSICATWEMRN-WWOZWPLTSA-N 0 0 514.622 6.479 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000001438146 551671685 /nfs/dbraw/zinc/67/16/85/551671685.db2.gz YXPNQFSFFHALMC-XGCWNURASA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C2 ZINC000001437536 551671697 /nfs/dbraw/zinc/67/16/97/551671697.db2.gz WFFHMRMQMAYZPD-RBSBEOHCSA-N 0 0 500.595 6.091 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(F)c(Br)c1 ZINC000001438845 551672373 /nfs/dbraw/zinc/67/23/73/551672373.db2.gz TUYJBCITLACRKX-NSYGIPOTSA-N 0 0 528.418 5.910 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCc4ccccc4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000001438874 551672424 /nfs/dbraw/zinc/67/24/24/551672424.db2.gz IFBHOLABXZQMQW-PBBNMVCDSA-N 0 0 537.637 6.268 50 30 KKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1Br ZINC000001440254 551672788 /nfs/dbraw/zinc/67/27/88/551672788.db2.gz HTNKOVCVLBRTBF-JYRCXFKTSA-N 0 0 565.464 6.463 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445964 551674010 /nfs/dbraw/zinc/67/40/10/551674010.db2.gz WQXBWAFFWRXLDP-MRXNPFEDSA-N 0 0 521.611 6.438 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001449133 551674579 /nfs/dbraw/zinc/67/45/79/551674579.db2.gz HTEJIGXICJCHCW-RUZDIDTESA-N 0 0 530.602 5.885 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000001450342 551675144 /nfs/dbraw/zinc/67/51/44/551675144.db2.gz FBHAFASLLPZZCC-VWLOTQADSA-N 0 0 530.602 5.804 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000001450357 551675154 /nfs/dbraw/zinc/67/51/54/551675154.db2.gz MSFPJXKBLHUPFZ-XMMPIXPASA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001450364 551675666 /nfs/dbraw/zinc/67/56/66/551675666.db2.gz NUQVUXMVTIIUQS-VWLOTQADSA-N 0 0 546.601 5.422 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451426 551676035 /nfs/dbraw/zinc/67/60/35/551676035.db2.gz FLPKYQQEWGMLNH-DEOSSOPVSA-N 0 0 530.602 5.667 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001456274 551676711 /nfs/dbraw/zinc/67/67/11/551676711.db2.gz ZJKFKMZZGFQGFV-WGDIFIGCSA-N 0 0 523.651 5.621 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460739 551677997 /nfs/dbraw/zinc/67/79/97/551677997.db2.gz ISFRBLMCZHDYNQ-GHRAFVERSA-N 0 0 584.669 5.817 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2C)cc1 ZINC000001460746 551678010 /nfs/dbraw/zinc/67/80/10/551678010.db2.gz FISLJCVSCSURDZ-UVDDSOTQSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460773 551678202 /nfs/dbraw/zinc/67/82/02/551678202.db2.gz AHUWLCOXOJBNRW-UGDMGKLASA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000001460786 551678549 /nfs/dbraw/zinc/67/85/49/551678549.db2.gz GZSNMLDKOBIABS-NHRFMIRVSA-N 0 0 582.697 6.500 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460783 551678568 /nfs/dbraw/zinc/67/85/68/551678568.db2.gz UAZVHYCTMQAWEM-JPQMRUPTSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000001460788 551678589 /nfs/dbraw/zinc/67/85/89/551678589.db2.gz GZSNMLDKOBIABS-WYOOIXGGSA-N 0 0 582.697 6.500 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001460804 551678598 /nfs/dbraw/zinc/67/85/98/551678598.db2.gz OQKDXTVNJAMENF-ROTAYESASA-N 0 0 570.642 5.427 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460985 551679049 /nfs/dbraw/zinc/67/90/49/551679049.db2.gz XHXOHOMMJSDUDH-ZOYWYXQUSA-N 0 0 536.672 6.575 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(O)c2)cc1OC ZINC000001460991 551679058 /nfs/dbraw/zinc/67/90/58/551679058.db2.gz VVLUHOHDBHLQKR-CHJDUVSTSA-N 0 0 524.617 5.718 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461074 551679219 /nfs/dbraw/zinc/67/92/19/551679219.db2.gz YUECDQJVSAGNMJ-UDNBHOFDSA-N 0 0 568.670 6.117 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461084 551679498 /nfs/dbraw/zinc/67/94/98/551679498.db2.gz TULDWSLHSPHYAQ-WKRVVKTRSA-N 0 0 554.643 5.727 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461085 551679521 /nfs/dbraw/zinc/67/95/21/551679521.db2.gz TULDWSLHSPHYAQ-UVDDSOTQSA-N 0 0 554.643 5.727 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461081 551679539 /nfs/dbraw/zinc/67/95/39/551679539.db2.gz VLFWGPCPJUMCRI-JPQMRUPTSA-N 0 0 568.670 6.117 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000001474123 551680677 /nfs/dbraw/zinc/68/06/77/551680677.db2.gz QDKWGNWYSOVRKN-OAQYLSRUSA-N 0 0 506.580 5.037 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000001474122 551680738 /nfs/dbraw/zinc/68/07/38/551680738.db2.gz QDKWGNWYSOVRKN-NRFANRHFSA-N 0 0 506.580 5.037 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479970 551681537 /nfs/dbraw/zinc/68/15/37/551681537.db2.gz PHVBIUCKTWKAFW-HSZRJFAPSA-N 0 0 534.590 5.623 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001480649 551681910 /nfs/dbraw/zinc/68/19/10/551681910.db2.gz UPOMRMXERLLORY-DEOSSOPVSA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480850 551682364 /nfs/dbraw/zinc/68/23/64/551682364.db2.gz QBIDJEZRVNWVCS-DEOSSOPVSA-N 0 0 546.601 5.504 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001482267 551682593 /nfs/dbraw/zinc/68/25/93/551682593.db2.gz HIMSTRUEUSMNJW-VWLOTQADSA-N 0 0 560.628 5.812 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001482271 551682672 /nfs/dbraw/zinc/68/26/72/551682672.db2.gz KQRBFQFXLVSKEA-DEOSSOPVSA-N 0 0 530.602 5.804 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc([N+](=O)[O-])cc5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000001749305 551692805 /nfs/dbraw/zinc/69/28/05/551692805.db2.gz KSUFBZAVJSVEKY-OAHLLOKOSA-N 0 0 568.581 6.660 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001772335 551696724 /nfs/dbraw/zinc/69/67/24/551696724.db2.gz QCYOWAFGBDHRSN-QGZVFWFLSA-N 0 0 531.747 6.768 50 30 KKEARN CC(C)N(C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc21)C(C)C ZINC000001787492 551700848 /nfs/dbraw/zinc/70/08/48/551700848.db2.gz VEAJNTUNWPPZRD-UHFFFAOYSA-N 0 0 547.633 5.152 50 30 KKEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C[C@H](c1ccccc1)S[C@H]2c1ccccc1 ZINC000001789408 551701228 /nfs/dbraw/zinc/70/12/28/551701228.db2.gz PNONWGURJCLFLL-RPWUZVMVSA-N 0 0 511.697 6.867 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O)CCCC3 ZINC000001802710 551703921 /nfs/dbraw/zinc/70/39/21/551703921.db2.gz YULBZOGWKNWCBA-FQEVSTJZSA-N 0 0 528.099 5.490 50 30 KKEARN CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(OC(=O)c2sc3ccccc3c2Cl)C1 ZINC000001802789 551703949 /nfs/dbraw/zinc/70/39/49/551703949.db2.gz OMZKLIAGVYKIAD-UHFFFAOYSA-N 0 0 521.885 7.867 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001806862 551704717 /nfs/dbraw/zinc/70/47/17/551704717.db2.gz UJOIJCWBMMWWHG-UHFFFAOYSA-N 0 0 515.679 5.984 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccccc1 ZINC000001811285 551706250 /nfs/dbraw/zinc/70/62/50/551706250.db2.gz XMYQKXDSABPNGM-UHFFFAOYSA-N 0 0 516.479 6.216 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccccc1Cl ZINC000001811297 551706260 /nfs/dbraw/zinc/70/62/60/551706260.db2.gz OJSYEGUISBFOOX-UHFFFAOYSA-N 0 0 550.924 6.869 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000001815827 551707563 /nfs/dbraw/zinc/70/75/63/551707563.db2.gz VWFNWHGFJXOXJK-LWUPDDLQSA-N 0 0 551.451 5.531 50 30 KKEARN C=C(C)CNC(=S)NNc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001819074 551708464 /nfs/dbraw/zinc/70/84/64/551708464.db2.gz WXCMCFIFPHQBMD-UHFFFAOYSA-N 0 0 515.683 5.033 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000001820559 551708630 /nfs/dbraw/zinc/70/86/30/551708630.db2.gz ASTCLWVSROYXNJ-UHFFFAOYSA-N 0 0 571.102 7.136 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2cccc(Cl)c2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000001820804 551708810 /nfs/dbraw/zinc/70/88/10/551708810.db2.gz HUWQDWUPDIATTG-UHFFFAOYSA-N 0 0 561.494 7.527 50 30 KKEARN CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000001835305 551712056 /nfs/dbraw/zinc/71/20/56/551712056.db2.gz VXTKEQBTDANPLG-UHFFFAOYSA-N 0 0 509.286 7.240 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000001858401 551716681 /nfs/dbraw/zinc/71/66/81/551716681.db2.gz NPCUNQIFFLPHCZ-WKRVVKTRSA-N 0 0 531.608 6.368 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000001869184 551719081 /nfs/dbraw/zinc/71/90/81/551719081.db2.gz UGYJRLIZNWJWLW-GFCCVEGCSA-N 0 0 564.058 7.466 50 30 KKEARN COc1cccc(CN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)c1OC ZINC000001877567 551723261 /nfs/dbraw/zinc/72/32/61/551723261.db2.gz SSIHMWWVSUBFSM-GDLZYMKVSA-N 0 0 574.596 5.208 50 30 KKEARN COc1cccc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O ZINC000001882906 551724628 /nfs/dbraw/zinc/72/46/28/551724628.db2.gz KVCHMSCGXIOFED-BHGWPJFGSA-N 0 0 504.711 6.218 50 30 KKEARN O=C(Oc1cccc(Br)c1)c1ccc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000001883640 551724931 /nfs/dbraw/zinc/72/49/31/551724931.db2.gz UZEYMKLQTVXEKL-STBIYBPSSA-N 0 0 513.416 7.696 50 30 KKEARN COc1cc(CN2C(=O)[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1 ZINC000001889731 551726265 /nfs/dbraw/zinc/72/62/65/551726265.db2.gz ZJWIAJKTQVBZEY-MUUNZHRXSA-N 0 0 550.618 5.467 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc2sc3c(c2c1=O)CCCC3 ZINC000001896069 551727989 /nfs/dbraw/zinc/72/79/89/551727989.db2.gz XRHZDSVCTFJJGP-CQSZACIVSA-N 0 0 510.710 5.312 50 30 KKEARN COc1ccccc1CN1C(=O)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000001897958 551729221 /nfs/dbraw/zinc/72/92/21/551729221.db2.gz RSYWCJMNRAIKLE-VWLOTQADSA-N 0 0 554.487 5.431 50 30 KKEARN COc1cc(CN2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1 ZINC000001899099 551729805 /nfs/dbraw/zinc/72/98/05/551729805.db2.gz NTGAKYOZMXHCPD-AREMUKBSSA-N 0 0 584.513 5.439 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccccc1Br ZINC000001906352 551731878 /nfs/dbraw/zinc/73/18/78/551731878.db2.gz GOQSKQJYLDGDLB-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccccc1Br ZINC000001906361 551731883 /nfs/dbraw/zinc/73/18/83/551731883.db2.gz ABLXHFRXUXADIU-UHFFFAOYSA-N 0 0 594.482 6.691 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccc(Br)cc1 ZINC000001906379 551731885 /nfs/dbraw/zinc/73/18/85/551731885.db2.gz HXSVHRJMMODJDQ-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000001906592 551732323 /nfs/dbraw/zinc/73/23/23/551732323.db2.gz JQGGXCOIHMFCOJ-UHFFFAOYSA-N 0 0 540.512 5.596 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000001906670 551732461 /nfs/dbraw/zinc/73/24/61/551732461.db2.gz NECDPUBAPASIKP-UHFFFAOYSA-N 0 0 580.950 6.781 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O ZINC000001922555 551734512 /nfs/dbraw/zinc/73/45/12/551734512.db2.gz VDYYNOBDHCZMQD-UVHMKAGCSA-N 0 0 559.258 6.941 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1O ZINC000001921053 551734531 /nfs/dbraw/zinc/73/45/31/551734531.db2.gz RFPJBDREAUWUAY-XODNFHPESA-N 0 0 558.270 7.782 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1)c1cccc(Br)c1 ZINC000001951620 551735411 /nfs/dbraw/zinc/73/54/11/551735411.db2.gz YAJQBEMIYGCLTI-OKCVXOCRSA-N 0 0 531.793 7.881 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1O ZINC000001952051 551735414 /nfs/dbraw/zinc/73/54/14/551735414.db2.gz WUQBOEQVYKDRGT-KBKYJPHKSA-N 0 0 550.634 7.528 50 30 KKEARN COc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3Br)c2)c1O ZINC000001958636 551736090 /nfs/dbraw/zinc/73/60/90/551736090.db2.gz LWECOTZJGHRUPU-WYMPLXKRSA-N 0 0 504.178 5.929 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002030057 551736848 /nfs/dbraw/zinc/73/68/48/551736848.db2.gz NOLBOUUVEQETBV-RBBQXQBVSA-N 0 0 508.061 8.739 50 30 KKEARN C=CCn1c(-c2ccc(F)cc2)csc1=Nc1ccc(N=c2scc(-c3ccc(F)cc3)n2CC=C)cc1 ZINC000002050931 551738602 /nfs/dbraw/zinc/73/86/02/551738602.db2.gz QZCKDRZMFAZFJT-UHFFFAOYSA-N 0 0 542.680 7.862 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002055291 551739669 /nfs/dbraw/zinc/73/96/69/551739669.db2.gz FTGKDDATEWFQEL-NRFANRHFSA-N 0 0 506.437 5.501 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)[C@H](C(C)C)S2)cc1Cl ZINC000002060075 551741988 /nfs/dbraw/zinc/74/19/88/551741988.db2.gz YMWNIHGZLVVQFU-BTSCWMHGSA-N 0 0 516.044 5.147 50 30 KKEARN O=C1c2cc([N+](=O)[O-])c(Cl)c3c2c(cc([N+](=O)[O-])c3Cl)/C1=C1\Sc2ccc3ccccc3c2C1=O ZINC000002060572 551742124 /nfs/dbraw/zinc/74/21/24/551742124.db2.gz JWUHLYIWHAYMSJ-HKOYGPOVSA-N 0 0 523.309 7.012 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1C#N ZINC000002060933 551742623 /nfs/dbraw/zinc/74/26/23/551742623.db2.gz FIVQNIQAICVWNV-UHFFFAOYSA-N 0 0 571.680 6.602 50 30 KKEARN COc1ccc(C(=O)/C=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2C)cc1OC ZINC000002062379 551743401 /nfs/dbraw/zinc/74/34/01/551743401.db2.gz FPAASFJJJJZWAD-UXDAJDTFSA-N 0 0 548.635 7.404 50 30 biogenic KKEARN COc1ccc(C(=O)/C=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1OC ZINC000002062377 551743412 /nfs/dbraw/zinc/74/34/12/551743412.db2.gz FPAASFJJJJZWAD-HXSVJQCRSA-N 0 0 548.635 7.404 50 30 biogenic KKEARN CCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062438 551743443 /nfs/dbraw/zinc/74/34/43/551743443.db2.gz WBDGDAHVJCETSK-RAWLKHAVSA-N 0 0 507.630 6.601 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000002062487 551743528 /nfs/dbraw/zinc/74/35/28/551743528.db2.gz DJBHMTZGUNSIFD-UHFFFAOYSA-N 0 0 535.080 7.718 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002063194 551744146 /nfs/dbraw/zinc/74/41/46/551744146.db2.gz QYDFNLXLLUEMLC-HVIPQOSHSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063222 551744160 /nfs/dbraw/zinc/74/41/60/551744160.db2.gz JIJGVAKBMFLSFY-RNWIMVQKSA-N 0 0 514.021 6.324 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063173 551744167 /nfs/dbraw/zinc/74/41/67/551744167.db2.gz XBGKLUMHCOBGHG-DICHSLLOSA-N 0 0 521.657 6.826 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c1-c1cccnc1 ZINC000002064196 551744901 /nfs/dbraw/zinc/74/49/01/551744901.db2.gz QTCCGPNAVXDSJK-UHFFFAOYSA-N 0 0 510.575 5.271 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1I ZINC000002066358 551745210 /nfs/dbraw/zinc/74/52/10/551745210.db2.gz CBDJHQKQLGYQOO-OAQYLSRUSA-N 0 0 507.412 5.629 50 30 KKEARN Cc1cc(C)c(/C(Cl)=N/OC(=O)N2C(c3c(C)cc(C)cc3C)=NO[C@@H]2C(Cl)(Cl)Cl)c(C)c1 ZINC000002066942 551745545 /nfs/dbraw/zinc/74/55/45/551745545.db2.gz UQLALFBIJNQQNZ-XAUWAZNKSA-N 0 0 531.267 6.964 50 30 KKEARN CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000002068903 551746515 /nfs/dbraw/zinc/74/65/15/551746515.db2.gz BVHQQQDRINSZPN-PGUFJCEWSA-N 0 0 599.602 9.881 50 30 KKEARN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OC(=O)c5ccccc5I)cc4)cc3)sc2c1 ZINC000002069183 551746639 /nfs/dbraw/zinc/74/66/39/551746639.db2.gz PSHBMQKIUSANMZ-OCSSWDANSA-N 0 0 574.443 7.846 50 30 KKEARN COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(OC)c4O)ccc3o2)cc1Br ZINC000002071554 551747345 /nfs/dbraw/zinc/74/73/45/551747345.db2.gz JCUQINYPKHBVEM-OPEKNORGSA-N 0 0 532.188 6.493 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O ZINC000002071856 551747548 /nfs/dbraw/zinc/74/75/48/551747548.db2.gz WEBXXJQKIYWZRI-KBKYJPHKSA-N 0 0 595.085 7.637 50 30 KKEARN Cc1cccc(/N=C2\S/C(=C3\C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cccc(C)c2C)c1C ZINC000002073726 551748241 /nfs/dbraw/zinc/74/82/41/551748241.db2.gz LNAJOXQGTFTXGM-BRKSMKGBSA-N 0 0 502.039 7.013 50 30 KKEARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1\S/C(=N\c2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000002073860 551748303 /nfs/dbraw/zinc/74/83/03/551748303.db2.gz PKNLSGDDAMSZEC-FUFDAOLWSA-N 0 0 546.490 7.122 50 30 KKEARN COc1ccc(NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccc(C)cc2)cc1 ZINC000002074334 551749193 /nfs/dbraw/zinc/74/91/93/551749193.db2.gz NZVLCEKUXOGQMF-UHFFFAOYSA-N 0 0 544.706 5.739 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002074410 551749275 /nfs/dbraw/zinc/74/92/75/551749275.db2.gz MMHWKGCDBGYZTM-SKCUWOTOSA-N 0 0 533.621 5.195 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002075905 551749911 /nfs/dbraw/zinc/74/99/11/551749911.db2.gz YNHBSSIECRJSIX-LLXISZFLSA-N 0 0 586.717 5.537 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081890 551752012 /nfs/dbraw/zinc/75/20/12/551752012.db2.gz BHJMXGAOGOPQQI-UCXPDUAKSA-N 0 0 502.636 6.646 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C2\C(=O)Nc3c2cc(Br)cc3C)C(=O)N1c1ccccc1CC ZINC000002081962 551752020 /nfs/dbraw/zinc/75/20/20/551752020.db2.gz WTQDRFMTHUPJMN-BRKSMKGBSA-N 0 0 546.490 7.013 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)(F)F)sc2C1 ZINC000002082381 551752469 /nfs/dbraw/zinc/75/24/69/551752469.db2.gz RVKJMPOMBPAHIT-INIZCTEOSA-N 0 0 523.584 6.752 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3CC)N(c3ccccc3CC)C2=O)cc(Cl)c1O ZINC000002084171 551753898 /nfs/dbraw/zinc/75/38/98/551753898.db2.gz ZJQGZMBLVIETRC-SDOFRJHVSA-N 0 0 507.055 7.378 50 30 KKEARN C=CCOc1ccc(Br)c([C@H]2Nc3ccc(I)cc3C(=O)N2c2ccc(C)cc2)c1 ZINC000002086069 551756040 /nfs/dbraw/zinc/75/60/40/551756040.db2.gz BFYQAEVUOULFHJ-QHCPKHFHSA-N 0 0 575.244 6.698 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)nc2sc(C)c(C)c2c1=O ZINC000002087887 551757263 /nfs/dbraw/zinc/75/72/63/551757263.db2.gz LPNVXKTVNLTAOT-UHFFFAOYSA-N 0 0 539.704 5.897 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc1OC ZINC000002090142 551758547 /nfs/dbraw/zinc/75/85/47/551758547.db2.gz INJHCCJMOUITHA-FYJGNVAPSA-N 0 0 541.423 5.444 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000002092070 551759167 /nfs/dbraw/zinc/75/91/67/551759167.db2.gz KKZAKDTYQJJVEZ-CVYDZTKKSA-N 0 0 577.721 7.512 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002095268 551761221 /nfs/dbraw/zinc/76/12/21/551761221.db2.gz VLTCPGZEUVEOLZ-XMMPIXPASA-N 0 0 532.475 5.946 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000002105912 551763534 /nfs/dbraw/zinc/76/35/34/551763534.db2.gz GLRGSIKCQPPOFR-SANMLTNESA-N 0 0 528.020 6.234 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(F)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002108311 551765742 /nfs/dbraw/zinc/76/57/42/551765742.db2.gz ATRVOUDPXFVGKR-UHFFFAOYSA-N 0 0 535.644 8.381 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000002108683 551766258 /nfs/dbraw/zinc/76/62/58/551766258.db2.gz NAAMGPQBKPTQHD-QHCPKHFHSA-N 0 0 529.992 5.557 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccccc2Br)c(C)s1 ZINC000002111369 551767545 /nfs/dbraw/zinc/76/75/45/551767545.db2.gz IRKIOULGQWEYAL-RUZDIDTESA-N 0 0 544.511 6.565 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Br)cc3)o1)N(C(C)=O)c1ccccc1-2 ZINC000002113649 551768658 /nfs/dbraw/zinc/76/86/58/551768658.db2.gz YXZDHKTZUXCONL-DEOSSOPVSA-N 0 0 535.423 6.283 50 30 KKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000002123970 551771494 /nfs/dbraw/zinc/77/14/94/551771494.db2.gz CKGNEFMPCHDBSO-UHFFFAOYSA-N 0 0 561.122 7.063 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O ZINC000002128223 551772239 /nfs/dbraw/zinc/77/22/39/551772239.db2.gz XVQJGGDOASCJNN-UHFFFAOYSA-N 0 0 546.472 6.194 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000002138479 551774241 /nfs/dbraw/zinc/77/42/41/551774241.db2.gz BDMOSMOCEZFOOP-UHFFFAOYSA-N 0 0 509.017 7.458 50 30 KKEARN Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)OCC#N)c3)o2)C(=O)N(c2ccccc2C)C1=S ZINC000002138372 551774250 /nfs/dbraw/zinc/77/42/50/551774250.db2.gz PBOJOZGMVQVSDD-UHFFFAOYSA-N 0 0 596.064 6.646 50 30 KKEARN C=CCOc1ccc2c(c1)c(-c1ccc(OCC)c(OCC)c1)c1n2CCc2cc(OCC)c(OCC)cc2-1 ZINC000002146060 551776159 /nfs/dbraw/zinc/77/61/59/551776159.db2.gz BJOASNAYWDCFPD-UHFFFAOYSA-N 0 0 527.661 7.691 50 30 biogenic KKEARN C=CCOc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000002147011 551776365 /nfs/dbraw/zinc/77/63/65/551776365.db2.gz VCNJVIWFSMCZPE-UHFFFAOYSA-N 0 0 528.658 6.064 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000002151067 551778155 /nfs/dbraw/zinc/77/81/55/551778155.db2.gz GZNCSHHTJXVCPU-RUZDIDTESA-N 0 0 528.008 6.548 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1c1ccc(Br)cc1 ZINC000002151294 551778400 /nfs/dbraw/zinc/77/84/00/551778400.db2.gz GVCCYIDCBINSHC-DEOSSOPVSA-N 0 0 533.853 6.767 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151495 551778542 /nfs/dbraw/zinc/77/85/42/551778542.db2.gz KORRUYUDTZXNOA-MHZLTWQESA-N 0 0 529.036 6.330 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c1 ZINC000002151505 551778572 /nfs/dbraw/zinc/77/85/72/551778572.db2.gz LAHYUZADBDXBFZ-HHHXNRCGSA-N 0 0 529.036 6.330 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c1 ZINC000002151486 551778579 /nfs/dbraw/zinc/77/85/79/551778579.db2.gz HXQPDGYDFHUYFE-HHHXNRCGSA-N 0 0 529.036 6.330 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000002152083 551778983 /nfs/dbraw/zinc/77/89/83/551778983.db2.gz AVMOUQIQZLKXOX-AREMUKBSSA-N 0 0 571.471 6.478 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccccc3C(F)(F)F)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152010 551778999 /nfs/dbraw/zinc/77/89/99/551778999.db2.gz KUPDCIMIJSVIAB-HHHXNRCGSA-N 0 0 590.598 6.743 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccc(C)cc3)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c1 ZINC000002152038 551779034 /nfs/dbraw/zinc/77/90/34/551779034.db2.gz NTNXAUWXIXXDPU-LJAQVGFWSA-N 0 0 566.654 6.041 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3cccc(Br)c3)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002152094 551779188 /nfs/dbraw/zinc/77/91/88/551779188.db2.gz GCFGKKOKZKXNDO-MHZLTWQESA-N 0 0 585.498 6.786 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000002164605 551781760 /nfs/dbraw/zinc/78/17/60/551781760.db2.gz JPMICXPYXZRNRE-WQRHYEAKSA-N 0 0 541.794 6.149 50 30 KKEARN C#CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1Br ZINC000002170880 551782257 /nfs/dbraw/zinc/78/22/57/551782257.db2.gz IQFQHLSPJFKNKN-QFIPXVFZSA-N 0 0 501.302 6.251 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000002185565 551786561 /nfs/dbraw/zinc/78/65/61/551786561.db2.gz RTAJDTNBBMIRIQ-YUDQIZAISA-N 0 0 588.498 6.442 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000002185567 551786589 /nfs/dbraw/zinc/78/65/89/551786589.db2.gz IQBDCZVYOUGHRP-LGGPFLRQSA-N 0 0 519.638 5.807 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002185575 551786625 /nfs/dbraw/zinc/78/66/25/551786625.db2.gz BGODFGGVJXHANU-OOWIMERYSA-N 0 0 507.630 6.579 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002185692 551786907 /nfs/dbraw/zinc/78/69/07/551786907.db2.gz ACRPOQAVPVWNMQ-CRICUBBOSA-N 0 0 524.411 5.493 50 30 KKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185694 551786950 /nfs/dbraw/zinc/78/69/50/551786950.db2.gz GIWFVTDPNNDTFJ-QUGAMOGWSA-N 0 0 507.970 5.168 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000002188120 551788442 /nfs/dbraw/zinc/78/84/42/551788442.db2.gz QFRCKFQRUFBEEO-MGBGTMOVSA-N 0 0 572.532 9.434 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191754 551790131 /nfs/dbraw/zinc/79/01/31/551790131.db2.gz YCQSUDSCCJQALK-MYYSRTQBSA-N 0 0 542.023 6.088 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191809 551790300 /nfs/dbraw/zinc/79/03/00/551790300.db2.gz GZYLNUQQYSCKBY-SHACYNPGSA-N 0 0 525.568 5.573 50 30 KKEARN COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191855 551790316 /nfs/dbraw/zinc/79/03/16/551790316.db2.gz ZTSPAGWGZUEXNR-FATZIPQQSA-N 0 0 527.996 5.698 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccccc1OC)(Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191789 551790353 /nfs/dbraw/zinc/79/03/53/551790353.db2.gz OYCIWYKVZVMBSR-LFPIHBKWSA-N 0 0 523.577 5.053 50 30 KKEARN C[C@@H]1Oc2ccccc2C=C1C=C1Oc2cc(OCC(=O)c3ccc(Br)cc3)ccc2C1=O ZINC000002196974 551792139 /nfs/dbraw/zinc/79/21/39/551792139.db2.gz CXKJPYWCHNVNCU-REWBEUJESA-N 0 0 503.348 6.034 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000002221937 551796182 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COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O ZINC000002405211 552112231 /nfs/dbraw/zinc/11/22/31/552112231.db2.gz YCXJLUZJLANKKS-KSEXSDGBSA-N 0 0 511.324 5.310 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccc(Cl)cc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002412036 552113895 /nfs/dbraw/zinc/11/38/95/552113895.db2.gz TZARVAXPYYRSFQ-NRFANRHFSA-N 0 0 521.404 6.274 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccc6ccccc6c5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002415948 552114931 /nfs/dbraw/zinc/11/49/31/552114931.db2.gz JGFKOPORNSXBCF-VWLOTQADSA-N 0 0 548.599 5.835 50 30 KKEARN C=CCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002420720 552115597 /nfs/dbraw/zinc/11/55/97/552115597.db2.gz IZORWQNOHVDCQZ-FQEVSTJZSA-N 0 0 509.381 5.635 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5cc6ccccc6cc5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002424972 552116454 /nfs/dbraw/zinc/11/64/54/552116454.db2.gz ZHLDLMGMGWESQH-VWLOTQADSA-N 0 0 518.573 5.826 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000002424857 552116458 /nfs/dbraw/zinc/11/64/58/552116458.db2.gz UHFAJJZOOQSFOE-NKFKGCMQSA-N 0 0 518.708 5.429 50 30 KKEARN COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)N(C3CCCCCC3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002427290 552116915 /nfs/dbraw/zinc/11/69/15/552116915.db2.gz UKLJVLRZLWQZBR-MHZLTWQESA-N 0 0 520.592 5.253 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CSc4nc5ccccc5s4)nc3c1[C@H]2c1ccccc1 ZINC000002428104 552117215 /nfs/dbraw/zinc/11/72/15/552117215.db2.gz OTGCDTCNBJHEJI-QFIPXVFZSA-N 0 0 525.659 6.194 50 30 KKEARN COC(=O)C1=NN(c2ccc(Br)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1 ZINC000002427840 552117240 /nfs/dbraw/zinc/11/72/40/552117240.db2.gz YVRQKESAWTZVFX-NRFANRHFSA-N 0 0 504.431 5.174 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5cccc(C)c5C)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002441531 552119691 /nfs/dbraw/zinc/11/96/91/552119691.db2.gz NYDVFLIBTOJBKO-VWLOTQADSA-N 0 0 510.594 5.496 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1cccc(C)c1 ZINC000002447038 552121798 /nfs/dbraw/zinc/12/17/98/552121798.db2.gz ODPJGGOYSQBETB-UHFFFAOYSA-N 0 0 511.676 6.755 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3n2)cc1 ZINC000002508859 552126259 /nfs/dbraw/zinc/12/62/59/552126259.db2.gz RJXPKRNHHSGGLM-UHFFFAOYSA-N 0 0 537.485 7.400 50 30 KKEARN Cc1cccc(NC(=S)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 ZINC000002542603 552128337 /nfs/dbraw/zinc/12/83/37/552128337.db2.gz XNYOWYUQKUPGDU-DHRITJCHSA-N 0 0 502.821 5.951 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002542602 552128369 /nfs/dbraw/zinc/12/83/69/552128369.db2.gz BIPDJFHDGHGSHI-RPPGKUMJSA-N 0 0 508.814 6.195 50 30 KKEARN O=C(Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000002543915 552128616 /nfs/dbraw/zinc/12/86/16/552128616.db2.gz UUAPXIOHQNJEFQ-BRJLIKDPSA-N 0 0 506.784 5.781 50 30 KKEARN O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 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CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925722 552223528 /nfs/dbraw/zinc/22/35/28/552223528.db2.gz MICVDDFWFDVODX-XGCWNURASA-N 0 0 584.894 6.679 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002925804 552223946 /nfs/dbraw/zinc/22/39/46/552223946.db2.gz UIOLVNZBZQWHQL-QYBDOPJKSA-N 0 0 530.448 5.943 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000002926378 552224113 /nfs/dbraw/zinc/22/41/13/552224113.db2.gz ZKGCOJPBHUVJQK-WGDIFIGCSA-N 0 0 588.882 5.773 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002926255 552224202 /nfs/dbraw/zinc/22/42/02/552224202.db2.gz SBYVQXNUDSSCTL-KBMIEXCESA-N 0 0 527.042 5.906 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002926185 552224224 /nfs/dbraw/zinc/22/42/24/552224224.db2.gz XTUMXOQPPWQDGX-HOYKHHGWSA-N 0 0 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564.292 6.002 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1C ZINC000003042988 552273646 /nfs/dbraw/zinc/27/36/46/552273646.db2.gz GCDYHAJGFCLWJQ-SLMZUGIISA-N 0 0 527.875 5.957 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 ZINC000003044008 552274882 /nfs/dbraw/zinc/27/48/82/552274882.db2.gz AMEPYIWNUBFTDQ-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1C ZINC000003044310 552275406 /nfs/dbraw/zinc/27/54/06/552275406.db2.gz KMAUXHNUYJSHGT-SLMZUGIISA-N 0 0 511.420 5.443 50 30 KKEARN N#Cc1c(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000003066908 552285060 /nfs/dbraw/zinc/28/50/60/552285060.db2.gz RPUQUYISZWORHI-QGZVFWFLSA-N 0 0 507.668 5.799 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3cccc(OC)c3)c(OC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000003082611 552285546 /nfs/dbraw/zinc/28/55/46/552285546.db2.gz DMDSPSJHGJLTEV-ZCTHSVRISA-N 0 0 511.530 5.901 50 30 KKEARN Cc1cc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c(O)c(Br)c1C ZINC000003087342 552286415 /nfs/dbraw/zinc/28/64/15/552286415.db2.gz FPNVLOYJDDURLN-OPEKNORGSA-N 0 0 500.190 7.093 50 30 KKEARN Cc1ccc(-c2cc(/N=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)n(-c3ccccc3)n2)cc1 ZINC000003094752 552287154 /nfs/dbraw/zinc/28/71/54/552287154.db2.gz DGIGBXAONMNHQR-NJZRLIGZSA-N 0 0 507.615 6.674 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000003097191 552287469 /nfs/dbraw/zinc/28/74/69/552287469.db2.gz SQOYWCDVSRGPNN-XAZZYMPDSA-N 0 0 562.503 8.984 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000003098541 552287953 /nfs/dbraw/zinc/28/79/53/552287953.db2.gz POXKYUMEUNDDIR-FIPFOOKPSA-N 0 0 528.446 6.554 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000003113593 552289879 /nfs/dbraw/zinc/28/98/79/552289879.db2.gz XZFRRGFTDSMCBY-KBKYJPHKSA-N 0 0 530.216 7.101 50 30 KKEARN COc1cccc(-c2nc3cc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)ccc3o2)c1 ZINC000003116514 552290386 /nfs/dbraw/zinc/29/03/86/552290386.db2.gz BOLQLWDWNGITQT-LQKURTRISA-N 0 0 510.462 6.863 50 30 KKEARN FC(F)(F)c1cnc(/C=N/NC(=S)Nc2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c1 ZINC000003127455 552291989 /nfs/dbraw/zinc/29/19/89/552291989.db2.gz BRKJUJXDNUDPEA-LUOAPIJWSA-N 0 0 501.386 6.879 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000003144435 552296896 /nfs/dbraw/zinc/29/68/96/552296896.db2.gz VDYXNGWHDBGZLU-JTOYJDTJSA-N 0 0 508.577 8.698 50 30 KKEARN COc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(OC)c4O)c(OC)c3)cc2OC)c1O ZINC000003144480 552296955 /nfs/dbraw/zinc/29/69/55/552296955.db2.gz GDTSWQQHGVSGDS-LTTYKRRRSA-N 0 0 512.562 6.300 50 30 KKEARN CCOc1ccc(C(=O)/C=C/C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2C)cc1 ZINC000003183379 552300811 /nfs/dbraw/zinc/30/08/11/552300811.db2.gz VNNVYMAOCXBJEC-KKDNCDEASA-N 0 0 532.636 7.786 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=S)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000003184186 552301103 /nfs/dbraw/zinc/30/11/03/552301103.db2.gz DZUSGXAMYMHIEV-SFQUDFHCSA-N 0 0 508.528 7.620 50 30 KKEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4Cl)cc3)cc2)c1 ZINC000003194926 552303129 /nfs/dbraw/zinc/30/31/29/552303129.db2.gz MTZBTVUTDYUDQH-CMNXJCJSSA-N 0 0 519.344 7.978 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000003195303 552303142 /nfs/dbraw/zinc/30/31/42/552303142.db2.gz ZKBAEYPAZBKZTH-CMNXJCJSSA-N 0 0 519.344 7.978 50 30 KKEARN COC(=O)c1c2c(sc1NOC(=O)c1c(N)n(Cc3ccccc3)c3nc4ccccc4nc31)CCCC2 ZINC000003201704 552304073 /nfs/dbraw/zinc/30/40/73/552304073.db2.gz CAKYNYOXQYOGKK-UHFFFAOYSA-N 0 0 527.606 5.126 50 30 KKEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 ZINC000003221826 552310770 /nfs/dbraw/zinc/31/07/70/552310770.db2.gz XRYWFTJMAOCFHA-UHFFFAOYSA-N 0 0 532.815 6.636 50 30 KKEARN CCOc1ccc(S(=O)(=O)N/C(=N\c2ccc(-c3nc4ccc(C)cc4s3)cc2)c2ccccc2)cc1 ZINC000003232009 552315722 /nfs/dbraw/zinc/31/57/22/552315722.db2.gz CDDKBAXPXILORZ-UHFFFAOYSA-N 0 0 527.671 6.727 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000003251191 552322232 /nfs/dbraw/zinc/32/22/32/552322232.db2.gz HXSVTWCUOFBPIJ-UHFFFAOYSA-N 0 0 543.972 5.841 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCSc1nc3sc4c(c3c(=O)n1CC=C)CCCC4)sc1c2CCCC1 ZINC000003251480 552322452 /nfs/dbraw/zinc/32/24/52/552322452.db2.gz VTWKNVKADNVSFM-UHFFFAOYSA-N 0 0 568.815 6.201 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C#N)c1nc3ccccc3nc1Cl)C[C@H](c1ccccc1)CC2 ZINC000003259760 552325801 /nfs/dbraw/zinc/32/58/01/552325801.db2.gz CGKADVNCVSBUIU-MJGOQNOKSA-N 0 0 531.037 6.040 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000003261413 552326575 /nfs/dbraw/zinc/32/65/75/552326575.db2.gz SHLFCBQOUDKHMX-UHFFFAOYSA-N 0 0 553.851 5.824 50 30 KKEARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 ZINC000003265512 552328257 /nfs/dbraw/zinc/32/82/57/552328257.db2.gz DVUAHEUFKWHTSL-UHFFFAOYSA-N 0 0 501.073 5.750 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000003266103 552328616 /nfs/dbraw/zinc/32/86/16/552328616.db2.gz ZZVIZXQJBJQXPJ-MRXNPFEDSA-N 0 0 597.904 6.221 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n(-c3ccccc3)c(=O)c2c1C ZINC000003267263 552329937 /nfs/dbraw/zinc/32/99/37/552329937.db2.gz HMZHAOOHJZVQIR-UHFFFAOYSA-N 0 0 506.678 5.607 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n(-c3ccccc3)c(=O)c2c1C ZINC000003267353 552330051 /nfs/dbraw/zinc/33/00/51/552330051.db2.gz LNXORPWORHWEMO-AWEZNQCLSA-N 0 0 520.705 5.853 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000003267465 552330352 /nfs/dbraw/zinc/33/03/52/552330352.db2.gz YFCQZLRJBRYOHK-UHFFFAOYSA-N 0 0 582.776 7.356 50 30 KKEARN CCOc1ccc(NC(=O)COC(=O)c2cccc(N3CC(=O)C(c4nc(-c5ccc(Cl)cc5)cs4)=C3N)c2)cc1 ZINC000003270876 552331810 /nfs/dbraw/zinc/33/18/10/552331810.db2.gz SATRNLDDQOKCRD-UHFFFAOYSA-N 0 0 589.073 5.374 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003277184 552334324 /nfs/dbraw/zinc/33/43/24/552334324.db2.gz PEERUWSRWBXXKT-WGOQTCKBSA-N 0 0 552.549 5.760 50 30 KKEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000003287640 552338458 /nfs/dbraw/zinc/33/84/58/552338458.db2.gz NRJVSBUEWIMAOJ-UHFFFAOYSA-N 0 0 502.463 5.877 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003288139 552338624 /nfs/dbraw/zinc/33/86/24/552338624.db2.gz RLAQHNWEVNHTGJ-CHWSQXEVSA-N 0 0 508.496 6.195 50 30 KKEARN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000003288397 552338936 /nfs/dbraw/zinc/33/89/36/552338936.db2.gz YJMCMTLVRKXAQC-UHFFFAOYSA-N 0 0 544.574 6.584 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003306294 552349128 /nfs/dbraw/zinc/34/91/28/552349128.db2.gz QLMNBVUSGCVUMF-VWLOTQADSA-N 0 0 549.014 6.548 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccccc3)o2)ccc1Cl ZINC000003312004 552352462 /nfs/dbraw/zinc/35/24/62/552352462.db2.gz AZCSRYNPYMUBQP-UHFFFAOYSA-N 0 0 509.971 5.128 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003318942 552354760 /nfs/dbraw/zinc/35/47/60/552354760.db2.gz JXZPMYZDUDYHDJ-MUUNZHRXSA-N 0 0 551.737 7.708 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2cc(C)ccc2C)c1 ZINC000003330373 552359013 /nfs/dbraw/zinc/35/90/13/552359013.db2.gz KRRVIKDSDOZXGV-UHFFFAOYSA-N 0 0 528.026 5.386 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000003347468 552365512 /nfs/dbraw/zinc/36/55/12/552365512.db2.gz ZLGQZROVODWEGK-GOSISDBHSA-N 0 0 547.460 5.409 50 30 KKEARN 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O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000003395659 552379831 /nfs/dbraw/zinc/37/98/31/552379831.db2.gz YCWJYRZFXNWEBV-UHFFFAOYSA-N 0 0 547.702 6.369 50 30 KKEARN Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000003438652 552386861 /nfs/dbraw/zinc/38/68/61/552386861.db2.gz DXIURDAVNJLJTR-UHFFFAOYSA-N 0 0 543.523 6.177 50 30 KKEARN N#CCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)c1ccc(F)cc1 ZINC000003454151 552389388 /nfs/dbraw/zinc/38/93/88/552389388.db2.gz BBOVPXWSRHUZPV-UHFFFAOYSA-N 0 0 504.612 5.114 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000003587919 552392154 /nfs/dbraw/zinc/39/21/54/552392154.db2.gz KCFLZRCGDAJSIO-VEWQFJOQSA-N 0 0 511.695 5.253 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000003616496 552392672 /nfs/dbraw/zinc/39/26/72/552392672.db2.gz BMGOAMFKDMLEKO-WAIKUNEKSA-N 0 0 522.519 6.713 50 30 KKEARN CCCCCCCC(=O)Oc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000003622427 552395041 /nfs/dbraw/zinc/39/50/41/552395041.db2.gz MACGOPXWFGMRRX-YTTGMZPUSA-N 0 0 526.677 7.819 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccccc1Cl)(C(F)(F)F)C(=O)N2c1cccc(Cl)c1 ZINC000003627894 552396204 /nfs/dbraw/zinc/39/62/04/552396204.db2.gz ZOJTXWUUCRQQNO-QHCPKHFHSA-N 0 0 511.327 5.714 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1coc2ccccc2c1=O ZINC000003639466 552399253 /nfs/dbraw/zinc/39/92/53/552399253.db2.gz BDGMDICTFAUOEB-AFJIDDCJSA-N 0 0 543.616 5.131 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(Br)ccc1F ZINC000003639964 552399658 /nfs/dbraw/zinc/39/96/58/552399658.db2.gz CTDMWNOQPYRITM-RCDICMHDSA-N 0 0 520.420 5.201 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000003643645 552401127 /nfs/dbraw/zinc/40/11/27/552401127.db2.gz SHROAPUULDTGIQ-HSZRJFAPSA-N 0 0 546.601 5.448 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC ZINC000003656035 552404259 /nfs/dbraw/zinc/40/42/59/552404259.db2.gz HFUFZTNHIAKCSF-MHZLTWQESA-N 0 0 511.530 5.231 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC ZINC000003656190 552405047 /nfs/dbraw/zinc/40/50/47/552405047.db2.gz LAPJQTLCJFGMRK-HHHXNRCGSA-N 0 0 529.520 5.370 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4)cc3s2)cc1OC ZINC000003663651 552408060 /nfs/dbraw/zinc/40/80/60/552408060.db2.gz MFBMNIOKTMIWEP-WKULSOCRSA-N 0 0 526.083 6.169 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1)NC1CCCCC1 ZINC000003664013 552408375 /nfs/dbraw/zinc/40/83/75/552408375.db2.gz HLSMGMRAIBDHGW-WYMPLXKRSA-N 0 0 551.475 5.898 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003764216 552413786 /nfs/dbraw/zinc/41/37/86/552413786.db2.gz SESWOFSDIVYTIR-UHFFFAOYSA-N 0 0 543.718 6.363 50 30 KKEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000003772309 552417813 /nfs/dbraw/zinc/41/78/13/552417813.db2.gz KNTTUJRGCDYESO-JLHDDXNDSA-N 0 0 534.084 6.113 50 30 KKEARN Cc1c(Br)c(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)c(Br)c2C)OS(=O)(=O)c2ccccc21 ZINC000003860915 552420783 /nfs/dbraw/zinc/42/07/83/552420783.db2.gz NUHCTOLBWMJMLX-UHFFFAOYSA-N 0 0 624.391 7.497 50 30 in-vitro KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000003979823 552424475 /nfs/dbraw/zinc/42/44/75/552424475.db2.gz WJPPKXJNCVILBN-GDLZYMKVSA-N 0 0 536.584 5.462 50 30 KKEARN Clc1ccc(/C=N/c2cccc(Oc3cccc(Oc4cccc(/N=C/c5ccc(Cl)cc5Cl)c4)c3)c2)c(Cl)c1 ZINC000004017306 552428415 /nfs/dbraw/zinc/42/84/15/552428415.db2.gz HVFWQTCSALPNJK-RIOOQTRLSA-N 0 0 606.336 11.386 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N ZINC000004046375 552431094 /nfs/dbraw/zinc/43/10/94/552431094.db2.gz LYSACBHROVZOHU-GOSISDBHSA-N 0 0 521.708 6.892 50 30 KKEARN CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000004046384 552431184 /nfs/dbraw/zinc/43/11/84/552431184.db2.gz KMMSHHAHJWMUJH-UHFFFAOYSA-N 0 0 504.870 7.609 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)nc1 ZINC000004047967 552431418 /nfs/dbraw/zinc/43/14/18/552431418.db2.gz PXWVWXSRWCOMMB-AUEPDCJTSA-N 0 0 506.154 5.540 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1 ZINC000004065390 552432122 /nfs/dbraw/zinc/43/21/22/552432122.db2.gz JAVVMHAKYWXAQY-BZUZNSEFSA-N 0 0 506.741 7.148 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000004064843 552432181 /nfs/dbraw/zinc/43/21/81/552432181.db2.gz ULBHKGVKJGMYAV-HPMVVLTCSA-N 0 0 502.614 7.254 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004065674 552432422 /nfs/dbraw/zinc/43/24/22/552432422.db2.gz OZYKUQUTYANVDW-WBBHLRKXSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067425 552432620 /nfs/dbraw/zinc/43/26/20/552432620.db2.gz IZMCAKRLTWYODX-DEOSSOPVSA-N 0 0 540.454 5.901 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004067301 552432688 /nfs/dbraw/zinc/43/26/88/552432688.db2.gz RZLPPAQAYYZHPB-NDEPHWFRSA-N 0 0 503.639 6.092 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000004067537 552432941 /nfs/dbraw/zinc/43/29/41/552432941.db2.gz VVRPZBXUEUIJSX-CMVGPNDKSA-N 0 0 551.683 6.632 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067574 552433003 /nfs/dbraw/zinc/43/30/03/552433003.db2.gz SMBAHXCBDFRXKJ-QMHKHESXSA-N 0 0 512.400 5.088 50 30 biogenic,in-vitro KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004067925 552433207 /nfs/dbraw/zinc/43/32/07/552433207.db2.gz KMYVNIRAPYPYIF-BYKKXRHASA-N 0 0 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5.403 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccc(OC)cc3)cc2OCC)cc1 ZINC000004231407 552451257 /nfs/dbraw/zinc/45/12/57/552451257.db2.gz REFFXRCVUXQFRJ-MTDXEUNCSA-N 0 0 507.612 5.422 50 30 KKEARN COc1ccc(OCc2cc([C@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc2OC)cc1 ZINC000004410421 552459547 /nfs/dbraw/zinc/45/95/47/552459547.db2.gz SOPWAQBFSLQPIS-HKBQPEDESA-N 0 0 567.686 6.229 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000004512902 552462057 /nfs/dbraw/zinc/46/20/57/552462057.db2.gz AXIUYCKSGDMAJC-UHFFFAOYSA-N 0 0 525.472 7.973 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004531520 552463397 /nfs/dbraw/zinc/46/33/97/552463397.db2.gz WBRFQFHUEUBXFN-RSORRPJOSA-N 0 0 598.526 7.724 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000004531516 552463403 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50 30 KKEARN c1ccc(Nc2nc(N=NCc3ccc(CN=Nc4nc(Nc5ccccc5)nc(Nc5ccccc5)n4)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000004617439 552469261 /nfs/dbraw/zinc/46/92/61/552469261.db2.gz UJWYDRIXLPZUAO-YXTVXKGXSA-N 0 0 684.772 7.923 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000004635689 552469499 /nfs/dbraw/zinc/46/94/99/552469499.db2.gz SVUXVEYGUKAAEH-BCHFMIIMSA-N 0 0 504.964 6.619 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Br)cc1 ZINC000004635166 552469500 /nfs/dbraw/zinc/46/95/00/552469500.db2.gz NKFXRCAPQBJSLU-DEOSSOPVSA-N 0 0 580.276 6.514 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2C(F)(F)F)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004636331 552469842 /nfs/dbraw/zinc/46/98/42/552469842.db2.gz VSBOCUSBQMPYBY-UZTOHYMASA-N 0 0 520.526 6.845 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004636656 552469875 /nfs/dbraw/zinc/46/98/75/552469875.db2.gz PTJFSOIDZBPRGK-WTYVLRPYSA-N 0 0 516.613 6.687 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000004638897 552469972 /nfs/dbraw/zinc/46/99/72/552469972.db2.gz XKTRGVOYIWZGJH-PMERELPUSA-N 0 0 539.628 6.831 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000004649993 552471233 /nfs/dbraw/zinc/47/12/33/552471233.db2.gz UDDXZXAJNPDBES-HKBQPEDESA-N 0 0 549.671 6.563 50 30 KKEARN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)CC(c2ccccc2)C/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000004762451 552479405 /nfs/dbraw/zinc/47/94/05/552479405.db2.gz UNRCKXKGSVQEFI-WECXDZCISA-N 0 0 520.673 5.974 50 30 KKEARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=NNc2ccccc2)c2cc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)ccc2-3)cc1 ZINC000005345059 552497897 /nfs/dbraw/zinc/49/78/97/552497897.db2.gz MHCTUFSUBWZCTE-UHFFFAOYSA-N 0 0 694.795 6.050 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005355199 552498657 /nfs/dbraw/zinc/49/86/57/552498657.db2.gz 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/nfs/dbraw/zinc/51/44/65/552514465.db2.gz NYHNDRKNRNAYHZ-UHFFFAOYSA-N 0 0 514.529 5.230 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000006075269 552527151 /nfs/dbraw/zinc/52/71/51/552527151.db2.gz TVFRHLCQWWYLBR-HNNXBMFYSA-N 0 0 602.480 7.514 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000006078509 552529879 /nfs/dbraw/zinc/52/98/79/552529879.db2.gz NDHVJLZBAZPZEC-KPURRNSFSA-N 0 0 533.594 6.996 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006135390 552539483 /nfs/dbraw/zinc/53/94/83/552539483.db2.gz KUQHZHQHAFLPFX-UHFFFAOYSA-N 0 0 512.078 7.851 50 30 KKEARN Cc1c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S/C2=N\N=C\c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000006142534 552543936 /nfs/dbraw/zinc/54/39/36/552543936.db2.gz XQVRWKUBBLUVRP-AJKRNLBQSA-N 0 0 579.730 5.127 50 30 KKEARN Cc1cc(Sc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000006143001 552544571 /nfs/dbraw/zinc/54/45/71/552544571.db2.gz BCQOJHMHJUISLW-UHFFFAOYSA-N 0 0 591.722 5.851 50 30 KKEARN COc1cc(CN=Nc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000006144394 552546368 /nfs/dbraw/zinc/54/63/68/552546368.db2.gz KBJBDVVCAXNUSG-WKULSOCRSA-N 0 0 545.061 5.216 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006146801 552548682 /nfs/dbraw/zinc/54/86/82/552548682.db2.gz VCIJJTDFGZVMDK-UHFFFAOYSA-N 0 0 539.526 6.411 50 30 KKEARN CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000006147164 552548829 /nfs/dbraw/zinc/54/88/29/552548829.db2.gz YVPOVKOZEPNCPG-VFCFBJKWSA-N 0 0 502.680 6.207 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCCC3(c4ccc(F)cc4)OCCO3)n2)cc1 ZINC000006157042 552552679 /nfs/dbraw/zinc/55/26/79/552552679.db2.gz HDISIUQPCJWBFZ-UHFFFAOYSA-N 0 0 526.633 7.207 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000006157108 552552893 /nfs/dbraw/zinc/55/28/93/552552893.db2.gz KFSVJTLSWOHCFN-UHFFFAOYSA-N 0 0 516.022 6.689 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000006162509 552555132 /nfs/dbraw/zinc/55/51/32/552555132.db2.gz HLTQVEBCAIVRDO-ONOMSOESSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162103 552555236 /nfs/dbraw/zinc/55/52/36/552555236.db2.gz LUKYBYWFWGJMNK-KCWXNJEJSA-N 0 0 519.638 5.807 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C/C(=N\S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1 ZINC000006170506 552558603 /nfs/dbraw/zinc/55/86/03/552558603.db2.gz GLIWVZKCUXEUDY-WWQQVGJXSA-N 0 0 548.730 6.207 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2C#N)cc1 ZINC000006177514 552560489 /nfs/dbraw/zinc/56/04/89/552560489.db2.gz DWWFQVVRMZFENN-IBGZPJMESA-N 0 0 550.709 7.085 50 30 KKEARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(Cl)cc4Cl)n3)c2)C[C@H](C)O1 ZINC000006186210 552562910 /nfs/dbraw/zinc/56/29/10/552562910.db2.gz QMKFEVHPMXWHBC-ZPEOTAAKSA-N 0 0 525.483 5.361 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197157 552569313 /nfs/dbraw/zinc/56/93/13/552569313.db2.gz ZUBIOCIZIVCYOL-URAOTHONSA-N 0 0 531.649 5.950 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197164 552569322 /nfs/dbraw/zinc/56/93/22/552569322.db2.gz VTHXOXAHYDQKSD-PIIWDFAUSA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197132 552569365 /nfs/dbraw/zinc/56/93/65/552569365.db2.gz MYLKHQOBMRBPEZ-LGGPFLRQSA-N 0 0 519.638 5.663 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(CC)cc1 ZINC000006197660 552569572 /nfs/dbraw/zinc/56/95/72/552569572.db2.gz VHNLWPYJYFKFAC-RNWIMVQKSA-N 0 0 535.706 5.924 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CC[C@H](C)C4)C2=O)cc1 ZINC000006233598 552571872 /nfs/dbraw/zinc/57/18/72/552571872.db2.gz PVFQBWBMNJYGRQ-SVTVQYSDSA-N 0 0 511.603 5.561 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C)cc3)c2C#N)cc1OC ZINC000006245201 552573965 /nfs/dbraw/zinc/57/39/65/552573965.db2.gz HGQUAFODRSOXAH-HXUWFJFHSA-N 0 0 509.631 6.732 50 30 KKEARN Cc1ccc(NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccc(Cl)cc2)cc1 ZINC000006245378 552573982 /nfs/dbraw/zinc/57/39/82/552573982.db2.gz VDHZIHPDUNPXPN-UHFFFAOYSA-N 0 0 549.125 6.384 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCc3nnc(-c4ccccc4)o3)c2C#N)cc1OC ZINC000006246098 552574528 /nfs/dbraw/zinc/57/45/28/552574528.db2.gz IOJYLKXAYVIVMR-UHFFFAOYSA-N 0 0 520.614 6.955 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000006287531 552578352 /nfs/dbraw/zinc/57/83/52/552578352.db2.gz GMZWTFPUAKFHIR-QCBOHVIISA-N 0 0 561.657 7.115 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccccc3C)c2C#N)cc1OC ZINC000006444140 552586780 /nfs/dbraw/zinc/58/67/80/552586780.db2.gz MXYONBDVDDILHX-FQEVSTJZSA-N 0 0 509.631 6.732 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2C)cc1OC ZINC000006444592 552587104 /nfs/dbraw/zinc/58/71/04/552587104.db2.gz HRPGRRLIXRNFAN-ONOMSOESSA-N 0 0 501.623 5.860 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000006472027 552591835 /nfs/dbraw/zinc/59/18/35/552591835.db2.gz VMMDIMFXSMLPDX-MWXLYHPQSA-N 0 0 559.732 6.857 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c(Cl)c1 ZINC000006473848 552591948 /nfs/dbraw/zinc/59/19/48/552591948.db2.gz NIMLLUFLDLLNJQ-OCSSWDANSA-N 0 0 534.451 6.547 50 30 KKEARN CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000008221201 552984983 /nfs/dbraw/zinc/98/49/83/552984983.db2.gz VYIRVAXUEZSDNC-RDJLEWNRSA-N 0 0 584.885 9.806 50 30 biogenic,in-vitro KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000008384051 552988761 /nfs/dbraw/zinc/98/87/61/552988761.db2.gz LWZRKGBTJMHBDJ-XQPZMNQLSA-N 0 0 604.913 7.950 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000008384704 552989866 /nfs/dbraw/zinc/98/98/66/552989866.db2.gz DTWHJASTPVYWSM-WKULSOCRSA-N 0 0 526.445 7.489 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008384707 552989869 /nfs/dbraw/zinc/98/98/69/552989869.db2.gz QHPZTVNMXVEBLI-ZCTHSVRISA-N 0 0 513.663 7.480 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008384795 552990107 /nfs/dbraw/zinc/99/01/07/552990107.db2.gz JMJUELIXBYXLOR-YTTGMZPUSA-N 0 0 507.678 6.919 50 30 KKEARN N#C[C@@H](Cc1cc(Cl)cc(Cl)c1Sc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1Sc1ccc(Cl)cc1 ZINC000008385445 552990823 /nfs/dbraw/zinc/99/08/23/552990823.db2.gz FKMLUZGRTXUPCH-MRXNPFEDSA-N 0 0 630.276 11.759 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000008386608 552992593 /nfs/dbraw/zinc/99/25/93/552992593.db2.gz BWWYCKIHMOONCF-AJBULDERSA-N 0 0 655.541 5.521 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1cccc(I)c1 ZINC000008386610 552992599 /nfs/dbraw/zinc/99/25/99/552992599.db2.gz YPZDXINFQWICDK-VUTHCHCSSA-N 0 0 611.488 5.122 50 30 KKEARN CCCCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000008387057 552993343 /nfs/dbraw/zinc/99/33/43/552993343.db2.gz KRRXTIZHAVXNOW-UHFFFAOYSA-N 0 0 532.431 5.721 50 30 KKEARN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000008395906 552994169 /nfs/dbraw/zinc/99/41/69/552994169.db2.gz FEWOUBKYYWZUQI-ZMVORIFESA-N 0 0 568.720 5.222 50 30 KKEARN CCCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N(c2ccccc2)C1=S ZINC000008396141 552994811 /nfs/dbraw/zinc/99/48/11/552994811.db2.gz ZAFOOOXEALWISE-XQNSMLJCSA-N 0 0 528.703 5.860 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000008396243 552995078 /nfs/dbraw/zinc/99/50/78/552995078.db2.gz UUSBIKFYHVOOCL-HAHDFKILSA-N 0 0 582.447 6.029 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000008396846 552995896 /nfs/dbraw/zinc/99/58/96/552995896.db2.gz SXAMVZCRYXBWLZ-AREMUKBSSA-N 0 0 532.507 7.463 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCC)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000008397003 552995940 /nfs/dbraw/zinc/99/59/40/552995940.db2.gz XAFUJPIPRZQFHI-QHCPKHFHSA-N 0 0 502.080 6.270 50 30 KKEARN Cc1ccc(Nc2nc(N=NC(C)c3ccc(Br)cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000008397186 552996449 /nfs/dbraw/zinc/99/64/49/552996449.db2.gz FVOOAUKKZYUXCU-FDVSRXAVSA-N 0 0 561.282 5.121 50 30 KKEARN CCCCCCCCCCCCOc1ccc(C#Cc2ccc3c(ccc(O)c3-c3c(O)c(C(=O)OC)cc4ccccc43)c2)cc1 ZINC000008397637 552997353 /nfs/dbraw/zinc/99/73/53/552997353.db2.gz VCBWVMIVKVNXJB-UHFFFAOYSA-N 0 0 628.809 10.557 50 30 KKEARN COc1ccc(/C=N/C2(c3nnnn3/C(=C\c3ccc(Cl)cc3Cl)CC(C)(C)C)CCCCC2)cc1 ZINC000008397743 552997447 /nfs/dbraw/zinc/99/74/47/552997447.db2.gz ZMEZJXIRZPJDQV-SQBAEDFWSA-N 0 0 526.512 7.701 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(=O)OC)C1 ZINC000008397938 552997918 /nfs/dbraw/zinc/99/79/18/552997918.db2.gz IWQMIXJRUSSOHP-SECBINFHSA-N 0 0 709.487 8.727 50 30 KKEARN CCCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2sc3c(c2C(=O)OCCC)CC[C@H](C)C3)sc2c1CC[C@H](C)C2 ZINC000008398068 552998321 /nfs/dbraw/zinc/99/83/21/552998321.db2.gz OLIUUTGFPRDVKS-HOTGVXAUSA-N 0 0 660.752 8.340 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(C=O)ccc1O2 ZINC000008398318 552998716 /nfs/dbraw/zinc/99/87/16/552998716.db2.gz OLFCPFGEGZOCGD-DIPNUNPCSA-N 0 0 543.836 10.660 50 30 KKEARN CCCCCCCOC(=O)c1cc(-c2cc(C(=O)OCCCCCCC)c3ccccc3n2)nc2ccccc21 ZINC000008398495 552999137 /nfs/dbraw/zinc/99/91/37/552999137.db2.gz UERMJDAMIFUQEN-UHFFFAOYSA-N 0 0 540.704 8.704 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000008399193 553000547 /nfs/dbraw/zinc/00/05/47/553000547.db2.gz CKYQIKNXTJEYGJ-UHFFFAOYSA-N 0 0 508.603 5.920 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(OC)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000008399307 553000819 /nfs/dbraw/zinc/00/08/19/553000819.db2.gz DPGZOVXLPAVLBY-IUNIZMNESA-N 0 0 552.656 6.793 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccc(Cl)cc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000008399306 553000863 /nfs/dbraw/zinc/00/08/63/553000863.db2.gz OGOQETUPGHWMPY-VPROMNBDSA-N 0 0 557.075 7.438 50 30 KKEARN COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n32)c2c(OC)cccc12 ZINC000008399518 553001354 /nfs/dbraw/zinc/00/13/54/553001354.db2.gz MSCQKZVODPPGBY-LSDHQDQOSA-N 0 0 563.657 8.071 50 30 KKEARN CCOC(=O)c1ccc(NC2=NC(=S)N(c3ccc(C)cc3Br)C23CCCCC3)cc1 ZINC000008400408 553004652 /nfs/dbraw/zinc/00/46/52/553004652.db2.gz GWJVETWYRFMSEB-UHFFFAOYSA-N 0 0 500.462 6.062 50 30 KKEARN COCCN1C(=O)/C(=C\c2cc(Br)cc(I)c2O)S/C1=N\c1ccccc1 ZINC000008400422 553004716 /nfs/dbraw/zinc/00/47/16/553004716.db2.gz FUHMMECVYBZMJU-HDKKRFQTSA-N 0 0 559.223 5.010 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)cc(N3C(=O)c4ccccc4C3=O)c2)cc1)c1ccccc1 ZINC000008405101 553006862 /nfs/dbraw/zinc/00/68/62/553006862.db2.gz MWMMHADRWZKASJ-KNTRCKAVSA-N 0 0 617.617 6.436 50 30 biogenic,in-vitro KKEARN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c(C)c1 ZINC000008405440 553006933 /nfs/dbraw/zinc/00/69/33/553006933.db2.gz JRCXZSUSJFSBOB-FYQXZDNISA-N 0 0 527.580 6.165 50 30 KKEARN FC(F)(F)c1nc2ccccc2n1-c1nc(-n2c3ccccc3nc2C(F)(F)F)nc(-n2c3ccccc3nc2C(F)(F)F)n1 ZINC000008405412 553007034 /nfs/dbraw/zinc/00/70/34/553007034.db2.gz FATOTSKWNVWELT-UHFFFAOYSA-N 0 0 633.438 6.945 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3OCc3ccccc3)nc(NCc3ccco3)n2)cc1 ZINC000008405811 553007192 /nfs/dbraw/zinc/00/71/92/553007192.db2.gz JGJKGCVZODRELQ-MHDJOFBISA-N 0 0 773.373 7.063 50 30 KKEARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)ccc4O)cc3s2)cc1 ZINC000008405660 553007217 /nfs/dbraw/zinc/00/72/17/553007217.db2.gz RBAOVQXYQWNTCM-RPPGKUMJSA-N 0 0 603.463 5.875 50 30 KKEARN Cc1ccc(COc2c(Br)cc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2Br)cc1 ZINC000008407602 553008594 /nfs/dbraw/zinc/00/85/94/553008594.db2.gz JPPCHTDFRTUMEV-WJOKGBTCSA-N 0 0 631.408 9.562 50 30 KKEARN Cc1ccccc1OCCOc1ccc(Cl)cc1C=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000008407792 553009070 /nfs/dbraw/zinc/00/90/70/553009070.db2.gz DGUJKWSFMPNLJX-TWKHWXDSSA-N 0 0 521.065 5.543 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2C#N)cc(OC)c1OC ZINC000008412188 553009963 /nfs/dbraw/zinc/00/99/63/553009963.db2.gz YEHQKHOLHKUBLD-UHFFFAOYSA-N 0 0 518.620 5.500 50 30 aggregator KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c2C#N)c1OC ZINC000008412937 553009977 /nfs/dbraw/zinc/00/99/77/553009977.db2.gz LZYIMRHAPNPHIZ-UHFFFAOYSA-N 0 0 587.726 8.226 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)c1 ZINC000008412795 553009981 /nfs/dbraw/zinc/00/99/81/553009981.db2.gz HXQPDGYDFHUYFE-MHZLTWQESA-N 0 0 529.036 6.330 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccnc(C)c3)c2C#N)cc(OC)c1OC ZINC000008412186 553010016 /nfs/dbraw/zinc/01/00/16/553010016.db2.gz FICYJFMMVJMUTD-UHFFFAOYSA-N 0 0 526.618 5.747 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008412484 553010042 /nfs/dbraw/zinc/01/00/42/553010042.db2.gz XAWOFWOWAQDZHM-AREMUKBSSA-N 0 0 507.590 6.203 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000008413153 553010098 /nfs/dbraw/zinc/01/00/98/553010098.db2.gz AQLIVDQFSQKABK-JOCHJYFZSA-N 0 0 526.431 5.104 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c2C#N)c1 ZINC000008412941 553010115 /nfs/dbraw/zinc/01/01/15/553010115.db2.gz KTYPQBLEPAMEEB-UHFFFAOYSA-N 0 0 587.726 8.226 50 30 KKEARN CCCCOc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000008414323 553010371 /nfs/dbraw/zinc/01/03/71/553010371.db2.gz PEZGPBOWDNDSQR-UHFFFAOYSA-N 0 0 515.557 6.557 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000008414868 553010521 /nfs/dbraw/zinc/01/05/21/553010521.db2.gz XWKRKEYIDNSNQU-OLILMLBXSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000008414829 553010545 /nfs/dbraw/zinc/01/05/45/553010545.db2.gz BRGWDOLJCWLOIX-ADXZGYQBSA-N 0 0 597.033 7.376 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000008414824 553010584 /nfs/dbraw/zinc/01/05/84/553010584.db2.gz BRGWDOLJCWLOIX-SLQAJWMNSA-N 0 0 597.033 7.376 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000008414991 553010861 /nfs/dbraw/zinc/01/08/61/553010861.db2.gz QSFPYBCXYKKPAJ-PPHZAIPVSA-N 0 0 500.545 5.974 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)c1OC ZINC000008415161 553010881 /nfs/dbraw/zinc/01/08/81/553010881.db2.gz FARJUPQVSGGFQV-QFIPXVFZSA-N 0 0 520.935 5.983 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008415047 553010912 /nfs/dbraw/zinc/01/09/12/553010912.db2.gz KQDAYJBMTQNFQB-XRHLQHRESA-N 0 0 571.426 8.013 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000008414976 553010922 /nfs/dbraw/zinc/01/09/22/553010922.db2.gz NZCCEYRIOMNUCB-HMILPKGGSA-N 0 0 500.545 5.974 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415419 553011035 /nfs/dbraw/zinc/01/10/35/553011035.db2.gz XXZJPXQUABGBNX-NDEPHWFRSA-N 0 0 514.572 7.000 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000008416200 553011993 /nfs/dbraw/zinc/01/19/93/553011993.db2.gz XPOFCAYEHKVUCN-SDUSCBPUSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000008416402 553012245 /nfs/dbraw/zinc/01/22/45/553012245.db2.gz GPCLOEKABHCKNH-GPUOULLFSA-N 0 0 568.464 5.172 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000008424811 553014552 /nfs/dbraw/zinc/01/45/52/553014552.db2.gz LWVQKLSGQCWQNY-VLOXRPPESA-N 0 0 652.792 5.542 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000008425045 553014700 /nfs/dbraw/zinc/01/47/00/553014700.db2.gz GLRWJYMPXPOFQD-PSXMRANNSA-N 0 0 571.721 8.517 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000008425877 553016984 /nfs/dbraw/zinc/01/69/84/553016984.db2.gz RTNXTDZMSOPJFG-LHBBPENESA-N 0 0 615.711 5.445 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3cccc(N4C(=O)C[C@@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)c3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000008426197 553017794 /nfs/dbraw/zinc/01/77/94/553017794.db2.gz OTUJGBMKONUWEU-VSGBNLITSA-N 0 0 840.834 8.563 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426293 553018102 /nfs/dbraw/zinc/01/81/02/553018102.db2.gz WWACXUWSHFCXGU-USXNEUTHSA-N 0 0 642.634 8.668 50 30 KKEARN COc1cc(/C=N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008426917 553019020 /nfs/dbraw/zinc/01/90/20/553019020.db2.gz KCYYEAXHTLHGMI-CMNXJCJSSA-N 0 0 632.498 6.374 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc3ccccc3n2)cc1 ZINC000008427525 553020067 /nfs/dbraw/zinc/02/00/67/553020067.db2.gz RJBNLKOTFOUXMI-MJVKXCJRSA-N 0 0 524.664 8.634 50 30 KKEARN O=C(Nc1c2ccccc2nc2ccccc21)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000008427567 553020079 /nfs/dbraw/zinc/02/00/79/553020079.db2.gz XIUJSVPLEWZVDD-OAHLLOKOSA-N 0 0 506.271 6.362 50 30 KKEARN Cc1cc(-c2ccc(/C=N/c3c(-c4ccc(Cl)cc4Cl)nc4ccccn43)o2)c(C)c([N+](=O)[O-])c1 ZINC000008427648 553020355 /nfs/dbraw/zinc/02/03/55/553020355.db2.gz ZGCIOJTYNSNKTA-IPPBACCNSA-N 0 0 505.361 7.844 50 30 KKEARN COc1cc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000008430265 553021364 /nfs/dbraw/zinc/02/13/64/553021364.db2.gz ZZNOVIDYPKCGOU-BJLXPSRBSA-N 0 0 546.620 5.718 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008430400 553021500 /nfs/dbraw/zinc/02/15/00/553021500.db2.gz SHMRPNGYPDKCOP-YMGMXPECSA-N 0 0 500.551 5.421 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008430392 553021515 /nfs/dbraw/zinc/02/15/15/553021515.db2.gz SHMRPNGYPDKCOP-UULLZXFKSA-N 0 0 500.551 5.421 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000008430947 553022155 /nfs/dbraw/zinc/02/21/55/553022155.db2.gz AXBFOEIDWXCFGK-SSEXGKCCSA-N 0 0 511.641 7.129 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000008431128 553022389 /nfs/dbraw/zinc/02/23/89/553022389.db2.gz QKCSXRVQBKKBGD-WXNYECDESA-N 0 0 756.318 9.249 50 30 KKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C(=O)c2ccccc2)C(=O)N(CCCC)C1=O ZINC000008431368 553022876 /nfs/dbraw/zinc/02/28/76/553022876.db2.gz GHLMBTYYPMGYHF-NJNXFGOHSA-N 0 0 538.088 6.818 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccc(Br)cc5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000008431739 553023900 /nfs/dbraw/zinc/02/39/00/553023900.db2.gz BYSPWCQRKAHEDH-CQSZACIVSA-N 0 0 636.925 8.167 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000008431810 553024203 /nfs/dbraw/zinc/02/42/03/553024203.db2.gz DIKSYMCLSKXBQY-MGBGTMOVSA-N 0 0 528.652 7.722 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1c(Br)cc(Cl)cc1Br ZINC000008433184 553028308 /nfs/dbraw/zinc/02/83/08/553028308.db2.gz RKXCZXNHCBWVLL-UHFFFAOYSA-N 0 0 625.795 7.220 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000008433292 553028547 /nfs/dbraw/zinc/02/85/47/553028547.db2.gz PICJHQSPVVXSLA-PMERELPUSA-N 0 0 556.659 5.487 50 30 KKEARN COc1cc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc(OC)c1OC ZINC000008437041 553031234 /nfs/dbraw/zinc/03/12/34/553031234.db2.gz WGYCSRDVRFMMCR-WQRHYEAKSA-N 0 0 505.523 5.303 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)c(C)c1 ZINC000008439989 553036450 /nfs/dbraw/zinc/03/64/50/553036450.db2.gz XBHGNZHBEIKZKP-UHFFFAOYSA-N 0 0 505.687 7.932 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000008439986 553036456 /nfs/dbraw/zinc/03/64/56/553036456.db2.gz GRAUSFGUPLZZLU-UHFFFAOYSA-N 0 0 511.650 7.994 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000008440347 553037472 /nfs/dbraw/zinc/03/74/72/553037472.db2.gz VKRBJIKHEWHXMH-IFDYJGHISA-N 0 0 562.666 6.045 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000008440349 553037503 /nfs/dbraw/zinc/03/75/03/553037503.db2.gz VKRBJIKHEWHXMH-RYHYHUEASA-N 0 0 562.666 6.045 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000008440720 553038397 /nfs/dbraw/zinc/03/83/97/553038397.db2.gz BYXSVDKDONZYMY-RBISFHTESA-N 0 0 505.611 5.035 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008440848 553038670 /nfs/dbraw/zinc/03/86/70/553038670.db2.gz GZTLKCPGQIJVJN-AHWVRZQESA-N 0 0 548.433 5.785 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C ZINC000008440885 553038683 /nfs/dbraw/zinc/03/86/83/553038683.db2.gz GNHOSQPNEUJRGF-AREMUKBSSA-N 0 0 538.482 6.422 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000008440933 553038868 /nfs/dbraw/zinc/03/88/68/553038868.db2.gz GNFCDUWNPKSYFP-MHZLTWQESA-N 0 0 557.087 5.074 50 30 KKEARN CCOC(=O)c1c2c(sc1N(Cc1ccccc1O)C(=O)CO/N=C(\C)c1cccs1)CCCC2 ZINC000008441028 553039216 /nfs/dbraw/zinc/03/92/16/553039216.db2.gz CMJFOYYINMKMGK-WPWMEQJKSA-N 0 0 512.653 5.545 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441080 553039466 /nfs/dbraw/zinc/03/94/66/553039466.db2.gz ORGNVLGYHNNCQD-QFIPXVFZSA-N 0 0 519.420 6.404 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008441188 553039786 /nfs/dbraw/zinc/03/97/86/553039786.db2.gz ADIBHJVBAUYSKS-HSZRJFAPSA-N 0 0 500.576 6.307 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc4ccccc43)c2C#N)cc1 ZINC000008441446 553040664 /nfs/dbraw/zinc/04/06/64/553040664.db2.gz ZNBNJVAJIHPGID-UHFFFAOYSA-N 0 0 515.638 7.488 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000008441480 553040981 /nfs/dbraw/zinc/04/09/81/553040981.db2.gz NKVCWTQAJXLLBS-XRQHJSPUSA-N 0 0 525.601 5.346 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000008441673 553041421 /nfs/dbraw/zinc/04/14/21/553041421.db2.gz XICGWVPCPYKOII-WJOKGBTCSA-N 0 0 602.668 7.721 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008441667 553041472 /nfs/dbraw/zinc/04/14/72/553041472.db2.gz MIEPYFPNYLZJMZ-AREMUKBSSA-N 0 0 524.598 6.923 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(F)cc2Cl)c(C)s1 ZINC000008441658 553041544 /nfs/dbraw/zinc/04/15/44/553041544.db2.gz XXBRNBCKXNPGMG-XMMPIXPASA-N 0 0 504.023 6.205 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000008441730 553041873 /nfs/dbraw/zinc/04/18/73/553041873.db2.gz LJKQUKLBNLEFDN-HHHXNRCGSA-N 0 0 552.608 6.789 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000008441716 553041898 /nfs/dbraw/zinc/04/18/98/553041898.db2.gz OUMGRERBGAAKRO-PMERELPUSA-N 0 0 596.705 7.876 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(CC)s1 ZINC000008441840 553042731 /nfs/dbraw/zinc/04/27/31/553042731.db2.gz BCSLPJNHYOSHJS-AREMUKBSSA-N 0 0 558.538 6.819 50 30 KKEARN CCCCCCCCS(=O)(=O)C[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008442353 553043382 /nfs/dbraw/zinc/04/33/82/553043382.db2.gz CKRGGBHFICVCLL-SANMLTNESA-N 0 0 536.763 6.824 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000008442516 553043729 /nfs/dbraw/zinc/04/37/29/553043729.db2.gz DJGDXZSGZOOQBK-NDEPHWFRSA-N 0 0 553.665 8.411 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000008442518 553043952 /nfs/dbraw/zinc/04/39/52/553043952.db2.gz DJGDXZSGZOOQBK-MUUNZHRXSA-N 0 0 553.665 8.411 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc(Cl)cc5)o4)cc3s2)c(C)c1 ZINC000008442635 553044219 /nfs/dbraw/zinc/04/42/19/553044219.db2.gz PSXZKXBRZGGABO-GYJUCFALSA-N 0 0 560.144 9.005 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1 ZINC000008442781 553044312 /nfs/dbraw/zinc/04/43/12/553044312.db2.gz CPFWGQWXQNPJTB-TWKHWXDSSA-N 0 0 509.614 5.639 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1 ZINC000008442834 553044373 /nfs/dbraw/zinc/04/43/73/553044373.db2.gz QHPKMQNJSCWBFH-RUMWWMSVSA-N 0 0 531.620 6.783 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000008442964 553044722 /nfs/dbraw/zinc/04/47/22/553044722.db2.gz SICKUEWAUAZJEE-OTDFFUQNSA-N 0 0 527.580 6.111 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3OCc3ccccc3)nc(NCc3ccco3)n2)cc1 ZINC000008443010 553045097 /nfs/dbraw/zinc/04/50/97/553045097.db2.gz OVGORKVKXJEHKP-VTNSRFBWSA-N 0 0 600.477 6.616 50 30 KKEARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(Oc4ccccc4)c3)sc2=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000008443201 553045635 /nfs/dbraw/zinc/04/56/35/553045635.db2.gz FZMPGKILGGPPJO-IREVPNGTSA-N 0 0 613.695 5.485 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NCCOc4ccccc4)sc3c2)cc1 ZINC000008443753 553047834 /nfs/dbraw/zinc/04/78/34/553047834.db2.gz MPEKIMRGPKYESA-UHFFFAOYSA-N 0 0 619.853 8.355 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000008443911 553048399 /nfs/dbraw/zinc/04/83/99/553048399.db2.gz WWGKPILAYPDWOI-GDLZYMKVSA-N 0 0 501.026 6.734 50 30 KKEARN CCCC[C@@H](CC)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000008443997 553048889 /nfs/dbraw/zinc/04/88/89/553048889.db2.gz SRLSLNUPEKAHCA-JPZYQRIQSA-N 0 0 532.725 7.843 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000008444073 553049014 /nfs/dbraw/zinc/04/90/14/553049014.db2.gz UCJLBPVQURQKIB-WOPWWUTRSA-N 0 0 554.687 7.193 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccccc1OCCC ZINC000008444097 553049017 /nfs/dbraw/zinc/04/90/17/553049017.db2.gz YRAMIVRCEXKZOZ-LHAPQZOASA-N 0 0 552.715 7.965 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000008444378 553050156 /nfs/dbraw/zinc/05/01/56/553050156.db2.gz KUZAOGPQXKIDEU-BNHRFMORSA-N 0 0 518.588 7.049 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000008444439 553050353 /nfs/dbraw/zinc/05/03/53/553050353.db2.gz NKNTXUAWJIGWJT-HGGZLQRRSA-N 0 0 565.758 8.022 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3cccs3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008444536 553050603 /nfs/dbraw/zinc/05/06/03/553050603.db2.gz XUHHBDMKAPSNPI-CKUKBARFSA-N 0 0 526.009 6.569 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008444787 553051624 /nfs/dbraw/zinc/05/16/24/553051624.db2.gz ADCGQPSAWYLLHB-JESJEVRBSA-N 0 0 771.608 6.139 50 30 KKEARN CC(C)(C)c1ccc(Sc2c(Sc3ccccc3)c(C#N)c(C#N)c(Sc3ccccc3)c2Sc2ccc(C(C)(C)C)cc2)cc1 ZINC000008444788 553051636 /nfs/dbraw/zinc/05/16/36/553051636.db2.gz OSESACYWVHKBOR-UHFFFAOYSA-N 0 0 673.010 12.630 50 30 KKEARN COc1ccc(CN=Nc2nc(N=NCc3ccc(OC)cc3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000008444972 553052716 /nfs/dbraw/zinc/05/27/16/553052716.db2.gz BACIDYPULSCSKL-TWOPAUOSSA-N 0 0 604.671 6.268 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(N(CC)CC)cc3)C2)[C@H]1c1ccco1 ZINC000008445066 553053104 /nfs/dbraw/zinc/05/31/04/553053104.db2.gz HJXSFSNWYRJIMN-GJBXTBEHSA-N 0 0 525.693 7.607 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3)C2)cc1 ZINC000008445123 553053377 /nfs/dbraw/zinc/05/33/77/553053377.db2.gz NXXUVXLZWLKZGY-ZTOMLWHTSA-N 0 0 534.578 7.328 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3)C2)cc1 ZINC000008445122 553053454 /nfs/dbraw/zinc/05/34/54/553053454.db2.gz NXXUVXLZWLKZGY-MNNSJKJDSA-N 0 0 534.578 7.328 50 30 KKEARN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)c(OC)c2)c1C#N ZINC000008445777 553054903 /nfs/dbraw/zinc/05/49/03/553054903.db2.gz PGEXGSJZVAYSIB-UHFFFAOYSA-N 0 0 537.685 7.215 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000008445808 553054937 /nfs/dbraw/zinc/05/49/37/553054937.db2.gz KGZSYDSWXPIPMI-UHFFFAOYSA-N 0 0 562.094 8.347 50 30 KKEARN CCc1nnc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2C#N)s1 ZINC000008445838 553055110 /nfs/dbraw/zinc/05/51/10/553055110.db2.gz JTVZASQQLSUKMW-UHFFFAOYSA-N 0 0 531.663 5.758 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3nnc(CC)s3)n2)cc1 ZINC000008446092 553055317 /nfs/dbraw/zinc/05/53/17/553055317.db2.gz AFJVOUAODSOSFH-UHFFFAOYSA-N 0 0 501.637 5.831 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N ZINC000008448475 553055981 /nfs/dbraw/zinc/05/59/81/553055981.db2.gz QUCORYMEPVOTDL-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)Nc2nc3ccccc3s2)c1C#N ZINC000008448628 553056238 /nfs/dbraw/zinc/05/62/38/553056238.db2.gz KRTWOSXMTGRFGL-UHFFFAOYSA-N 0 0 508.628 6.636 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O ZINC000008448980 553056811 /nfs/dbraw/zinc/05/68/11/553056811.db2.gz LFHGYSVZKIXVNE-UHFFFAOYSA-N 0 0 507.671 7.744 50 30 KKEARN CCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000008449016 553056993 /nfs/dbraw/zinc/05/69/93/553056993.db2.gz IPDMDQRDUQQSDB-MHZLTWQESA-N 0 0 546.664 5.802 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000008449661 553057454 /nfs/dbraw/zinc/05/74/54/553057454.db2.gz TURRGDBRPLVPPO-MHBLHXNPSA-N 0 0 614.580 7.887 50 30 KKEARN COc1ccc(OCc2ccc([C@H]3C(C(=O)Nc4ccccn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1 ZINC000008450280 553057958 /nfs/dbraw/zinc/05/79/58/553057958.db2.gz DXALUARSVINKSD-NDEPHWFRSA-N 0 0 513.594 5.505 50 30 KKEARN COc1ccc(OCc2cc([C@@H]3C(C(=O)Nc4cc(C)ccn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)cc1 ZINC000008450309 553058012 /nfs/dbraw/zinc/05/80/12/553058012.db2.gz QGZMEUWKCPAVQP-SSEXGKCCSA-N 0 0 539.632 5.593 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008450291 553058071 /nfs/dbraw/zinc/05/80/71/553058071.db2.gz JTLSSSUGFQDQCN-WXTAPIANSA-N 0 0 515.411 5.239 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 ZINC000008450284 553058079 /nfs/dbraw/zinc/05/80/79/553058079.db2.gz YIVKNYGSDRLGHB-ZIIROOFJSA-N 0 0 640.689 5.896 50 30 KKEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000008450539 553058504 /nfs/dbraw/zinc/05/85/04/553058504.db2.gz GNJBGKKTEDJJRU-MWAVMZGNSA-N 0 0 615.727 5.917 50 30 KKEARN CC(C)Oc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000008451234 553060553 /nfs/dbraw/zinc/06/05/53/553060553.db2.gz FEBMZPZUJDRZHV-LFSXOUKUSA-N 0 0 517.673 6.661 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4sc5c(c4C#N)CCCC5)sc3n2)c(OC)c1 ZINC000008451250 553060595 /nfs/dbraw/zinc/06/05/95/553060595.db2.gz PZUZQFIGSZAPAT-UHFFFAOYSA-N 0 0 558.607 6.646 50 30 KKEARN Cc1cccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c1 ZINC000008451373 553060777 /nfs/dbraw/zinc/06/07/77/553060777.db2.gz OVLAPKCPGFTMSV-WEMUVCOSSA-N 0 0 538.700 5.640 50 30 KKEARN Cc1ccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)cc1 ZINC000008451372 553060813 /nfs/dbraw/zinc/06/08/13/553060813.db2.gz HDKZOFQVCFGAME-WEMUVCOSSA-N 0 0 538.700 5.640 50 30 KKEARN c1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1cccc2ccccc21 ZINC000008451377 553061029 /nfs/dbraw/zinc/06/10/29/553061029.db2.gz QNOQXXSQSYILOY-PPOKSSTKSA-N 0 0 544.707 6.454 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008451567 553061580 /nfs/dbraw/zinc/06/15/80/553061580.db2.gz XZPJHJGKXZKNSO-FSJBWODESA-N 0 0 567.505 6.471 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000008452700 553064190 /nfs/dbraw/zinc/06/41/90/553064190.db2.gz KQIBVZOBGIXMRD-XOXQHGIQSA-N 0 0 706.500 9.841 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C\c3ccccc3OC)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452861 553064899 /nfs/dbraw/zinc/06/48/99/553064899.db2.gz QAYOFIMJSNTWLH-UCXPDUAKSA-N 0 0 530.602 5.857 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C\c3ccc(O)c(OCC)c3)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452862 553064923 /nfs/dbraw/zinc/06/49/23/553064923.db2.gz BUEAKGXNQDLOLY-CWZYGFPESA-N 0 0 560.628 5.953 50 30 KKEARN N#CCSc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)n1Cc1ccccc1 ZINC000008453240 553065792 /nfs/dbraw/zinc/06/57/92/553065792.db2.gz UBVIVUBKSFYTCS-UHFFFAOYSA-N 0 0 531.670 6.530 50 30 KKEARN C=CCc1ccccc1OCCn1c(C)c(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c2ccccc21 ZINC000008453466 553066005 /nfs/dbraw/zinc/06/60/05/553066005.db2.gz WWPZEZCOSQUFEO-JCEVRSCOSA-N 0 0 580.113 7.078 50 30 KKEARN C=CCc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000008453471 553066260 /nfs/dbraw/zinc/06/62/60/553066260.db2.gz OYEMBFMDXVBHNS-ZDXYNCBASA-N 0 0 591.693 6.156 50 30 KKEARN O=C(/C=C/c1ccccc1)Sc1ccc(Sc2ccc(SC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000008453741 553066967 /nfs/dbraw/zinc/06/69/67/553066967.db2.gz MKHOBWKPGOMIBA-XHQRYOPUSA-N 0 0 510.705 8.502 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000008454122 553067580 /nfs/dbraw/zinc/06/75/80/553067580.db2.gz FGXHOSIEWBJTTK-JREUYWDSSA-N 0 0 666.828 6.532 50 30 KKEARN Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c4)c3N2)cc1 ZINC000008454745 553069553 /nfs/dbraw/zinc/06/95/53/553069553.db2.gz HVTDCGLLCOKPJA-UXHICEINSA-N 0 0 610.477 7.027 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C/c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000008455801 553073858 /nfs/dbraw/zinc/07/38/58/553073858.db2.gz ZBTACJUJVBZNIC-SEKXJNOLSA-N 0 0 547.519 8.585 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(c3Cl)N[C@@H](c3ccccc3)C[C@@H]4C(F)(F)F)sc2C1 ZINC000008455851 553073993 /nfs/dbraw/zinc/07/39/93/553073993.db2.gz XLYNOCUQHCNVHY-XHBKTUGNSA-N 0 0 519.980 6.507 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008456341 553074470 /nfs/dbraw/zinc/07/44/70/553074470.db2.gz QDKVMYKHNIKGFM-NJZRLIGZSA-N 0 0 507.642 5.837 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(OC)c3)C(C#N)(C#N)[C@H]3C=Cc4cc(Br)ccc4N32)cc1 ZINC000008456410 553074700 /nfs/dbraw/zinc/07/47/00/553074700.db2.gz LLGXBIAYHQILED-PFBJBMPXSA-N 0 0 540.417 5.751 50 30 KKEARN Cc1cc(C)n(-c2nc(N=NCc3ccccc3OCc3ccccc3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000008456381 553074725 /nfs/dbraw/zinc/07/47/25/553074725.db2.gz SXFIYRRVHIYFMJ-UXHLAJHPSA-N 0 0 504.598 5.751 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000008456887 553074954 /nfs/dbraw/zinc/07/49/54/553074954.db2.gz HBAKNJKEHIOPEY-GDLZYMKVSA-N 0 0 506.577 6.795 50 30 KKEARN COc1ccccc1OCCOc1c(Cl)cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1OC ZINC000008492244 553075894 /nfs/dbraw/zinc/07/58/94/553075894.db2.gz BIIGCBQWJZYOBY-AJBULDERSA-N 0 0 567.090 5.251 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000008590165 553081752 /nfs/dbraw/zinc/08/17/52/553081752.db2.gz VYHBCWDHWUZCGX-UHFFFAOYSA-N 0 0 503.477 5.686 50 30 KKEARN C=CCN(c1ccccc1C1=N/C(=C\c2ccccc2Cl)C(=O)O1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008626803 553104221 /nfs/dbraw/zinc/10/42/21/553104221.db2.gz SUWCOVSVYSIYRX-JWGURIENSA-N 0 0 513.402 5.719 50 30 KKEARN C=C1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000008647914 553106483 /nfs/dbraw/zinc/10/64/83/553106483.db2.gz ZFPYLWKVHDRZQT-KMKAFXEASA-N 0 0 522.641 6.829 50 30 KKEARN Cc1cc(C)c(C#N)c(S[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000008648802 553107264 /nfs/dbraw/zinc/10/72/64/553107264.db2.gz XRGOTEIHUGVTBC-FQEVSTJZSA-N 0 0 509.475 7.080 50 30 KKEARN CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1 ZINC000008694800 553120612 /nfs/dbraw/zinc/12/06/12/553120612.db2.gz ZSXYUKJFAOIZMK-MUUNZHRXSA-N 0 0 514.670 6.905 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000008694767 553120624 /nfs/dbraw/zinc/12/06/24/553120624.db2.gz YDHRTOCJSHIHJT-UXHLAJHPSA-N 0 0 584.950 6.293 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccccc23)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695075 553120867 /nfs/dbraw/zinc/12/08/67/553120867.db2.gz IREHCFDZGUJHCZ-BVNFUTIRSA-N 0 0 526.596 6.016 50 30 KKEARN COc1ccc2[nH]c(C)c(CCNC(c3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695156 553120896 /nfs/dbraw/zinc/12/08/96/553120896.db2.gz OWRUKQMTAIUDLC-HIELXXDYSA-N 0 0 570.649 6.333 50 30 KKEARN COc1ccc2[nH]cc(CCNC(c3ccccc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695076 553120957 /nfs/dbraw/zinc/12/09/57/553120957.db2.gz NBHKRRCKEJVWIC-LLZINOMRSA-N 0 0 556.622 6.025 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccccc2Cl)cc1 ZINC000008695603 553122446 /nfs/dbraw/zinc/12/24/46/553122446.db2.gz JIOPGTXJOJRDLA-WXTAPIANSA-N 0 0 510.943 7.111 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccccc2Cl)cc1 ZINC000008695604 553122487 /nfs/dbraw/zinc/12/24/87/553122487.db2.gz JIOPGTXJOJRDLA-HFJWLAOPSA-N 0 0 510.943 7.111 50 30 KKEARN COc1ccc(/C=C\C(=O)c2ccc(OS(=O)(=O)c3ccc(Br)cc3)cc2)c(OC)c1 ZINC000008733359 553130427 /nfs/dbraw/zinc/13/04/27/553130427.db2.gz CMPOBVPVQRQYEO-NSIKDUERSA-N 0 0 503.370 5.130 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008738386 553130784 /nfs/dbraw/zinc/13/07/84/553130784.db2.gz BROLIOGUOXDCII-RUZDIDTESA-N 0 0 514.603 6.022 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008739815 553131531 /nfs/dbraw/zinc/13/15/31/553131531.db2.gz YFORXSNOEFIIDQ-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)c1 ZINC000008739819 553131603 /nfs/dbraw/zinc/13/16/03/553131603.db2.gz HULAUPMTUWZNSS-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008741107 553132365 /nfs/dbraw/zinc/13/23/65/553132365.db2.gz RRQIYSTUTXRUDL-HPMVVLTCSA-N 0 0 507.678 7.234 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccc(F)cc2)cc1 ZINC000008754552 553135890 /nfs/dbraw/zinc/13/58/90/553135890.db2.gz CMOQEAKSMQMAOF-HSZRJFAPSA-N 0 0 516.594 5.140 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1OC ZINC000008756713 553136200 /nfs/dbraw/zinc/13/62/00/553136200.db2.gz VJGQYPIHNSOSND-NNMHWGRNSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)C=Cc3ccc(Cl)cc3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000008758477 553137012 /nfs/dbraw/zinc/13/70/12/553137012.db2.gz NSXHEBUIYFJWTO-IZZDOVSWSA-N 0 0 503.006 5.077 50 30 KKEARN COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3ccc(Cl)cc3)c[nH]c2c1 ZINC000008758595 553137053 /nfs/dbraw/zinc/13/70/53/553137053.db2.gz NSOGRLBPQOTGBQ-UHFFFAOYSA-N 0 0 523.062 5.156 50 30 KKEARN Cc1ccc(C(C)C)c(OCCOc2cccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c2)c1 ZINC000008769044 553140516 /nfs/dbraw/zinc/14/05/16/553140516.db2.gz XTRNCVXZEWYRPY-NJZRLIGZSA-N 0 0 529.689 5.408 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008771456 553141248 /nfs/dbraw/zinc/14/12/48/553141248.db2.gz FSOSTARUBPDHAL-QHCPKHFHSA-N 0 0 502.661 7.001 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008770843 553141330 /nfs/dbraw/zinc/14/13/30/553141330.db2.gz UQKVHFJORMZJAU-LJAQVGFWSA-N 0 0 522.645 6.685 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008774513 553142095 /nfs/dbraw/zinc/14/20/95/553142095.db2.gz WRDALIHFYZKHDS-AREMUKBSSA-N 0 0 535.427 6.694 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000008775560 553142361 /nfs/dbraw/zinc/14/23/61/553142361.db2.gz YICJEHMECYHBSI-XMMPIXPASA-N 0 0 535.825 6.405 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1)c1ccc(Br)cc1 ZINC000008774733 553142374 /nfs/dbraw/zinc/14/23/74/553142374.db2.gz BFQUFJGZOQQVAX-QFIPXVFZSA-N 0 0 507.409 5.813 50 30 KKEARN O=C(N=CNNc1ccccc1Cl)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000008781911 553144716 /nfs/dbraw/zinc/14/47/16/553144716.db2.gz SOKALFJPMJFQLR-GOSISDBHSA-N 0 0 501.723 6.364 50 30 KKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Br)cc1 ZINC000008809604 553147966 /nfs/dbraw/zinc/14/79/66/553147966.db2.gz KHTBMMYREQCKQO-UHFFFAOYSA-N 0 0 503.396 7.164 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008817147 553152594 /nfs/dbraw/zinc/15/25/94/553152594.db2.gz RMICVHCEBFYRHH-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN O=C(NCCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)Nc1cccc(C(F)(F)F)c1 ZINC000008828935 553157505 /nfs/dbraw/zinc/15/75/05/553157505.db2.gz BBJZUVSSUKOHDO-UHFFFAOYSA-N 0 0 547.374 5.139 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008836944 553163558 /nfs/dbraw/zinc/16/35/58/553163558.db2.gz UCBLJZZGELJEOX-OSPAZUARSA-N 0 0 528.652 7.576 50 30 KKEARN Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C ZINC000008855028 553167020 /nfs/dbraw/zinc/16/70/20/553167020.db2.gz VKOJMTVWLGMEGV-OPEKNORGSA-N 0 0 504.894 5.641 50 30 KKEARN COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(/N=C/c3cc(Br)ccc3O)n2)cc1 ZINC000008856878 553167839 /nfs/dbraw/zinc/16/78/39/553167839.db2.gz JGMWXXISEIVBQT-UUYAOZHUSA-N 0 0 544.236 6.966 50 30 KKEARN Cc1nc2cc(C)ccn2c1/C(CSc1ccc(Cl)cc1)=N/OCc1cccc(C(F)(F)F)c1 ZINC000008857248 553168067 /nfs/dbraw/zinc/16/80/67/553168067.db2.gz YMFMDVDXUKRFTK-DFKUXCBWSA-N 0 0 503.977 7.337 50 30 KKEARN CCOc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3o2)ccc1OCc1ccccc1Cl ZINC000008859255 553169279 /nfs/dbraw/zinc/16/92/79/553169279.db2.gz YVFKRLFZLKBPGL-MOHJPFBDSA-N 0 0 509.989 7.882 50 30 KKEARN C=CCn1c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)nnc1-c1cccnc1 ZINC000008861246 553170378 /nfs/dbraw/zinc/17/03/78/553170378.db2.gz YHPWUBLZXVIZSM-UHFFFAOYSA-N 0 0 506.418 6.493 50 30 KKEARN Cc1ccc(COc2c(Br)cc(CN=Nc3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)cc2Br)cc1 ZINC000008872121 553172213 /nfs/dbraw/zinc/17/22/13/553172213.db2.gz GKVFBKXDTCFJNX-ATZGPIRCSA-N 0 0 669.397 7.603 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008872041 553172215 /nfs/dbraw/zinc/17/22/15/553172215.db2.gz PPYXIXMMOFZAFU-KCSSXMTESA-N 0 0 578.504 6.946 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008872240 553172963 /nfs/dbraw/zinc/17/29/63/553172963.db2.gz PSSMGBJSTNOSBQ-QNKGDIEWSA-N 0 0 573.742 5.429 50 30 KKEARN Clc1ccccc1COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000008872327 553173075 /nfs/dbraw/zinc/17/30/75/553173075.db2.gz KAXUGAIZKQCOIJ-RDRPBHBLSA-N 0 0 516.005 5.130 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCOCCOc3ccc(C)c(C)c3)c(OCC)c2)SC1=S ZINC000008872483 553173584 /nfs/dbraw/zinc/17/35/84/553173584.db2.gz ZSJHOYYGFSQQEG-XIEYBQDHSA-N 0 0 513.681 5.564 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)c(Cl)c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872796 553174148 /nfs/dbraw/zinc/17/41/48/553174148.db2.gz QUGIJHJJSWRBLT-MNDYBZJGSA-N 0 0 574.960 6.774 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3c4ccccc4cc4ccccc43)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872898 553174352 /nfs/dbraw/zinc/17/43/52/553174352.db2.gz DTCWFEGXZBWDBZ-APTWKGOFSA-N 0 0 554.614 7.636 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1cccc(Cl)c1 ZINC000008892166 553176494 /nfs/dbraw/zinc/17/64/94/553176494.db2.gz IYHIWNUXEBERCY-ZZHIIEOYSA-N 0 0 530.112 7.635 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000008894064 553177484 /nfs/dbraw/zinc/17/74/84/553177484.db2.gz XKFVCCGIELARAP-AREMUKBSSA-N 0 0 512.631 6.828 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008896915 553179077 /nfs/dbraw/zinc/17/90/77/553179077.db2.gz QNEVCIQDYQLUAA-XMMPIXPASA-N 0 0 500.576 6.108 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2cc(C)ccc2C(C)C)SC1=S ZINC000008916146 553186594 /nfs/dbraw/zinc/18/65/94/553186594.db2.gz TXTBEOHTUKGCOB-JLPGSUDCSA-N 0 0 502.101 7.007 50 30 KKEARN CC(C)(C)c1ccc2[nH]c3c(c2c1)CCCC3=NN=C1C(=O)Nc2c1cc(Br)cc2[N+](=O)[O-] ZINC000008926189 553191003 /nfs/dbraw/zinc/19/10/03/553191003.db2.gz DNLBPLONHOYRPK-MTDXEUNCSA-N 0 0 508.376 6.267 50 30 KKEARN C=CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000008934231 553192671 /nfs/dbraw/zinc/19/26/71/553192671.db2.gz ROXPFWSXKBQCNW-SFHVURJKSA-N 0 0 518.228 6.756 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccccc3F)S2)cc1 ZINC000008952394 553193983 /nfs/dbraw/zinc/19/39/83/553193983.db2.gz PXNGSJPRHWLQGJ-FJOMVMCCSA-N 0 0 521.570 5.114 50 30 KKEARN CN=C(Nc1ccc(Cl)c(C(F)(F)F)c1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000008955678 553194496 /nfs/dbraw/zinc/19/44/96/553194496.db2.gz KAPRPLIPWZJDFR-OAHLLOKOSA-N 0 0 510.752 5.938 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973929 553195449 /nfs/dbraw/zinc/19/54/49/553195449.db2.gz KZHWNGBDEQQNSW-AREMUKBSSA-N 0 0 510.659 7.302 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008982896 553196068 /nfs/dbraw/zinc/19/60/68/553196068.db2.gz RINCIRYZDTZFCP-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008996379 553197164 /nfs/dbraw/zinc/19/71/64/553197164.db2.gz WLTPDUXEROEQHU-SANMLTNESA-N 0 0 526.658 7.002 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008996997 553197490 /nfs/dbraw/zinc/19/74/90/553197490.db2.gz XQTJXEPWLYSALG-RUZDIDTESA-N 0 0 514.603 6.022 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009007610 553198062 /nfs/dbraw/zinc/19/80/62/553198062.db2.gz CFIKBMQEVMCVOD-QFIPXVFZSA-N 0 0 502.548 5.105 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009008369 553198813 /nfs/dbraw/zinc/19/88/13/553198813.db2.gz BXKFLBSWURFIJO-HSZRJFAPSA-N 0 0 508.596 5.349 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000009009044 553199188 /nfs/dbraw/zinc/19/91/88/553199188.db2.gz ILDDGKYCYKBCJY-BOBZGOHDSA-N 0 0 506.522 6.305 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000009010197 553199748 /nfs/dbraw/zinc/19/97/48/553199748.db2.gz BDIROGJSONMMGD-QYBDOPJKSA-N 0 0 526.029 5.766 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC3 ZINC000009012965 553199876 /nfs/dbraw/zinc/19/98/76/553199876.db2.gz VKJCKAXNJLQDLR-UHFFFAOYSA-N 0 0 513.994 5.926 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009015304 553200415 /nfs/dbraw/zinc/20/04/15/553200415.db2.gz DUMVRSVDMMBZJO-VWLOTQADSA-N 0 0 512.587 5.721 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009019001 553200759 /nfs/dbraw/zinc/20/07/59/553200759.db2.gz MHKQWMZHLPKYJF-ZOYWYXQUSA-N 0 0 522.645 6.954 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009019166 553200784 /nfs/dbraw/zinc/20/07/84/553200784.db2.gz AAEYFBBGHJDNBK-GDLZYMKVSA-N 0 0 529.633 6.437 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009042987 553202898 /nfs/dbraw/zinc/20/28/98/553202898.db2.gz SVQZMNGXLYOHDQ-WHLCRQNOSA-N 0 0 501.970 6.559 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009045209 553203269 /nfs/dbraw/zinc/20/32/69/553203269.db2.gz WXZIEGGHBOGRIU-OAQYLSRUSA-N 0 0 522.598 5.848 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1 ZINC000009066419 553206119 /nfs/dbraw/zinc/20/61/19/553206119.db2.gz ALZLPORSIQMYEV-WQRHYEAKSA-N 0 0 505.523 5.303 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009071443 553207118 /nfs/dbraw/zinc/20/71/18/553207118.db2.gz XOQODQCTXPSPKB-JOCHJYFZSA-N 0 0 500.382 5.257 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009085901 553208081 /nfs/dbraw/zinc/20/80/81/553208081.db2.gz UFCVTXCEJFEMJV-JOCHJYFZSA-N 0 0 506.352 5.409 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009086149 553208317 /nfs/dbraw/zinc/20/83/17/553208317.db2.gz BPFKNOXVJLGZAP-AREMUKBSSA-N 0 0 502.567 5.060 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000009113358 553210782 /nfs/dbraw/zinc/21/07/82/553210782.db2.gz APYFMZFICPNNQH-RUZDIDTESA-N 0 0 510.030 5.834 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009122861 553212119 /nfs/dbraw/zinc/21/21/19/553212119.db2.gz TVVKJSGPONRBEQ-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000009123638 553212266 /nfs/dbraw/zinc/21/22/66/553212266.db2.gz UGTLIYMAZLBZKY-HSZRJFAPSA-N 0 0 516.432 5.407 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009123685 553212523 /nfs/dbraw/zinc/21/25/23/553212523.db2.gz WXZIEGGHBOGRIU-NRFANRHFSA-N 0 0 522.598 5.848 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124402 553212920 /nfs/dbraw/zinc/21/29/20/553212920.db2.gz NCJOJARWCHXDDD-BSEYFRJRSA-N 0 0 516.550 5.550 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(COc4ccc5ccccc5c4)nc3c1[C@H]2c1ccccc1 ZINC000009159696 553215278 /nfs/dbraw/zinc/21/52/78/553215278.db2.gz ZNQDSMSOGJVCOH-SANMLTNESA-N 0 0 502.574 6.024 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(COc4ccc5ccccc5c4)nc3c1[C@@H]2c1ccccc1 ZINC000009159697 553215312 /nfs/dbraw/zinc/21/53/12/553215312.db2.gz ZNQDSMSOGJVCOH-AREMUKBSSA-N 0 0 502.574 6.024 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009160925 553215596 /nfs/dbraw/zinc/21/55/96/553215596.db2.gz SAQFFNVKMSYHBU-AREMUKBSSA-N 0 0 502.567 5.056 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000009176517 553216444 /nfs/dbraw/zinc/21/64/44/553216444.db2.gz NWQIHAFITVJCBY-MUUNZHRXSA-N 0 0 508.549 5.887 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000009183515 553216882 /nfs/dbraw/zinc/21/68/82/553216882.db2.gz IRWSKKDAZGPEEN-WBBHLRKXSA-N 0 0 505.017 7.554 50 30 KKEARN Clc1ccccc1/C=N/OCc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 ZINC000009185496 553217226 /nfs/dbraw/zinc/21/72/26/553217226.db2.gz LLYPXTDJSQTQOH-RETWFDOMSA-N 0 0 517.976 6.768 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185738 553217346 /nfs/dbraw/zinc/21/73/46/553217346.db2.gz NLCVIKLSWYQEMI-XMMPIXPASA-N 0 0 519.022 6.694 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009185694 553217424 /nfs/dbraw/zinc/21/74/24/553217424.db2.gz UCBWVWKBSFADOJ-VWLOTQADSA-N 0 0 514.622 7.078 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009186636 553217695 /nfs/dbraw/zinc/21/76/95/553217695.db2.gz LJFWCZFZYKLTAS-QHCPKHFHSA-N 0 0 504.564 5.615 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccnc3)C4=O)c2c1 ZINC000009193112 553218943 /nfs/dbraw/zinc/21/89/43/553218943.db2.gz YPFORKYCTDDKBG-DICXZTSXSA-N 0 0 503.510 6.729 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1 ZINC000009233245 553224220 /nfs/dbraw/zinc/22/42/20/553224220.db2.gz YPBSFVLXOAKXBR-DEOSSOPVSA-N 0 0 502.567 6.234 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000009233764 553224581 /nfs/dbraw/zinc/22/45/81/553224581.db2.gz ALYUYYKIQOZLFI-YKGWIAGDSA-N 0 0 512.606 6.547 50 30 biogenic KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009240172 553226064 /nfs/dbraw/zinc/22/60/64/553226064.db2.gz VEFVYKHFALPGBG-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009244317 553227090 /nfs/dbraw/zinc/22/70/90/553227090.db2.gz KMDGGLDZOZWADX-RUZDIDTESA-N 0 0 514.603 6.049 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000009246272 553227309 /nfs/dbraw/zinc/22/73/09/553227309.db2.gz VSDAHFVVICLRCL-ZTOMLWHTSA-N 0 0 519.638 5.807 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000009246319 553227316 /nfs/dbraw/zinc/22/73/16/553227316.db2.gz VSDAHFVVICLRCL-KPURRNSFSA-N 0 0 519.638 5.807 50 30 KKEARN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000009261303 553228324 /nfs/dbraw/zinc/22/83/24/553228324.db2.gz DLDXLZULGOILEK-UHFFFAOYSA-N 0 0 507.641 5.214 50 30 KKEARN Cc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009264225 553228668 /nfs/dbraw/zinc/22/86/68/553228668.db2.gz DTELUVMJNCSDBY-SMSORMJASA-N 0 0 509.005 7.456 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000009264301 553228814 /nfs/dbraw/zinc/22/88/14/553228814.db2.gz OCEUFAHDPQBDNG-IIMAJNMQSA-N 0 0 505.574 6.894 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264337 553229061 /nfs/dbraw/zinc/22/90/61/553229061.db2.gz INDBITLVUBZOOY-KEEVHDRGSA-N 0 0 505.574 6.894 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(C)cc1 ZINC000009264340 553229113 /nfs/dbraw/zinc/22/91/13/553229113.db2.gz CWWQEVCDBWGAEL-BGOLNKOXSA-N 0 0 519.601 7.203 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NCc1ccco1 ZINC000009264342 553229128 /nfs/dbraw/zinc/22/91/28/553229128.db2.gz YRAUWFPXWWNXML-ADXZGYQBSA-N 0 0 509.562 6.165 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NCc1ccco1 ZINC000009264343 553229134 /nfs/dbraw/zinc/22/91/34/553229134.db2.gz YRAUWFPXWWNXML-SLQAJWMNSA-N 0 0 509.562 6.165 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(C)cc1 ZINC000009264338 553229142 /nfs/dbraw/zinc/22/91/42/553229142.db2.gz CWWQEVCDBWGAEL-UKPGIYTDSA-N 0 0 519.601 7.203 50 30 KKEARN Cc1cccc(C)c1-n1ncc(C(=O)Nc2ccc(CC#N)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009264712 553229530 /nfs/dbraw/zinc/22/95/30/553229530.db2.gz YOPLFNBTRBPACX-UHFFFAOYSA-N 0 0 513.642 5.922 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000009271250 553230643 /nfs/dbraw/zinc/23/06/43/553230643.db2.gz CZIASHKWKAHJJA-HSZRJFAPSA-N 0 0 504.995 6.358 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271454 553231033 /nfs/dbraw/zinc/23/10/33/553231033.db2.gz SONZRYPHLNXFCZ-HSZRJFAPSA-N 0 0 516.550 5.622 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009272004 553231510 /nfs/dbraw/zinc/23/15/10/553231510.db2.gz FCXJKGMFJYOXCS-HHHXNRCGSA-N 0 0 500.595 5.602 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000009271965 553231531 /nfs/dbraw/zinc/23/15/31/553231531.db2.gz XWPZPWMCWLMSHF-GOXGLGGOSA-N 0 0 506.646 7.093 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3cccnc3)C2)cc1 ZINC000009273070 553231936 /nfs/dbraw/zinc/23/19/36/553231936.db2.gz MBCOPNVYBJMEDN-QJJQMBRDSA-N 0 0 511.625 7.004 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009273052 553231944 /nfs/dbraw/zinc/23/19/44/553231944.db2.gz AHEMWIXKWGLZNO-QYBDOPJKSA-N 0 0 510.487 6.297 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000009272984 553232023 /nfs/dbraw/zinc/23/20/23/553232023.db2.gz CTLOJJBRZIUMOG-RUZDIDTESA-N 0 0 525.432 6.510 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009275782 553232792 /nfs/dbraw/zinc/23/27/92/553232792.db2.gz IUJMTRCEGZFAOL-RUZDIDTESA-N 0 0 516.594 6.740 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000009280135 553232826 /nfs/dbraw/zinc/23/28/26/553232826.db2.gz SRRBUSGIVCPCQF-DEOSSOPVSA-N 0 0 521.411 5.718 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292222 553234846 /nfs/dbraw/zinc/23/48/46/553234846.db2.gz IXMSPMNVOYHCLU-IZHWHUGBSA-N 0 0 516.619 5.884 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292527 553235100 /nfs/dbraw/zinc/23/51/00/553235100.db2.gz ADUXSDFHCMJVAK-OWJWWREXSA-N 0 0 517.006 6.364 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1 ZINC000009303989 553236649 /nfs/dbraw/zinc/23/66/49/553236649.db2.gz MKVLVPIKJKBWQG-UFMRRADMSA-N 0 0 507.550 5.374 50 30 KKEARN COc1ccc(/C=N/N=C/c2ccc(OC)c(CSc3ccccn3)c2)cc1CSc1ccccn1 ZINC000009310919 553239273 /nfs/dbraw/zinc/23/92/73/553239273.db2.gz UBLUQULHDWTJFU-LTTYKRRRSA-N 0 0 514.676 6.531 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009311192 553239494 /nfs/dbraw/zinc/23/94/94/553239494.db2.gz PGHJNDYSGXWXCA-MYYYXRDXSA-N 0 0 503.580 6.081 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009311877 553239918 /nfs/dbraw/zinc/23/99/18/553239918.db2.gz XYKMRLJUXLLMPD-PBBNMVCDSA-N 0 0 511.618 6.358 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009312243 553240114 /nfs/dbraw/zinc/24/01/14/553240114.db2.gz KRMAJLDWXIILEM-SMSORMJASA-N 0 0 525.645 6.256 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009312456 553240236 /nfs/dbraw/zinc/24/02/36/553240236.db2.gz DUXFRUFYODTBKZ-UZTOHYMASA-N 0 0 523.626 5.202 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009312972 553240724 /nfs/dbraw/zinc/24/07/24/553240724.db2.gz VYKSZWKWPOMFBK-CRICUBBOSA-N 0 0 518.407 5.594 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009312968 553240726 /nfs/dbraw/zinc/24/07/26/553240726.db2.gz RZBNNVBQYPHSMS-CLYVBNDRSA-N 0 0 517.578 5.569 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009318993 553241353 /nfs/dbraw/zinc/24/13/53/553241353.db2.gz CWGLHFVUPUMWRC-PRAQEBQASA-N 0 0 527.577 5.923 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320604 553241533 /nfs/dbraw/zinc/24/15/33/553241533.db2.gz QUWMGZQZBWJWNL-BSEYFRJRSA-N 0 0 516.550 5.550 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320603 553241566 /nfs/dbraw/zinc/24/15/66/553241566.db2.gz QUWMGZQZBWJWNL-SHACYNPGSA-N 0 0 516.550 5.550 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009328952 553242231 /nfs/dbraw/zinc/24/22/31/553242231.db2.gz WCSFUJRSXGWBGX-PIKZIKFNSA-N 0 0 529.637 5.444 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009329405 553242288 /nfs/dbraw/zinc/24/22/88/553242288.db2.gz HBPRYKZHZFHSIL-MYUZEXMDSA-N 0 0 524.642 6.834 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000009334194 553243058 /nfs/dbraw/zinc/24/30/58/553243058.db2.gz QFTXLRGTPGDWAW-JCOAXYOVSA-N 0 0 512.606 6.023 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009353605 553245575 /nfs/dbraw/zinc/24/55/75/553245575.db2.gz OPRBUZSDBFDUJD-DEOSSOPVSA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009353920 553245644 /nfs/dbraw/zinc/24/56/44/553245644.db2.gz LTVUYMQMGPUMTA-VKGTZQKMSA-N 0 0 513.590 5.586 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009353972 553245799 /nfs/dbraw/zinc/24/57/99/553245799.db2.gz CQTBWVBAGCULNB-UPCLLVRISA-N 0 0 504.380 5.551 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009354358 553245995 /nfs/dbraw/zinc/24/59/95/553245995.db2.gz RSBVPKHOVNRWSP-ACSYHNTCSA-N 0 0 525.601 5.752 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009357194 553246814 /nfs/dbraw/zinc/24/68/14/553246814.db2.gz BTXFQYRDPZXLFI-WXTAPIANSA-N 0 0 510.615 6.328 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000009357960 553247237 /nfs/dbraw/zinc/24/72/37/553247237.db2.gz VDNPRBBEBHMMNR-IQMFZBJNSA-N 0 0 502.617 6.081 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357983 553247240 /nfs/dbraw/zinc/24/72/40/553247240.db2.gz SQCDCXLICBCWAH-YKGWIAGDSA-N 0 0 525.645 6.400 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009358332 553247506 /nfs/dbraw/zinc/24/75/06/553247506.db2.gz ZBLRMABUUDOSHR-MHZLTWQESA-N 0 0 500.595 5.602 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000009360782 553248686 /nfs/dbraw/zinc/24/86/86/553248686.db2.gz MWIQGVQEHVBBCS-DQHMDIJASA-N 0 0 522.026 5.677 50 30 KKEARN C=CCn1c(Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)nnc1-c1ccc(Cl)cc1 ZINC000009363528 553248857 /nfs/dbraw/zinc/24/88/57/553248857.db2.gz BFNIJLGTTWOPTP-UHFFFAOYSA-N 0 0 513.030 6.608 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009373768 553250477 /nfs/dbraw/zinc/25/04/77/553250477.db2.gz HBPRYKZHZFHSIL-CLYVBNDRSA-N 0 0 524.642 6.834 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374777 553250919 /nfs/dbraw/zinc/25/09/19/553250919.db2.gz DHHOLAKJHAMZFD-LMKMVOKYSA-N 0 0 514.578 6.159 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(OC)c3)C2)cc1 ZINC000009379659 553251352 /nfs/dbraw/zinc/25/13/52/553251352.db2.gz RHSNZRUMYUYBEK-XHCCPWGMSA-N 0 0 522.523 6.167 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000009380740 553251919 /nfs/dbraw/zinc/25/19/19/553251919.db2.gz FSHLKZFRDMHFKR-RUZDIDTESA-N 0 0 500.561 6.961 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2ccco2)cc1 ZINC000009380741 553251921 /nfs/dbraw/zinc/25/19/21/553251921.db2.gz AIVMBCMRMFQMRC-FPVKQXLYSA-N 0 0 500.598 7.202 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009403553 553255443 /nfs/dbraw/zinc/25/54/43/553255443.db2.gz WKVXBMVLYYIAKU-DNOBIOAJSA-N 0 0 515.562 5.345 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009414119 553258126 /nfs/dbraw/zinc/25/81/26/553258126.db2.gz ASLVZURQKFEGQK-LFVRLGFBSA-N 0 0 502.979 6.056 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009424525 553258662 /nfs/dbraw/zinc/25/86/62/553258662.db2.gz GHOYJSWFXONKHZ-NDEPHWFRSA-N 0 0 525.557 5.660 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009424345 553258689 /nfs/dbraw/zinc/25/86/89/553258689.db2.gz ZDTSWUAWXDCQMQ-YKGWIAGDSA-N 0 0 509.606 6.813 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000009424588 553258730 /nfs/dbraw/zinc/25/87/30/553258730.db2.gz CGPXLVJCYHJAKU-MUUNZHRXSA-N 0 0 523.541 5.408 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009425019 553259064 /nfs/dbraw/zinc/25/90/64/553259064.db2.gz AGQRDVQUNRJIQQ-GDLZYMKVSA-N 0 0 527.617 5.704 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009425144 553259307 /nfs/dbraw/zinc/25/93/07/553259307.db2.gz SDVNMBVHLMZKSR-MUUNZHRXSA-N 0 0 531.605 5.206 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009425277 553259311 /nfs/dbraw/zinc/25/93/11/553259311.db2.gz ZDTSWUAWXDCQMQ-RCRUUEGKSA-N 0 0 509.606 6.813 50 30 KKEARN CC(C)(C)c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc(C(C)(C)C)c1O ZINC000009425291 553259327 /nfs/dbraw/zinc/25/93/27/553259327.db2.gz XNDBWXFDQLTAQL-PRAQEBQASA-N 0 0 512.669 8.106 50 30 KKEARN COc1cc(Br)c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1OC ZINC000009425438 553259563 /nfs/dbraw/zinc/25/95/63/553259563.db2.gz VKNBYYIMFJETCF-PRGMTJJQSA-N 0 0 519.436 6.542 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009451975 553265978 /nfs/dbraw/zinc/26/59/78/553265978.db2.gz XZJUZLTUJQZCLF-WGDIFIGCSA-N 0 0 503.551 5.179 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccco1 ZINC000009452047 553266101 /nfs/dbraw/zinc/26/61/01/553266101.db2.gz JSUPHSLJZOSFQO-JPQMRUPTSA-N 0 0 510.678 8.058 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009454282 553266272 /nfs/dbraw/zinc/26/62/72/553266272.db2.gz IPKJEWQIWHBGJY-AFJIDDCJSA-N 0 0 521.569 5.961 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009460779 553266874 /nfs/dbraw/zinc/26/68/74/553266874.db2.gz FLARKAAZCBFKGI-AYWGPLOBSA-N 0 0 505.442 5.544 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009461052 553267163 /nfs/dbraw/zinc/26/71/63/553267163.db2.gz POXVOYCOMIKDFQ-NDEPHWFRSA-N 0 0 513.634 6.096 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009461063 553267181 /nfs/dbraw/zinc/26/71/81/553267181.db2.gz FJNBUUKUKWDOLS-LJAQVGFWSA-N 0 0 520.585 5.756 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009461116 553267375 /nfs/dbraw/zinc/26/73/75/553267375.db2.gz GBXPMJKJJCVMOE-NDEPHWFRSA-N 0 0 515.606 5.588 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461137 553267381 /nfs/dbraw/zinc/26/73/81/553267381.db2.gz MBTGKXNYDGMYIW-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000009461259 553267605 /nfs/dbraw/zinc/26/76/05/553267605.db2.gz QANLBLQGXKTKIV-HSZRJFAPSA-N 0 0 516.575 5.413 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C(C)(C)C)[C@H]1c1ccc(Br)cc1 ZINC000009462389 553268278 /nfs/dbraw/zinc/26/82/78/553268278.db2.gz JPGIDCWZSUFWRB-NBCVKUGOSA-N 0 0 507.428 5.505 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009464823 553269328 /nfs/dbraw/zinc/26/93/28/553269328.db2.gz KEFQSGHBHPCFTH-PPHZAIPVSA-N 0 0 501.579 5.951 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009471159 553269771 /nfs/dbraw/zinc/26/97/71/553269771.db2.gz WWCFLFGELILSNY-PIIWDFAUSA-N 0 0 512.606 5.608 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000009471415 553269965 /nfs/dbraw/zinc/26/99/65/553269965.db2.gz IEDQHOCFQZIYEV-DEOSSOPVSA-N 0 0 520.379 5.041 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000009483082 553272623 /nfs/dbraw/zinc/27/26/23/553272623.db2.gz QYGMUHUSECCEFF-GDLZYMKVSA-N 0 0 500.042 6.273 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009497506 553274710 /nfs/dbraw/zinc/27/47/10/553274710.db2.gz QKBVZLPNQMEZPQ-UHFFFAOYSA-N 0 0 508.997 6.832 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009507824 553275964 /nfs/dbraw/zinc/27/59/64/553275964.db2.gz KVWVFLACVYFKSI-NDEPHWFRSA-N 0 0 525.557 5.660 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009507609 553276029 /nfs/dbraw/zinc/27/60/29/553276029.db2.gz YPAFITXVMCRNOV-MUUNZHRXSA-N 0 0 515.606 5.588 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000009554158 553278853 /nfs/dbraw/zinc/27/88/53/553278853.db2.gz KGYNGDXWAJYGKD-WBBHLRKXSA-N 0 0 515.569 6.805 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1OCC ZINC000009556652 553279078 /nfs/dbraw/zinc/27/90/78/553279078.db2.gz DPVVJZFECVCTBL-JOCHJYFZSA-N 0 0 503.580 5.481 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(C)c4)nn32)cc1Br ZINC000009597371 553283745 /nfs/dbraw/zinc/28/37/45/553283745.db2.gz LJNTYGKYLNUUPK-JOCHJYFZSA-N 0 0 511.445 5.672 50 30 KKEARN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000009597969 553284163 /nfs/dbraw/zinc/28/41/63/553284163.db2.gz WFFYXRGMFJEFFY-ZDUSSCGKSA-N 0 0 508.442 5.365 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(C)cc2)cc1OC ZINC000009598288 553284303 /nfs/dbraw/zinc/28/43/03/553284303.db2.gz UBTLGXDPHRRRRM-WBBHLRKXSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000009598271 553284324 /nfs/dbraw/zinc/28/43/24/553284324.db2.gz FFSXREKSPBGFPX-WRGVRERRSA-N 0 0 528.605 5.614 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccs2)cc1OC ZINC000009598289 553284348 /nfs/dbraw/zinc/28/43/48/553284348.db2.gz NWFJWXGQZMBDHV-ACSYHNTCSA-N 0 0 514.647 6.074 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)o2)cc1 ZINC000009598340 553284502 /nfs/dbraw/zinc/28/45/02/553284502.db2.gz OXEVCTJTKMBJSG-PRAQEBQASA-N 0 0 528.605 5.614 50 30 KKEARN COc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009601768 553287020 /nfs/dbraw/zinc/28/70/20/553287020.db2.gz ADSSJJCETHAQDM-JMQGSBJISA-N 0 0 514.578 5.616 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608832 553287749 /nfs/dbraw/zinc/28/77/49/553287749.db2.gz UZDXLGXFIMXVNQ-QHCPKHFHSA-N 0 0 517.651 5.588 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000009614546 553290044 /nfs/dbraw/zinc/29/00/44/553290044.db2.gz IWQAWTPXQOOYKZ-RBUXCVQISA-N 0 0 518.451 6.288 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccccc3)S/C2=N\c2ccccc2F)cc1OC ZINC000009704334 553300495 /nfs/dbraw/zinc/30/04/95/553300495.db2.gz PSNHNKSILFGKLJ-FJOMVMCCSA-N 0 0 507.587 5.046 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000009731134 553302482 /nfs/dbraw/zinc/30/24/82/553302482.db2.gz FCZADYOVHFVDBN-DEOSSOPVSA-N 0 0 505.003 5.408 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775645 553304437 /nfs/dbraw/zinc/30/44/37/553304437.db2.gz MARJFZSZUCATDY-UHFFFAOYSA-N 0 0 501.598 6.503 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775655 553304468 /nfs/dbraw/zinc/30/44/68/553304468.db2.gz VMTYUFDWWCJIPA-UHFFFAOYSA-N 0 0 518.053 7.017 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1 ZINC000009777468 553306747 /nfs/dbraw/zinc/30/67/47/553306747.db2.gz PCLUCGZOGNCMQO-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)c(Cl)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000009777477 553306766 /nfs/dbraw/zinc/30/67/66/553306766.db2.gz UCJQRZHJEDTIAH-UHFFFAOYSA-N 0 0 500.491 7.945 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000009783050 553308204 /nfs/dbraw/zinc/30/82/04/553308204.db2.gz MWSRYWLQURSAFT-MGBGTMOVSA-N 0 0 521.632 8.266 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000009805261 553308315 /nfs/dbraw/zinc/30/83/15/553308315.db2.gz CWRDDYDBLJWQQK-QPHCHLROSA-N 0 0 530.621 6.099 50 30 KKEARN CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009846444 553311827 /nfs/dbraw/zinc/31/18/27/553311827.db2.gz HAPBUHUVSPRCDB-MGJSCZKCSA-N 0 0 510.752 6.256 50 30 KKEARN O=C(Oc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1)c1ccc([N+](=O)[O-])cc1 ZINC000009849842 553312402 /nfs/dbraw/zinc/31/24/02/553312402.db2.gz DJPCTDNXHIIIMO-NDEPHWFRSA-N 0 0 506.539 6.681 50 30 KKEARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009850528 553312862 /nfs/dbraw/zinc/31/28/62/553312862.db2.gz FXELFBZUTZWDLO-WNMDNWPKSA-N 0 0 510.015 5.518 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009861164 553314146 /nfs/dbraw/zinc/31/41/46/553314146.db2.gz KAKBDBKTLYNWAH-SANMLTNESA-N 0 0 514.695 6.385 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000009934350 553317884 /nfs/dbraw/zinc/31/78/84/553317884.db2.gz LRZCVOJQSGBSRK-IANOAQMISA-N 0 0 524.661 7.185 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009983209 553323411 /nfs/dbraw/zinc/32/34/11/553323411.db2.gz ZVHIJYWMACXCML-AFMDSPMNSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982807 553323445 /nfs/dbraw/zinc/32/34/45/553323445.db2.gz AYEVZBSKBOIINL-KBMIEXCESA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009985172 553323574 /nfs/dbraw/zinc/32/35/74/553323574.db2.gz SFSASJUSQJUBDK-FNZWTVRRSA-N 0 0 515.704 6.482 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009984736 553323637 /nfs/dbraw/zinc/32/36/37/553323637.db2.gz NLHVFWBISXKVCH-FQRUVTKNSA-N 0 0 515.704 6.482 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994302 553324671 /nfs/dbraw/zinc/32/46/71/553324671.db2.gz UCQATHMPIFSABC-NDEPHWFRSA-N 0 0 534.697 5.382 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009994385 553324880 /nfs/dbraw/zinc/32/48/80/553324880.db2.gz JHIDMGIIUODBRK-XMMPIXPASA-N 0 0 521.411 5.720 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009994386 553324943 /nfs/dbraw/zinc/32/49/43/553324943.db2.gz JHIDMGIIUODBRK-DEOSSOPVSA-N 0 0 521.411 5.720 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000010007705 553325487 /nfs/dbraw/zinc/32/54/87/553325487.db2.gz FIZMNUCSKDOFNO-DNOBIOAJSA-N 0 0 515.631 6.010 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCC ZINC000010013409 553326071 /nfs/dbraw/zinc/32/60/71/553326071.db2.gz WPIHLXNCOAXZCB-UHFFFAOYSA-N 0 0 502.636 6.115 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OCC)c4o3)cs2)cc1 ZINC000010749845 553338214 /nfs/dbraw/zinc/33/82/14/553338214.db2.gz QPDKYFJPYWZCHL-UHFFFAOYSA-N 0 0 523.636 5.570 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 ZINC000011852358 553344771 /nfs/dbraw/zinc/34/47/71/553344771.db2.gz ZIYQSFVDLSWANJ-UHFFFAOYSA-N 0 0 565.458 5.030 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 ZINC000011852360 553344830 /nfs/dbraw/zinc/34/48/30/553344830.db2.gz YKZKEWPQKSMYPL-UHFFFAOYSA-N 0 0 514.481 5.793 50 30 KKEARN CCOC(=O)C(/C=N/c1nc(-c2ccccc2)c(C(=O)Nc2cccc(C(F)(F)F)c2)s1)C(=O)OCC ZINC000011852397 553345008 /nfs/dbraw/zinc/34/50/08/553345008.db2.gz TWXDMWZQGJCZSQ-IPPBACCNSA-N 0 0 533.528 5.526 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3OC)C4=O)c2c1 ZINC000011869019 553348215 /nfs/dbraw/zinc/34/82/15/553348215.db2.gz LJIWKVWGGGSNHT-RHANQZHGSA-N 0 0 532.548 7.343 50 30 biogenic KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(OC)cc3)C4=O)c2c1 ZINC000011868805 553348221 /nfs/dbraw/zinc/34/82/21/553348221.db2.gz LKCOYJCOALQDBT-RHANQZHGSA-N 0 0 532.548 7.343 50 30 biogenic KKEARN CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)ccc3OC)C4=O)c2c1 ZINC000011868926 553348252 /nfs/dbraw/zinc/34/82/52/553348252.db2.gz HYYGLRUJOIBSGG-ZMFRSBBQSA-N 0 0 500.503 5.993 50 30 biogenic KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012193730 553353860 /nfs/dbraw/zinc/35/38/60/553353860.db2.gz QVJOSDXDTMPICI-IXCJQBJRSA-N 0 0 519.439 7.043 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000012193728 553353899 /nfs/dbraw/zinc/35/38/99/553353899.db2.gz QVJOSDXDTMPICI-IAPPQJPRSA-N 0 0 519.439 7.043 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349663 553359087 /nfs/dbraw/zinc/35/90/87/553359087.db2.gz VFPRBDBGADWPHQ-KEEVHDRGSA-N 0 0 509.627 7.516 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000012349745 553359092 /nfs/dbraw/zinc/35/90/92/553359092.db2.gz AFPJFLLLSDPMLH-BWAHOGKJSA-N 0 0 508.064 6.932 50 30 KKEARN CC(=NNc1ccc(Cl)cc1)c1cn(N(C)c2ncc(C(F)(F)F)cc2Cl)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000012350378 553359109 /nfs/dbraw/zinc/35/91/09/553359109.db2.gz AZYNTODJZHXYMQ-PUHLOBNQSA-N 0 0 595.384 5.654 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349658 553359117 /nfs/dbraw/zinc/35/91/17/553359117.db2.gz VFPRBDBGADWPHQ-WENCNXQZSA-N 0 0 509.627 7.516 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349667 553359120 /nfs/dbraw/zinc/35/91/20/553359120.db2.gz VFPRBDBGADWPHQ-PRAQEBQASA-N 0 0 509.627 7.516 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349682 553359125 /nfs/dbraw/zinc/35/91/25/553359125.db2.gz QXDHAUGNBWOYKZ-UVDDSOTQSA-N 0 0 523.654 7.303 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000012402700 553362907 /nfs/dbraw/zinc/36/29/07/553362907.db2.gz FUITXBRHYPMTKH-HHHXNRCGSA-N 0 0 510.487 5.098 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411758 553363760 /nfs/dbraw/zinc/36/37/60/553363760.db2.gz HJLYAAVAPLNEFT-WINIVTDRSA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000012413027 553364118 /nfs/dbraw/zinc/36/41/18/553364118.db2.gz IQNWHCQMGNISTN-BERHBOFZSA-N 0 0 519.594 5.606 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000012416281 553364852 /nfs/dbraw/zinc/36/48/52/553364852.db2.gz VEMVMQGEMHQTFH-MYUZEXMDSA-N 0 0 500.620 5.766 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000012437220 553366436 /nfs/dbraw/zinc/36/64/36/553366436.db2.gz YGHNUHDILJNXNO-ALQBTCKLSA-N 0 0 519.561 6.163 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(I)c2)cc1 ZINC000012447694 553366857 /nfs/dbraw/zinc/36/68/57/553366857.db2.gz FDJSVMASZXIKMK-SIBVEZHUSA-N 0 0 506.387 6.579 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000012470041 553368214 /nfs/dbraw/zinc/36/82/14/553368214.db2.gz HKKDHEFOFWRKJL-WEBDSESRSA-N 0 0 517.607 5.201 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2NC(=O)NC(C)(C)c2cccc(C(=C)C)c2)c1 ZINC000012562964 553395193 /nfs/dbraw/zinc/39/51/93/553395193.db2.gz VYKTWBLNTQIMDS-NSOVKSMOSA-N 0 0 516.730 6.833 50 30 KKEARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000012569695 553398033 /nfs/dbraw/zinc/39/80/33/553398033.db2.gz SZETYZLEFVEYPR-LJQANCHMSA-N 0 0 503.027 5.526 50 30 KKEARN Cc1ccsc1[C@@H]1c2c(C)nn(-c3cc(C(F)(F)F)ccc3Cl)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000012583685 553399491 /nfs/dbraw/zinc/39/94/91/553399491.db2.gz DAXWIKGNPGHCBC-OAQYLSRUSA-N 0 0 505.993 7.423 50 30 KKEARN Cc1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@H](C)C4)c(C#N)c1C ZINC000012625156 553404889 /nfs/dbraw/zinc/40/48/89/553404889.db2.gz WDDJDXYURHRWKN-AWEZNQCLSA-N 0 0 520.705 5.853 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000012628215 553404953 /nfs/dbraw/zinc/40/49/53/553404953.db2.gz JWAGADCIGFKKRQ-FJOMVMCCSA-N 0 0 508.043 5.860 50 30 KKEARN CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1C#N ZINC000012628102 553404958 /nfs/dbraw/zinc/40/49/58/553404958.db2.gz BFVVGAIGKPVVOC-JLPGSUDCSA-N 0 0 500.396 6.486 50 30 KKEARN O=C(C1CCCCC1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652268 553409709 /nfs/dbraw/zinc/40/97/09/553409709.db2.gz HVSKWFHAESDUSP-KCWXNJEJSA-N 0 0 501.026 7.414 50 30 KKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652323 553409760 /nfs/dbraw/zinc/40/97/60/553409760.db2.gz VYTDSNHQXABWSQ-GDJIYFAZSA-N 0 0 513.981 6.810 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000012652406 553409996 /nfs/dbraw/zinc/40/99/96/553409996.db2.gz DFCSYOZGSFJHOZ-JCOAXYOVSA-N 0 0 520.585 6.511 50 30 KKEARN N#Cc1cc(C(=O)c2ccc(Br)cc2)[nH]c1Sc1ccccc1C(=O)NCc1ccccc1 ZINC000012788677 553420756 /nfs/dbraw/zinc/42/07/56/553420756.db2.gz WMVPBWDLRPMZFS-UHFFFAOYSA-N 0 0 516.420 5.961 50 30 KKEARN Cc1c(/C(=N/OC(=O)c2ccc(Cl)cc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012953517 553428951 /nfs/dbraw/zinc/42/89/51/553428951.db2.gz MQWVCAGTCPWZDX-IVQJCJPDSA-N 0 0 578.971 6.772 50 30 KKEARN Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\OCc1cccc(C(F)(F)F)c1 ZINC000012953751 553429199 /nfs/dbraw/zinc/42/91/99/553429199.db2.gz BDCGCEKRHYMOKC-SJIPCVTESA-N 0 0 565.038 7.186 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2ccc(F)cc2F)=C3Sc2ccc(C)cc2)cc1 ZINC000012955103 553429372 /nfs/dbraw/zinc/42/93/72/553429372.db2.gz OLDDNXAANWBFPF-NNLKUIAGSA-N 0 0 562.685 9.592 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012956974 553429764 /nfs/dbraw/zinc/42/97/64/553429764.db2.gz SMLKVFIKVNXFSR-PONZDJLKSA-N 0 0 592.323 7.427 50 30 KKEARN O=C(NC=NOCc1c(Cl)cccc1Cl)[C@@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000012956115 553429788 /nfs/dbraw/zinc/42/97/88/553429788.db2.gz AKHARZHFYUMOSQ-IBGZPJMESA-N 0 0 551.179 7.122 50 30 KKEARN O=C(NC=NOCc1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961381 553431010 /nfs/dbraw/zinc/43/10/10/553431010.db2.gz QUPGPJAPUSCWEX-OAQYLSRUSA-N 0 0 533.337 6.364 50 30 KKEARN O=C(NC=NOCc1cccc(C(F)(F)F)c1)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961392 553431061 /nfs/dbraw/zinc/43/10/61/553431061.db2.gz MLMSPPVLHAXQBZ-OAQYLSRUSA-N 0 0 566.889 6.729 50 30 KKEARN O=C(NC=NOCc1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012961388 553431067 /nfs/dbraw/zinc/43/10/67/553431067.db2.gz QUPGPJAPUSCWEX-NRFANRHFSA-N 0 0 533.337 6.364 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)nnc1-c1ccccc1 ZINC000013129134 553450322 /nfs/dbraw/zinc/45/03/22/553450322.db2.gz MLTRGQCEYMXFLS-UHFFFAOYSA-N 0 0 507.457 6.276 50 30 KKEARN Cc1c(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000013139112 553454043 /nfs/dbraw/zinc/45/40/43/553454043.db2.gz JUGXUYDDFBGHJH-SJKPHHSNSA-N 0 0 511.625 7.131 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(C)cc3C)c3ccccc32)cc1 ZINC000013144083 553454489 /nfs/dbraw/zinc/45/44/89/553454489.db2.gz FIYUVIPDEYPKFP-PBKAENSPSA-N 0 0 512.609 6.265 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(Br)cc2)c1 ZINC000013286050 553457514 /nfs/dbraw/zinc/45/75/14/553457514.db2.gz NECWWHDTIWFCHV-NPGCFZLRSA-N 0 0 508.466 6.936 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000013319888 553458446 /nfs/dbraw/zinc/45/84/46/553458446.db2.gz HBKVNGWKERJZKW-LJAQVGFWSA-N 0 0 509.606 5.584 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552744 553470921 /nfs/dbraw/zinc/47/09/21/553470921.db2.gz RXTPMPGAMCKMKM-QHCPKHFHSA-N 0 0 518.566 5.798 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000013570525 553473557 /nfs/dbraw/zinc/47/35/57/553473557.db2.gz LKNBXLFCLOYTMW-QHCPKHFHSA-N 0 0 506.426 6.096 50 30 KKEARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)c1 ZINC000013574789 553474680 /nfs/dbraw/zinc/47/46/80/553474680.db2.gz BTCKNYVSEOKERS-SDNWHVSQSA-N 0 0 511.628 6.764 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000013661593 553480933 /nfs/dbraw/zinc/48/09/33/553480933.db2.gz GDMJRGZXZSMIDF-IOYDYCAWSA-N 0 0 507.587 5.394 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Oc3ccccc3)cc1)sc1c2CCCC1 ZINC000013751876 553488048 /nfs/dbraw/zinc/48/80/48/553488048.db2.gz IVGGBACIQFVGPP-UHFFFAOYSA-N 0 0 503.649 6.046 50 30 KKEARN Cc1ccc(-n2c(=O)c3c(nc2N/N=C/c2ccc(Cl)cc2)-c2ccccc2CC32CCCCC2)cc1 ZINC000013764176 553488678 /nfs/dbraw/zinc/48/86/78/553488678.db2.gz REPYNUOAWVPJFC-FMFFXOCNSA-N 0 0 509.053 7.065 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1ccccc1)c1cccs1 ZINC000013776777 553489951 /nfs/dbraw/zinc/48/99/51/553489951.db2.gz IQYDLRDVVHFEIU-RUTNCJFZSA-N 0 0 503.587 6.566 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(OC)c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000013880890 553493832 /nfs/dbraw/zinc/49/38/32/553493832.db2.gz KEMJCSRTVSCGTN-XMVKSMNGSA-N 0 0 513.619 6.040 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1C#N ZINC000013880921 553493960 /nfs/dbraw/zinc/49/39/60/553493960.db2.gz OMDYVNNRYXEPPO-CFRMEGHHSA-N 0 0 501.520 5.291 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000013893206 553494290 /nfs/dbraw/zinc/49/42/90/553494290.db2.gz GPJHBWFOIFMUSH-URAOTHONSA-N 0 0 524.617 7.110 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3ccccc3)c(OC)c2)SC1=S ZINC000013940151 553496195 /nfs/dbraw/zinc/49/61/95/553496195.db2.gz ALXCPUULYYTTKO-RGEXLXHISA-N 0 0 506.443 5.303 50 30 KKEARN O=C(/C=C\c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1)c1ccccc1 ZINC000013957568 553497464 /nfs/dbraw/zinc/49/74/64/553497464.db2.gz KOLLJOJQYGFPGD-QINSGFPZSA-N 0 0 502.482 5.523 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)S2)cc1 ZINC000014008730 553499250 /nfs/dbraw/zinc/49/92/50/553499250.db2.gz KKGFYSADQLMXRW-WSDLNYQXSA-N 0 0 510.402 6.344 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)S2)cc1 ZINC000014008747 553499288 /nfs/dbraw/zinc/49/92/88/553499288.db2.gz YCEMVCAMXJOHOY-WYMPLXKRSA-N 0 0 508.430 6.897 50 30 KKEARN CCOc1ccccc1-c1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)n[nH]1 ZINC000014162117 553505587 /nfs/dbraw/zinc/50/55/87/553505587.db2.gz UJHBUSXCBYAHCG-MRXNPFEDSA-N 0 0 509.701 6.075 50 30 KKEARN O=C1/C(=C/c2ccccc2Br)CC(c2ccccc2)C/C1=C\c1ccccc1Br ZINC000014356480 553511934 /nfs/dbraw/zinc/51/19/34/553511934.db2.gz IXUPOUZLBBSNJC-HOFJZWJUSA-N 0 0 508.253 7.825 50 30 KKEARN N#CCCN(C(=O)COC(=O)CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2)c1ccccc1 ZINC000014360771 553514201 /nfs/dbraw/zinc/51/42/01/553514201.db2.gz KXUNLCBUTBWUKI-UHFFFAOYSA-N 0 0 506.583 5.633 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)C=Cc2ccc(Cl)cc2)n1 ZINC000014671551 553518938 /nfs/dbraw/zinc/51/89/38/553518938.db2.gz HESRTMSAWDVRDY-BJMVGYQFSA-N 0 0 507.425 5.722 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000014944031 553521705 /nfs/dbraw/zinc/52/17/05/553521705.db2.gz IQNWHCQMGNISTN-LOYIFYEOSA-N 0 0 519.594 5.606 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)S/C1=N\c1ccc(OC)cc1 ZINC000015009560 553525418 /nfs/dbraw/zinc/52/54/18/553525418.db2.gz FPWFFIOHBRLCHR-IWHAWPLNSA-N 0 0 504.011 6.423 50 30 KKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1OCc1ccccc1 ZINC000015009499 553525434 /nfs/dbraw/zinc/52/54/34/553525434.db2.gz UMUMBVODHWAYKK-BKUYFWCQSA-N 0 0 500.357 6.208 50 30 KKEARN CCCN(CCC)c1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000015015505 553525758 /nfs/dbraw/zinc/52/57/58/553525758.db2.gz BZHPIBMWOPCITI-IUKPPQJPSA-N 0 0 511.735 8.355 50 30 KKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000015079993 553527633 /nfs/dbraw/zinc/52/76/33/553527633.db2.gz DFVFJGJCWKJBRM-YDYNHKSESA-N 0 0 534.704 6.760 50 30 KKEARN COc1ccc(-c2oc(/N=C/c3ccccc3OCc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000015228904 553529711 /nfs/dbraw/zinc/52/97/11/553529711.db2.gz USTPAWFBZGHNEY-XICOUIIWSA-N 0 0 514.581 7.832 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000015545404 553533571 /nfs/dbraw/zinc/53/35/71/553533571.db2.gz PKLDZKOUOVSZKN-UHFFFAOYSA-N 0 0 508.644 5.367 50 30 KKEARN S=C1N(c2ccccc2Cl)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H](N2CCOCC2)C12CCCCC2 ZINC000015861793 553537907 /nfs/dbraw/zinc/53/79/07/553537907.db2.gz KWSBABLLSXHIIJ-KGKWKLTNSA-N 0 0 512.163 6.506 50 30 KKEARN Cc1c(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccccc2n1Cc1c(F)cccc1Cl ZINC000015863172 553538588 /nfs/dbraw/zinc/53/85/88/553538588.db2.gz MTBOLTICRYNXJB-UHFFFAOYSA-N 0 0 522.045 6.231 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2cc(Cl)ccc2Cl)SC1=S ZINC000015945534 553544036 /nfs/dbraw/zinc/54/40/36/553544036.db2.gz TUJBJCLIKYKMAK-ODLFYWEKSA-N 0 0 511.408 5.747 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1C)CC[C@@H](C(C)(C)C)C2 ZINC000015946461 553544436 /nfs/dbraw/zinc/54/44/36/553544436.db2.gz KEEKHWQXGUENHK-UHCIHMBKSA-N 0 0 520.695 7.236 50 30 KKEARN CCc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)c(OC)cc1OC)C[C@H](C(C)(C)C)CC2 ZINC000015946490 553544737 /nfs/dbraw/zinc/54/47/37/553544737.db2.gz CLCZZFUBPFUKFD-BSAWEUQCSA-N 0 0 534.722 7.490 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(Cl)c(Cl)c3Cl)cc2[N+](=O)[O-])cc1 ZINC000015979804 553548347 /nfs/dbraw/zinc/54/83/47/553548347.db2.gz QYLHHTKSUDKLQP-UUILKARUSA-N 0 0 504.797 8.541 50 30 KKEARN CSc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000016034432 553551801 /nfs/dbraw/zinc/55/18/01/553551801.db2.gz HYUURDHZLXYBMM-SOHPDCFESA-N 0 0 505.687 6.595 50 30 KKEARN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 ZINC000016513065 553566987 /nfs/dbraw/zinc/56/69/87/553566987.db2.gz XMCJZXBIEQEZNQ-VUTHCHCSSA-N 0 0 501.428 7.198 50 30 KKEARN CCCCSc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000016639419 553570781 /nfs/dbraw/zinc/57/07/81/553570781.db2.gz RJOBPKHPMKGJTP-PNOGMODKSA-N 0 0 519.114 6.479 50 30 KKEARN O=C(/C=C/c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1)c1ccccc1 ZINC000016667518 553571505 /nfs/dbraw/zinc/57/15/05/553571505.db2.gz KOLLJOJQYGFPGD-NTCAYCPXSA-N 0 0 502.482 5.523 50 30 KKEARN CCOc1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016689291 553573464 /nfs/dbraw/zinc/57/34/64/553573464.db2.gz ZSVHLNAJFJVGCN-OXUBWTJQSA-N 0 0 512.347 5.836 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016713774 553575340 /nfs/dbraw/zinc/57/53/40/553575340.db2.gz QZYJVRHQYCCRAQ-GDLZYMKVSA-N 0 0 529.633 6.437 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000016728921 553575376 /nfs/dbraw/zinc/57/53/76/553575376.db2.gz OJWVKJTVXXBKCW-UHFFFAOYSA-N 0 0 511.447 6.397 50 30 KKEARN CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OC)cc3)n2)cc1 ZINC000016728930 553575409 /nfs/dbraw/zinc/57/54/09/553575409.db2.gz YMDXSGHCMAOJEF-UHFFFAOYSA-N 0 0 501.530 6.167 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016729909 553576046 /nfs/dbraw/zinc/57/60/46/553576046.db2.gz WZLBBQZZIGUEKU-HHHXNRCGSA-N 0 0 519.594 6.034 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016729970 553576050 /nfs/dbraw/zinc/57/60/50/553576050.db2.gz YRHDKANVVZVZMN-CUBQBAPOSA-N 0 0 537.653 5.810 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000016731641 553577291 /nfs/dbraw/zinc/57/72/91/553577291.db2.gz BQGDFUPTILNBGQ-GDLZYMKVSA-N 0 0 529.633 5.978 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016731736 553577311 /nfs/dbraw/zinc/57/73/11/553577311.db2.gz MQKGIMDVVMMBAX-VWLOTQADSA-N 0 0 509.530 5.393 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016731754 553577318 /nfs/dbraw/zinc/57/73/18/553577318.db2.gz UTVIXRMKOBHMOO-AREMUKBSSA-N 0 0 507.558 6.083 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732198 553577473 /nfs/dbraw/zinc/57/74/73/553577473.db2.gz TWEUBJAMCDYOIC-JOCHJYFZSA-N 0 0 506.580 5.234 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016733802 553578255 /nfs/dbraw/zinc/57/82/55/553578255.db2.gz USSCFEJSNJWHKK-JTHBVZDNSA-N 0 0 514.416 5.385 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016733799 553578276 /nfs/dbraw/zinc/57/82/76/553578276.db2.gz USSCFEJSNJWHKK-GMAHTHKFSA-N 0 0 514.416 5.385 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000016735621 553578836 /nfs/dbraw/zinc/57/88/36/553578836.db2.gz WROLYMPFTOFDEP-UHFFFAOYSA-N 0 0 519.976 7.202 50 30 KKEARN CC(C)CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016736863 553579081 /nfs/dbraw/zinc/57/90/81/553579081.db2.gz NTXLNLBNSIHMAK-AREMUKBSSA-N 0 0 503.551 5.254 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753393 553580897 /nfs/dbraw/zinc/58/08/97/553580897.db2.gz ZQJGTTAANTVJTR-QHCPKHFHSA-N 0 0 520.632 6.328 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000016805201 553582644 /nfs/dbraw/zinc/58/26/44/553582644.db2.gz JRIKTHDLLGDTMB-HHHXNRCGSA-N 0 0 510.521 5.800 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000016975302 553585771 /nfs/dbraw/zinc/58/57/71/553585771.db2.gz NAVOUIBTHXWYGQ-LOYHVIPDSA-N 0 0 506.646 7.470 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000017112450 553587909 /nfs/dbraw/zinc/58/79/09/553587909.db2.gz LVMAHLDXUSOTKY-MHZLTWQESA-N 0 0 511.578 5.341 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017166796 553589512 /nfs/dbraw/zinc/58/95/12/553589512.db2.gz WVVSWHRKCNRXOK-KSNOWIBYSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1Cl ZINC000017166769 553589522 /nfs/dbraw/zinc/58/95/22/553589522.db2.gz DWYWRKDKKQSIKV-PNTFMKQHSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1Cl ZINC000017166764 553589564 /nfs/dbraw/zinc/58/95/64/553589564.db2.gz DWYWRKDKKQSIKV-BTZRARBUSA-N 0 0 524.013 5.063 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)C2)c1 ZINC000017160196 553589574 /nfs/dbraw/zinc/58/95/74/553589574.db2.gz ONQFSNCEYQZHNT-QNLPTKCRSA-N 0 0 518.588 7.049 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2 ZINC000017177772 553589835 /nfs/dbraw/zinc/58/98/35/553589835.db2.gz KHTDXQUKGHSXRB-LJQANCHMSA-N 0 0 512.404 5.941 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242301 553590885 /nfs/dbraw/zinc/59/08/85/553590885.db2.gz QXZKXWGZLWRWCS-OAQYLSRUSA-N 0 0 518.595 5.592 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020133653 553592211 /nfs/dbraw/zinc/59/22/11/553592211.db2.gz ZMMMMBBWOYVPTB-OAQYLSRUSA-N 0 0 518.595 5.592 50 30 KKEARN COc1ccccc1[C@H]1c2c(=O)[nH]c(SCc3ccc(C)cc3C)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134290 553592628 /nfs/dbraw/zinc/59/26/28/553592628.db2.gz BZBCUCFFWSLWTI-HSZRJFAPSA-N 0 0 501.652 5.888 50 30 KKEARN CCOc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017307575 553593112 /nfs/dbraw/zinc/59/31/12/553593112.db2.gz BIIXQJPYWPKPMM-JOCHJYFZSA-N 0 0 505.615 6.213 50 30 KKEARN O=C(/N=C1\SCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000070461140 553594341 /nfs/dbraw/zinc/59/43/41/553594341.db2.gz SHAAKNYBBJUQGG-FVDSYPCUSA-N 0 0 511.386 6.899 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000020149729 553594589 /nfs/dbraw/zinc/59/45/89/553594589.db2.gz KYNXMUCTYHCXFX-COYUYZSTSA-N 0 0 510.030 6.148 50 30 biogenic,in-vitro KKEARN CCCCCCCCCCCCCCCC(=O)N1CC[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)C12CCCC2 ZINC000070665214 553595781 /nfs/dbraw/zinc/59/57/81/553595781.db2.gz KNCDANLTTDIHTD-KXQOOQHDSA-N 0 0 570.862 9.498 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Cl)cc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070669882 553599225 /nfs/dbraw/zinc/59/92/25/553599225.db2.gz PBFZNBCIOYZGPX-KBDCRAKHSA-N 0 0 591.276 9.733 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccc(Cl)cc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070669884 553599254 /nfs/dbraw/zinc/59/92/54/553599254.db2.gz PBFZNBCIOYZGPX-OYWUMMIRSA-N 0 0 591.276 9.733 50 30 biogenic KKEARN CCCCCCCCCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000070669950 553599767 /nfs/dbraw/zinc/59/97/67/553599767.db2.gz WPUKZVQLXYWWEI-MHZLTWQESA-N 0 0 552.756 7.196 50 30 biogenic KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC[C@]5(c6ccccc6)CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070671996 553601377 /nfs/dbraw/zinc/60/13/77/553601377.db2.gz LGDIDFRWJWLEEK-FDUHXGHGSA-N 0 0 600.844 6.719 50 30 KKEARN C=CC[C@@H](Nc1ccc(Cc2ccc(N[C@@H](CC=C)c3ccc(OC)cc3)cc2)cc1)c1ccc(OC)cc1 ZINC000018106180 553604468 /nfs/dbraw/zinc/60/44/68/553604468.db2.gz UPTUBAHCBNDDGU-HJWAMQHWSA-N 0 0 518.701 8.753 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000020190674 553605587 /nfs/dbraw/zinc/60/55/87/553605587.db2.gz XDBCDFBHLIPMFE-CCLHPLFOSA-N 0 0 507.652 5.362 50 30 KKEARN N#CCCN(C(=O)CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)c1ccccc1 ZINC000018130199 553605717 /nfs/dbraw/zinc/60/57/17/553605717.db2.gz REMWYVDNLQMZSM-UHFFFAOYSA-N 0 0 515.542 5.517 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc(OC)c1 ZINC000018142928 553605950 /nfs/dbraw/zinc/60/59/50/553605950.db2.gz MLSJSZFTSVEINR-UDNBHOFDSA-N 0 0 512.625 7.315 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccc(Cl)cc3)C2)cc1OC ZINC000018172534 553607188 /nfs/dbraw/zinc/60/71/88/553607188.db2.gz AVAHFWFFLUFJHE-OLILMLBXSA-N 0 0 502.998 6.278 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000018180900 553607780 /nfs/dbraw/zinc/60/77/80/553607780.db2.gz KNYOBDIQBQFVLJ-ROTAYESASA-N 0 0 526.633 6.331 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000018197141 553608921 /nfs/dbraw/zinc/60/89/21/553608921.db2.gz IIBAMNVUHYSVGD-SSEXGKCCSA-N 0 0 506.602 6.359 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)OCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692045 553609156 /nfs/dbraw/zinc/60/91/56/553609156.db2.gz UQHHSSJZGSONDE-XISGTKFRSA-N 0 0 516.876 10.745 50 30 biogenic KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000018230066 553611131 /nfs/dbraw/zinc/61/11/31/553611131.db2.gz CXRZRTNQEIEIMZ-XOFWUJAUSA-N 0 0 514.434 6.163 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000018249477 553611327 /nfs/dbraw/zinc/61/13/27/553611327.db2.gz QVJQPGXWPBSGTB-AREMUKBSSA-N 0 0 515.481 7.725 50 30 KKEARN Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)S2)c1 ZINC000018254842 553611515 /nfs/dbraw/zinc/61/15/15/553611515.db2.gz KNUVWAFCURMCSG-QRVIBDJDSA-N 0 0 511.416 6.676 50 30 KKEARN C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCCc5c[nH]c6ccccc56)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692422 553611667 /nfs/dbraw/zinc/61/16/67/553611667.db2.gz VPZQQMZIGOADDZ-KEGZVUPBSA-N 0 0 527.709 5.526 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@@H]3c3cccs3)C2)cc1OC ZINC000018284663 553612163 /nfs/dbraw/zinc/61/21/63/553612163.db2.gz YIEXZJKFOWCLTR-WHLCRQNOSA-N 0 0 502.636 6.322 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018285098 553612217 /nfs/dbraw/zinc/61/22/17/553612217.db2.gz BVOQPWIQWCWRNB-URNDWHGUSA-N 0 0 534.744 8.773 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000019761301 553616047 /nfs/dbraw/zinc/61/60/47/553616047.db2.gz BTBCINOPBPFAQM-PIIWDFAUSA-N 0 0 535.637 5.282 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019770393 553616140 /nfs/dbraw/zinc/61/61/40/553616140.db2.gz QYPCEJDCLIVNLB-FKAPRUDGSA-N 0 0 523.629 6.199 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019805208 553617668 /nfs/dbraw/zinc/61/76/68/553617668.db2.gz IWOBKQLCOYLACN-MNNSJKJDSA-N 0 0 501.623 5.941 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000019804569 553617716 /nfs/dbraw/zinc/61/77/16/553617716.db2.gz QVQBOPOZDSOUNA-DEOSSOPVSA-N 0 0 516.937 5.569 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000019827855 553622560 /nfs/dbraw/zinc/62/25/60/553622560.db2.gz NKLLWVLUYTVMGI-AREMUKBSSA-N 0 0 505.611 5.102 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000019830834 553622731 /nfs/dbraw/zinc/62/27/31/553622731.db2.gz ZTNAOWOQCJVUTQ-WGDIFIGCSA-N 0 0 509.986 5.391 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000019830909 553622781 /nfs/dbraw/zinc/62/27/81/553622781.db2.gz AKAYTSNDHHNYMC-VONMNZPZSA-N 0 0 510.030 6.061 50 30 KKEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1=CCCCC1 ZINC000070705614 553625891 /nfs/dbraw/zinc/62/58/91/553625891.db2.gz YLDXDJDYDUJIIP-YZHXUENNSA-N 0 0 553.740 5.149 50 30 biogenic KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857826 553628908 /nfs/dbraw/zinc/62/89/08/553628908.db2.gz CSRXMRIKQNNVHE-JJEOQYAHSA-N 0 0 511.615 5.381 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000019880853 553629397 /nfs/dbraw/zinc/62/93/97/553629397.db2.gz UOHFJEFUHCRUBD-PPHZAIPVSA-N 0 0 522.041 6.205 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1OC ZINC000019880859 553629466 /nfs/dbraw/zinc/62/94/66/553629466.db2.gz UOHFJEFUHCRUBD-WINIVTDRSA-N 0 0 522.041 6.205 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000019892298 553630551 /nfs/dbraw/zinc/63/05/51/553630551.db2.gz CXNQCSKAVCVGDQ-JHPRIADQSA-N 0 0 510.030 6.061 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)O[C@H](C)CC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000019892253 553630588 /nfs/dbraw/zinc/63/05/88/553630588.db2.gz UTYBJLHSLRKEDE-OVPJMRJESA-N 0 0 519.638 5.806 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000019892373 553630820 /nfs/dbraw/zinc/63/08/20/553630820.db2.gz KVQKOKREOORSOV-XHCCPWGMSA-N 0 0 526.029 5.299 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000019892406 553630837 /nfs/dbraw/zinc/63/08/37/553630837.db2.gz UBVOOTCRDMBWPR-OLILMLBXSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000019892421 553630884 /nfs/dbraw/zinc/63/08/84/553630884.db2.gz UTUYZVPYCPUDFJ-ACSYHNTCSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000019892522 553631107 /nfs/dbraw/zinc/63/11/07/553631107.db2.gz VZBTXNPAVDKOMJ-DCFHFQCYSA-N 0 0 510.030 6.062 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCC ZINC000019892664 553631332 /nfs/dbraw/zinc/63/13/32/553631332.db2.gz COBTUHVYPXYGSR-PBBNMVCDSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000019892671 553631391 /nfs/dbraw/zinc/63/13/91/553631391.db2.gz UULDTQBVHJMRIB-PIIWDFAUSA-N 0 0 535.637 5.426 50 30 KKEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000020309256 553636355 /nfs/dbraw/zinc/63/63/55/553636355.db2.gz YACUQUCAIUYUEH-NRFANRHFSA-N 0 0 521.839 5.118 50 30 KKEARN CCOP(=O)(OCC)[C@H](c1ccccc1)N1C(=S)N=C(Nc2c(C)cccc2C)C12CCCCC2 ZINC000020418338 553647664 /nfs/dbraw/zinc/64/76/64/553647664.db2.gz XYWMCELFJQKKIA-XMMPIXPASA-N 0 0 513.644 7.191 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)c6ccc(C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000072332827 553650014 /nfs/dbraw/zinc/65/00/14/553650014.db2.gz JZUNILPNXFWFNX-FSLXGGOMSA-N 0 0 624.928 8.900 50 30 biogenic KKEARN C[C@]1([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CCC(c2ccccc2)(c2ccccc2)O1 ZINC000072336359 553650891 /nfs/dbraw/zinc/65/08/91/553650891.db2.gz OHAANEIIOVTZON-BZBRHFGUSA-N 0 0 508.746 8.647 50 30 biogenic KKEARN COc1ccc(/C=N/NS(=O)(=O)c2ccc(C(C)C)cc2)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000020550376 553671403 /nfs/dbraw/zinc/67/14/03/553671403.db2.gz YEYUYOPZOACYQX-KVSWJAHQSA-N 0 0 512.529 5.251 50 30 KKEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000079216848 553671485 /nfs/dbraw/zinc/67/14/85/553671485.db2.gz ARRUWGUXCIWXKQ-XZNGPUKWSA-N 0 0 677.879 5.146 50 30 biogenic KKEARN CC(C)[C@@H]1C[C@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1 ZINC000079216829 553671524 /nfs/dbraw/zinc/67/15/24/553671524.db2.gz IZGIQQFCMXUBRR-ADPFWPFBSA-N 0 0 691.906 5.392 50 30 biogenic KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5ccc(Br)c(Br)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079221023 553671530 /nfs/dbraw/zinc/67/15/30/553671530.db2.gz ZHFOXALTEOYOCL-UJBXECBASA-N 0 0 664.563 11.425 50 30 biogenic KKEARN CC(C)[C@H]1C[C@](CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)(c2ccccc2)CCO1 ZINC000079216832 553671544 /nfs/dbraw/zinc/67/15/44/553671544.db2.gz IZGIQQFCMXUBRR-DYZJVDDSSA-N 0 0 691.906 5.392 50 30 biogenic KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000020070011 553676044 /nfs/dbraw/zinc/67/60/44/553676044.db2.gz LVTQUFGCUVCNAT-LJAQVGFWSA-N 0 0 520.551 5.278 50 30 KKEARN CCOC(=O)c1sc2ncn(/N=C/c3ccc(N4CCC(c5ccc(Cl)cc5)=N4)cc3)c(=O)c2c1C ZINC000020615185 553679737 /nfs/dbraw/zinc/67/97/37/553679737.db2.gz DCNVKDCYXHKCQD-IPPBACCNSA-N 0 0 520.014 5.093 50 30 KKEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1OC ZINC000085877273 553688879 /nfs/dbraw/zinc/68/88/79/553688879.db2.gz NRGHZVKJJRQISM-NRFANRHFSA-N 0 0 528.557 5.882 50 30 biogenic KKEARN CCC1C/C(=C\c2ccc(Br)cc2OC)C(=O)/C(=C/c2ccc(Br)cc2OC)C1 ZINC000020115568 553697162 /nfs/dbraw/zinc/69/71/62/553697162.db2.gz UIWUQJIBFWCYLM-GDAWTGGTSA-N 0 0 520.261 7.085 50 30 KKEARN COc1cc2c(cc1NC(=O)CN1CCN(CC(=O)Nc3ccccc3Cl)CC1)oc1ccccc12 ZINC000020767340 553697796 /nfs/dbraw/zinc/69/77/96/553697796.db2.gz OIXCUEVILOZJLD-UHFFFAOYSA-N 0 0 506.990 5.742 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2cccc(Br)c2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850614 553699899 /nfs/dbraw/zinc/69/98/99/553699899.db2.gz OSJINDZTESRQNC-HSZRJFAPSA-N 0 0 523.500 6.608 50 30 KKEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1OC ZINC000020850922 553700213 /nfs/dbraw/zinc/70/02/13/553700213.db2.gz WXEFTVKDTJMJDB-RUZDIDTESA-N 0 0 504.656 5.944 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccs5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471799 553701462 /nfs/dbraw/zinc/70/14/62/553701462.db2.gz TWBQBOOSMWSGJQ-FEVLXFSSSA-N 0 0 534.850 9.201 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000095483800 553702187 /nfs/dbraw/zinc/70/21/87/553702187.db2.gz YJUBLCJVRJBQQK-RUZDIDTESA-N 0 0 508.018 5.727 50 30 KKEARN CCCCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 ZINC000095670883 553707083 /nfs/dbraw/zinc/70/70/83/553707083.db2.gz RWPXWSAQRABUGR-MRCUWXFGSA-N 0 0 514.072 5.573 50 30 KKEARN FC(F)(F)C(F)(F)C1(F)C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)[C@@](F)(C(F)(F)F)C1(F)F ZINC000095676673 553707249 /nfs/dbraw/zinc/70/72/49/553707249.db2.gz OPBDICCMIAULLE-PWNYCUMCSA-N 0 0 500.070 6.353 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681639 553707461 /nfs/dbraw/zinc/70/74/61/553707461.db2.gz NOCLWIPRQIWFMR-RNWVKMHRSA-N 0 0 784.100 9.164 50 30 KKEARN FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@@](F)(Br)C(F)(F)[C@@](F)(Cl)Br ZINC000095676955 553707474 /nfs/dbraw/zinc/70/74/74/553707474.db2.gz QJQQQFAGKHFLNC-QMRKIJBWSA-N 0 0 553.666 6.467 50 30 KKEARN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 ZINC000095681726 553707597 /nfs/dbraw/zinc/70/75/97/553707597.db2.gz ZFJPGQQBBNLQOX-VKHMYHEASA-N 0 0 526.133 6.420 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000095681698 553707610 /nfs/dbraw/zinc/70/76/10/553707610.db2.gz PMXVBJFBLLGPKO-UHFFFAOYSA-N 0 0 586.288 6.413 50 30 KKEARN FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br ZINC000095707787 553709355 /nfs/dbraw/zinc/70/93/55/553709355.db2.gz LYRJPHOHVRHNQH-UHFFFAOYSA-N 0 0 559.864 6.774 50 30 KKEARN O=S(=O)(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095704659 553709386 /nfs/dbraw/zinc/70/93/86/553709386.db2.gz VNESZGJNIAHBGB-UHFFFAOYSA-N 0 0 597.377 8.355 50 30 KKEARN CCOC(=O)C[C@]1(C(=O)OCC)C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O ZINC000095707886 553709665 /nfs/dbraw/zinc/70/96/65/553709665.db2.gz ZXPKQENNVJKVQL-UFBFGSQYSA-N 0 0 676.316 6.204 50 30 KKEARN CCCCCCCCN(CCCCCCCC)c1ccc2cc(/C=C\c3cc[n+](CCCS(=O)(=O)[O-])cc3)ccc2c1 ZINC000095714087 553709673 /nfs/dbraw/zinc/70/96/73/553709673.db2.gz IXFSUSNUALIXLU-UHFFFAOYSA-O 0 0 593.898 9.103 50 30 in-vitro KKEARN CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCCCCCCCC)ccc1-2 ZINC000095725719 553710782 /nfs/dbraw/zinc/71/07/82/553710782.db2.gz ACKSRUVECBPFLU-UHFFFAOYSA-N 0 0 604.923 8.096 50 30 biogenic KKEARN FC(F)(F)c1cc(-c2nsc(NCCNc3cccc(C(F)(F)F)n3)n2)cc(C(F)(F)F)c1 ZINC000095730704 553711048 /nfs/dbraw/zinc/71/10/48/553711048.db2.gz QMSJEIJSPSHWLR-UHFFFAOYSA-N 0 0 501.378 6.181 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000095730824 553711052 /nfs/dbraw/zinc/71/10/52/553711052.db2.gz PLSMGLCQMYCTSX-DHRITJCHSA-N 0 0 524.451 5.399 50 30 KKEARN O=S(=O)(Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000095742567 553712171 /nfs/dbraw/zinc/71/21/71/553712171.db2.gz VHDAGWAFRZIVGX-UHFFFAOYSA-N 0 0 592.461 6.345 50 30 KKEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000095742729 553712197 /nfs/dbraw/zinc/71/21/97/553712197.db2.gz OAZQQTCOFLJOEE-BEJOPBHTSA-N 0 0 556.297 7.265 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n21 ZINC000096021476 553717396 /nfs/dbraw/zinc/71/73/96/553717396.db2.gz CCAWWWIWBXLWJG-UHFFFAOYSA-N 0 0 502.791 9.903 50 30 KKEARN CCCCCCCCCCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1 ZINC000096022574 553721575 /nfs/dbraw/zinc/72/15/75/553721575.db2.gz UAZZTOFTEJESMV-QOCHGBHMSA-N 0 0 550.815 9.006 50 30 KKEARN Cc1ccc(S(=O)(=O)N=[P@](/C=C2\N(C)c3ccccc3C2(C)C)(Oc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000096022795 553722647 /nfs/dbraw/zinc/72/26/47/553722647.db2.gz POVDBBSVCNKVTH-WEBZJOSCSA-N 0 0 567.651 7.345 50 30 KKEARN N#Cc1c(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000022204332 553727627 /nfs/dbraw/zinc/72/76/27/553727627.db2.gz SAMARFHZEGYCIT-VYENPZKTSA-N 0 0 513.903 5.311 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C)cc1 ZINC000096287527 553738896 /nfs/dbraw/zinc/73/88/96/553738896.db2.gz LWZKEPCJULXLJM-VWLOTQADSA-N 0 0 524.086 6.243 50 30 KKEARN O=C1CCCC2=C1C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000022634514 553748861 /nfs/dbraw/zinc/74/88/61/553748861.db2.gz AIXAWPKKQKUCRU-UHFFFAOYSA-N 0 0 502.825 6.927 50 30 KKEARN CCn1cc(CC=C(N=Nc2ccc([N+](=O)[O-])cc2)c2ccc(I)cc2)c(C)n1 ZINC000022823870 553751887 /nfs/dbraw/zinc/75/18/87/553751887.db2.gz WOZMAICQZMWJNH-BWAUVZRDSA-N 0 0 501.328 5.254 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cccc(OC)c3OC)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000096585426 553756347 /nfs/dbraw/zinc/75/63/47/553756347.db2.gz UWOMYWPRQAFDPB-RCALMMMNSA-N 0 0 513.619 6.040 50 30 KKEARN COc1cc(/C=C2/CC/C(=C/c3cc(Cl)c(OC(C)=O)c(OC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000096592696 553756715 /nfs/dbraw/zinc/75/67/15/553756715.db2.gz FTARXZMKTPCRCQ-MZAUSLISSA-N 0 0 505.350 5.691 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097939530 553759688 /nfs/dbraw/zinc/75/96/88/553759688.db2.gz MQXFPEDVANDGRO-AREMUKBSSA-N 0 0 543.645 6.279 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000097939623 553759979 /nfs/dbraw/zinc/75/99/79/553759979.db2.gz XOCLGPRHSZFPMO-MYUZEXMDSA-N 0 0 534.008 5.306 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000097939688 553760466 /nfs/dbraw/zinc/76/04/66/553760466.db2.gz ZKIRJRVAFMAOJR-HBIPHATFSA-N 0 0 545.548 5.329 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000097939713 553760821 /nfs/dbraw/zinc/76/08/21/553760821.db2.gz RMKBYVMPLCHDTJ-OYLFLEFRSA-N 0 0 530.459 6.497 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000097939741 553760843 /nfs/dbraw/zinc/76/08/43/553760843.db2.gz CELSLVSRAQJBLD-WHPKCEERSA-N 0 0 579.715 5.184 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000097939765 553761068 /nfs/dbraw/zinc/76/10/68/553761068.db2.gz FZIJOJCAIICSRZ-CLYVBNDRSA-N 0 0 600.506 5.502 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000097939791 553761272 /nfs/dbraw/zinc/76/12/72/553761272.db2.gz RDHHMLYPFMKJOA-JRPXNJEYSA-N 0 0 542.607 5.852 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939782 553761308 /nfs/dbraw/zinc/76/13/08/553761308.db2.gz WWRACAHLGJEBNK-IIMAJNMQSA-N 0 0 611.757 5.778 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000097939839 553761837 /nfs/dbraw/zinc/76/18/37/553761837.db2.gz TWOUPJHABJJSEE-UVDDSOTQSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000097939840 553761890 /nfs/dbraw/zinc/76/18/90/553761890.db2.gz TWOUPJHABJJSEE-WKRVVKTRSA-N 0 0 598.696 6.038 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939883 553762146 /nfs/dbraw/zinc/76/21/46/553762146.db2.gz TWSNABHYICVZOA-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000097939876 553762187 /nfs/dbraw/zinc/76/21/87/553762187.db2.gz JYBMJDQRLZYXQR-WRGVRERRSA-N 0 0 589.088 6.380 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(C)c2)cc1 ZINC000097939897 553762190 /nfs/dbraw/zinc/76/21/90/553762190.db2.gz WADREBZJJRZYFX-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000097939891 553762198 /nfs/dbraw/zinc/76/21/98/553762198.db2.gz ZNRMISXICMWZJA-JRPXNJEYSA-N 0 0 559.062 6.366 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939960 553762767 /nfs/dbraw/zinc/76/27/67/553762767.db2.gz NMQBWZSIUYQTET-BNHRFMORSA-N 0 0 552.671 6.411 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000097939948 553762792 /nfs/dbraw/zinc/76/27/92/553762792.db2.gz IVZTYOILNKORQH-PVAZPRTOSA-N 0 0 598.696 6.120 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OCC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097939990 553763035 /nfs/dbraw/zinc/76/30/35/553763035.db2.gz DZVXTHJGINVNSW-DFXYEROKSA-N 0 0 595.689 5.061 50 30 KKEARN CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCN(c3nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n3)CC2)n1 ZINC000097940225 553763762 /nfs/dbraw/zinc/76/37/62/553763762.db2.gz DXKDNJZTCJAPKR-UHFFFAOYSA-N 0 0 813.445 6.211 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2I)c1-c1ccc(C#N)cc1 ZINC000097940460 553765482 /nfs/dbraw/zinc/76/54/82/553765482.db2.gz PEJGRCLYZJIQFX-UHFFFAOYSA-N 0 0 549.412 6.673 50 30 KKEARN O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1cncn1-c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000097940561 553766185 /nfs/dbraw/zinc/76/61/85/553766185.db2.gz OTENPAOBEOEJNP-UHFFFAOYSA-N 0 0 537.435 6.894 50 30 KKEARN C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)N=C3C)o2)ccc1Cl ZINC000097944385 553769338 /nfs/dbraw/zinc/76/93/38/553769338.db2.gz FSFWQFHIOOWXNF-ZHZULCJRSA-N 0 0 525.786 6.511 50 30 KKEARN CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C/c2ccc(Cl)cc2Cl)CCCCC1 ZINC000097944961 553770296 /nfs/dbraw/zinc/77/02/96/553770296.db2.gz QDICCHPVWBBAJY-LPVIDMEISA-N 0 0 565.376 8.866 50 30 KKEARN CCCCCCCCCCCCCOC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097945236 553770625 /nfs/dbraw/zinc/77/06/25/553770625.db2.gz NOBRHLLQMLKYTD-UDPYREPESA-N 0 0 515.694 6.733 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023308029 553772266 /nfs/dbraw/zinc/77/22/66/553772266.db2.gz ACTUSFZTDBVJEM-WJOKGBTCSA-N 0 0 514.714 5.531 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000097945475 553772434 /nfs/dbraw/zinc/77/24/34/553772434.db2.gz DXXCNCQXSWPXML-XBBWARJSSA-N 0 0 529.036 7.755 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023433093 553776181 /nfs/dbraw/zinc/77/61/81/553776181.db2.gz KGGMTOMGHLJZAZ-NDEPHWFRSA-N 0 0 519.045 5.006 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097946396 553778994 /nfs/dbraw/zinc/77/89/94/553778994.db2.gz ACWICHUONGFHBT-SWBDNCPRSA-N 0 0 646.769 5.533 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)SC1=S ZINC000097946399 553779022 /nfs/dbraw/zinc/77/90/22/553779022.db2.gz LXJLRYTVRDWGTI-FAJYDZGRSA-N 0 0 561.817 8.670 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S ZINC000097946472 553779523 /nfs/dbraw/zinc/77/95/23/553779523.db2.gz UAQHGJIHBANPNX-BWAHOGKJSA-N 0 0 505.709 7.028 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c1 ZINC000097946454 553779525 /nfs/dbraw/zinc/77/95/25/553779525.db2.gz ASRULWAOSZMOLN-BRPDVVIDSA-N 0 0 567.736 6.865 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)SC1=S ZINC000097946655 553781061 /nfs/dbraw/zinc/78/10/61/553781061.db2.gz QLOMEFDHAZMHLK-OOAXWGSJSA-N 0 0 568.208 8.543 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)cc1 ZINC000097946673 553781152 /nfs/dbraw/zinc/78/11/52/553781152.db2.gz YHPSUSSMKLFYCO-RRAHZORUSA-N 0 0 561.667 5.572 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000097946813 553781855 /nfs/dbraw/zinc/78/18/55/553781855.db2.gz OTOPHBHCXCVOHQ-ZCTHSVRISA-N 0 0 525.033 7.954 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023450516 553781892 /nfs/dbraw/zinc/78/18/92/553781892.db2.gz FKGHPDICQZACFM-SSEXGKCCSA-N 0 0 529.084 5.528 50 30 KKEARN CC(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000097946872 553782152 /nfs/dbraw/zinc/78/21/52/553782152.db2.gz BPXZCRNERWGPKT-WKULSOCRSA-N 0 0 553.913 8.048 50 30 KKEARN Cc1ccc(F)cc1C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023451075 553782275 /nfs/dbraw/zinc/78/22/75/553782275.db2.gz HOZFHIDLUCTEAC-HKBQPEDESA-N 0 0 526.656 5.322 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3cccc(F)c3F)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023452566 553782783 /nfs/dbraw/zinc/78/27/83/553782783.db2.gz ADPLWWWDHLTFSN-GDLZYMKVSA-N 0 0 530.619 5.153 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000097947494 553786803 /nfs/dbraw/zinc/78/68/03/553786803.db2.gz BRDKEUWKQGAAMA-IQPMGOHCSA-N 0 0 688.806 5.639 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947674 553788142 /nfs/dbraw/zinc/78/81/42/553788142.db2.gz GUHFITNALWRYBE-KMCFWPMWSA-N 0 0 695.595 5.505 50 30 KKEARN C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2cccc(Br)c2)n1 ZINC000023994964 553788140 /nfs/dbraw/zinc/78/81/40/553788140.db2.gz HYBVMXUTNLKLBI-UHFFFAOYSA-N 0 0 513.486 6.530 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000097947720 553788352 /nfs/dbraw/zinc/78/83/52/553788352.db2.gz WQAIKZXTRCVCHW-DIBXZPPDSA-N 0 0 554.042 8.281 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OC)nnc1-c1cccc(N(C)C)c1 ZINC000097947977 553790249 /nfs/dbraw/zinc/79/02/49/553790249.db2.gz JXAISCDROBKWEE-UHFFFAOYSA-N 0 0 547.706 5.751 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000097948325 553793161 /nfs/dbraw/zinc/79/31/61/553793161.db2.gz GFOTYEIGTPUQFY-ZOYWYXQUSA-N 0 0 563.495 7.972 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000097948421 553793651 /nfs/dbraw/zinc/79/36/51/553793651.db2.gz SHMLAMTVWRCOHT-NBLPZQPVSA-N 0 0 568.733 8.437 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(OCC)cc2)s1)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025144362 553794391 /nfs/dbraw/zinc/79/43/91/553794391.db2.gz SAKGJWWOSSKMJL-ZASATWBISA-N 0 0 512.675 6.746 50 30 KKEARN CCc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4cc(C)ccc4C)nc4ccc(Br)cc43)c2C#N)cc1 ZINC000097948545 553794732 /nfs/dbraw/zinc/79/47/32/553794732.db2.gz YWMKSWGEBNWNIW-UHFFFAOYSA-N 0 0 580.551 9.004 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(Cc2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948573 553794970 /nfs/dbraw/zinc/79/49/70/553794970.db2.gz FLWSYWGXQYTHEH-YQPGIBNTSA-N 0 0 581.587 9.865 50 30 KKEARN C[C@H](NC(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)c1cccc2ccccc21 ZINC000025146040 553795032 /nfs/dbraw/zinc/79/50/32/553795032.db2.gz NIQVKDBQAJWKRG-INIZCTEOSA-N 0 0 513.395 5.862 50 30 KKEARN N#Cc1cccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)c1 ZINC000025150082 553796102 /nfs/dbraw/zinc/79/61/02/553796102.db2.gz IMDLQARHDOIZTH-MAOIWGCQSA-N 0 0 523.618 5.510 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000097948760 553796511 /nfs/dbraw/zinc/79/65/11/553796511.db2.gz RHKMZFQMEZWVBQ-GFJKYASSSA-N 0 0 602.493 8.747 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000097948967 553798191 /nfs/dbraw/zinc/79/81/91/553798191.db2.gz OAXKKUNHFQHJDU-CGDLVVIGSA-N 0 0 622.693 7.383 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000097949010 553798415 /nfs/dbraw/zinc/79/84/15/553798415.db2.gz VVLJUSPPVBCKIM-URAOTHONSA-N 0 0 628.958 6.992 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097949131 553799634 /nfs/dbraw/zinc/79/96/34/553799634.db2.gz OOUURFFQUIEZGB-HFOCTHEHSA-N 0 0 649.231 9.573 50 30 KKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950683 553805234 /nfs/dbraw/zinc/80/52/34/553805234.db2.gz DSZCVTUUSXZLNB-OAHLLOKOSA-N 0 0 503.721 5.909 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950743 553805252 /nfs/dbraw/zinc/80/52/52/553805252.db2.gz ZQVVRJGDVCIAFK-NRFANRHFSA-N 0 0 518.784 8.919 50 30 KKEARN COc1ccc(NC(=O)[C@](F)(N2C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950856 553805731 /nfs/dbraw/zinc/80/57/31/553805731.db2.gz PVTVKXXCRWNXGY-VIFPVBQESA-N 0 0 547.218 5.370 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950805 553805768 /nfs/dbraw/zinc/80/57/68/553805768.db2.gz SHBUKBKBPUUYSG-OAQYLSRUSA-N 0 0 518.784 8.919 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000097950888 553805982 /nfs/dbraw/zinc/80/59/82/553805982.db2.gz HOOFETGBYNKMMH-HSZRJFAPSA-N 0 0 507.930 7.399 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950918 553805994 /nfs/dbraw/zinc/80/59/94/553805994.db2.gz UVJZHMGXQWHNSF-QFIPXVFZSA-N 0 0 601.910 8.639 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl ZINC000097950893 553806003 /nfs/dbraw/zinc/80/60/03/553806003.db2.gz LJHOAWKEJCEBFE-NRFANRHFSA-N 0 0 529.336 8.174 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950952 553806227 /nfs/dbraw/zinc/80/62/27/553806227.db2.gz LIKKSVJLFSAIIK-QFIPXVFZSA-N 0 0 542.817 8.765 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950940 553806249 /nfs/dbraw/zinc/80/62/49/553806249.db2.gz LAKVDTKMUVCIII-NRFANRHFSA-N 0 0 528.790 8.375 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097950925 553806255 /nfs/dbraw/zinc/80/62/55/553806255.db2.gz WNOLVXCIXADVNL-JOCHJYFZSA-N 0 0 591.904 9.184 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000097951025 553806513 /nfs/dbraw/zinc/80/65/13/553806513.db2.gz MDTMPFIIFHDGOI-SSOJOUAXSA-N 0 0 548.458 7.307 50 30 KKEARN CCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000097951000 553806530 /nfs/dbraw/zinc/80/65/30/553806530.db2.gz UCFWYGIENOMBSN-UHFFFAOYSA-N 0 0 528.221 6.320 50 30 KKEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025355673 553806629 /nfs/dbraw/zinc/80/66/29/553806629.db2.gz AXYWPCGEOBTRSO-UHFFFAOYSA-N 0 0 510.981 5.114 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000097951182 553807607 /nfs/dbraw/zinc/80/76/07/553807607.db2.gz SPVULZHSEKUSJV-MFMCTBQISA-N 0 0 533.510 8.349 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000097951183 553807620 /nfs/dbraw/zinc/80/76/20/553807620.db2.gz SPVULZHSEKUSJV-JDXGNMNLSA-N 0 0 533.510 8.349 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000097951214 553807736 /nfs/dbraw/zinc/80/77/36/553807736.db2.gz KLLNOYCZMUJFOQ-VBMGMRCRSA-N 0 0 539.705 7.309 50 30 KKEARN O[C@@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000097951248 553807754 /nfs/dbraw/zinc/80/77/54/553807754.db2.gz LJLKAUDBFMMGJE-GFCCVEGCSA-N 0 0 542.225 6.947 50 30 KKEARN CCCCCCCCCCCCOc1nc(NCCO)nc(OCCCCCCCCCCCC)n1 ZINC000097951375 553808548 /nfs/dbraw/zinc/80/85/48/553808548.db2.gz GDXDILPVHNZONV-UHFFFAOYSA-N 0 0 508.792 7.875 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000097951418 553808895 /nfs/dbraw/zinc/80/88/95/553808895.db2.gz MPSSQXCPLPZGCE-CQTOTRCISA-N 0 0 510.678 8.233 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000097951552 553809645 /nfs/dbraw/zinc/80/96/45/553809645.db2.gz DBTMZAQLVJOVLE-HKBQPEDESA-N 0 0 533.753 8.755 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097951657 553810605 /nfs/dbraw/zinc/81/06/05/553810605.db2.gz RWWFUDKEKKZVSK-SANMLTNESA-N 0 0 540.443 6.496 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097951776 553811205 /nfs/dbraw/zinc/81/12/05/553811205.db2.gz DFUULQAMVNNRTH-DEOSSOPVSA-N 0 0 533.049 7.039 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951814 553811479 /nfs/dbraw/zinc/81/14/79/553811479.db2.gz ABDULZNRKDORAP-QFIPXVFZSA-N 0 0 519.420 6.459 50 30 KKEARN CCCC[NH+](CCCC)C[C@@H](/C(C)=N/Nc1ccccc1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585194 553812213 /nfs/dbraw/zinc/81/22/13/553812213.db2.gz KKXZCQBJKCMAFH-XVZZAOHZSA-N 0 0 539.720 7.637 50 30 KKEARN CCCC[NH+](CCCC)C[C@@H](/C(C)=N/Nc1ccccc1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585183 553812250 /nfs/dbraw/zinc/81/22/50/553812250.db2.gz KKXZCQBJKCMAFH-XCQJLOCNSA-N 0 0 539.720 7.637 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000097952019 553812562 /nfs/dbraw/zinc/81/25/62/553812562.db2.gz NQWCRAJCBSASTG-QFIPXVFZSA-N 0 0 516.063 5.428 50 30 KKEARN O=C(/C=C/c1ccc(Br)s1)c1cncc(C(=O)/C=C\c2ccc(Br)s2)c1 ZINC000025693863 553812802 /nfs/dbraw/zinc/81/28/02/553812802.db2.gz SGCXXNMUGOAFLC-SOSXVSKCSA-N 0 0 509.244 6.522 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000097952187 553813826 /nfs/dbraw/zinc/81/38/26/553813826.db2.gz DOFOFPYYIFFLSK-MUUNZHRXSA-N 0 0 547.051 5.138 50 30 KKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2ccc(Cl)cc2Cl)n1 ZINC000025783441 553813867 /nfs/dbraw/zinc/81/38/67/553813867.db2.gz ALJLZIGQSGGHEM-UZTOHYMASA-N 0 0 518.444 6.697 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952230 553814239 /nfs/dbraw/zinc/81/42/39/553814239.db2.gz IXWPOVFFVKJTNE-AREMUKBSSA-N 0 0 542.613 5.970 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952280 553814506 /nfs/dbraw/zinc/81/45/06/553814506.db2.gz JVRUADABTKODOY-SANMLTNESA-N 0 0 528.630 6.528 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000097952287 553814802 /nfs/dbraw/zinc/81/48/02/553814802.db2.gz QQVRYQNZQUJMQW-WJOKGBTCSA-N 0 0 532.640 6.871 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952330 553815117 /nfs/dbraw/zinc/81/51/17/553815117.db2.gz KQRLLZXMQANQAS-AREMUKBSSA-N 0 0 526.614 6.269 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952320 553815170 /nfs/dbraw/zinc/81/51/70/553815170.db2.gz BKFBFXAYYYMHSR-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952380 553815377 /nfs/dbraw/zinc/81/53/77/553815377.db2.gz RDCUTIUKPJKNRA-AREMUKBSSA-N 0 0 544.629 6.194 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952529 553816245 /nfs/dbraw/zinc/81/62/45/553816245.db2.gz JZFCCUUUBJSJOG-VWLOTQADSA-N 0 0 542.613 5.827 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000097952523 553816357 /nfs/dbraw/zinc/81/63/57/553816357.db2.gz OUHYDTKCLCJREC-MHZLTWQESA-N 0 0 542.657 6.828 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952578 553816701 /nfs/dbraw/zinc/81/67/01/553816701.db2.gz OTHGLGMZZLNBJR-VWLOTQADSA-N 0 0 549.048 6.702 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097952599 553817098 /nfs/dbraw/zinc/81/70/98/553817098.db2.gz MYQBOMBALJHAPM-SSEXGKCCSA-N 0 0 535.640 7.243 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097952988 553818496 /nfs/dbraw/zinc/81/84/96/553818496.db2.gz JEMWRNRAEAPMDT-LJAQVGFWSA-N 0 0 541.600 5.242 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097953015 553818946 /nfs/dbraw/zinc/81/89/46/553818946.db2.gz NJZVODNBRZHWFD-MUUNZHRXSA-N 0 0 547.604 5.797 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000097953088 553819083 /nfs/dbraw/zinc/81/90/83/553819083.db2.gz HLAXFRLNKBOUOS-HSZRJFAPSA-N 0 0 545.772 6.368 50 30 KKEARN Oc1ccc(Br)cc1C(C[C@H](NNc1ccccc1)c1ccc(F)cc1)=NNc1ccccc1 ZINC000026534196 553819425 /nfs/dbraw/zinc/81/94/25/553819425.db2.gz CRDLHLNGBKYTBY-DOTFLBJPSA-N 0 0 519.418 6.858 50 30 KKEARN C[C@@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000097954142 553821671 /nfs/dbraw/zinc/82/16/71/553821671.db2.gz ZFAHBQKFOAPSEY-ODCWNRFASA-N 0 0 538.488 5.983 50 30 KKEARN C[C@H](c1ccccc1)N1C(=O)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000097954143 553821673 /nfs/dbraw/zinc/82/16/73/553821673.db2.gz ZFAHBQKFOAPSEY-SGANQWHYSA-N 0 0 538.488 5.983 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954501 553823441 /nfs/dbraw/zinc/82/34/41/553823441.db2.gz CCOYEDSVCDXTJJ-JPZYQRIQSA-N 0 0 531.608 6.368 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000027018578 553823755 /nfs/dbraw/zinc/82/37/55/553823755.db2.gz MCRPUVNRNJXDEI-SXBRIOAWSA-N 0 0 522.608 6.939 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954746 553825393 /nfs/dbraw/zinc/82/53/93/553825393.db2.gz NPCUNQIFFLPHCZ-UGDMGKLASA-N 0 0 531.608 6.368 50 30 KKEARN Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2sc3c(c2C#N)CCCC3)c1 ZINC000027520276 553827119 /nfs/dbraw/zinc/82/71/19/553827119.db2.gz NTWZFKKDSTUGRH-JVCXMKTPSA-N 0 0 518.436 6.800 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1OC ZINC000027520689 553827124 /nfs/dbraw/zinc/82/71/24/553827124.db2.gz HUIGVPRNDSUURM-XDHOZWIPSA-N 0 0 520.392 5.373 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955000 553827199 /nfs/dbraw/zinc/82/71/99/553827199.db2.gz ZSTPJSPASHUBDN-MYYSRTQBSA-N 0 0 532.618 5.549 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955028 553827419 /nfs/dbraw/zinc/82/74/19/553827419.db2.gz BFIQYJCVKFNWGX-WWOZWPLTSA-N 0 0 616.711 7.509 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955017 553827534 /nfs/dbraw/zinc/82/75/34/553827534.db2.gz LACSRIVUSLOSCQ-YMGMXPECSA-N 0 0 588.657 6.729 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955038 553827795 /nfs/dbraw/zinc/82/77/95/553827795.db2.gz KFSUTYYSYOISJL-IVCQMTBJSA-N 0 0 546.645 5.939 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097955088 553828292 /nfs/dbraw/zinc/82/82/92/553828292.db2.gz DPIXBAYOUNYRCW-MRDQGFSESA-N 0 0 526.614 6.028 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955115 553828686 /nfs/dbraw/zinc/82/86/86/553828686.db2.gz IZJZSYDKKSZKQN-QMTYFTJSSA-N 0 0 542.632 6.839 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522361 553828716 /nfs/dbraw/zinc/82/87/16/553828716.db2.gz FUFWODJSBMWULU-MLNTVTBVSA-N 0 0 524.042 5.908 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000027522428 553828985 /nfs/dbraw/zinc/82/89/85/553828985.db2.gz IIXIRCMWWKTWKW-FJOMVMCCSA-N 0 0 508.043 5.229 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(C(C)=O)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000027522631 553829342 /nfs/dbraw/zinc/82/93/42/553829342.db2.gz LRCBKDVNAVFOIL-PGWWVJEZSA-N 0 0 519.598 5.240 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000027527392 553830353 /nfs/dbraw/zinc/83/03/53/553830353.db2.gz GMNRFTSFSGNQAC-UHFFFAOYSA-N 0 0 518.625 7.204 50 30 KKEARN CCOc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000097955514 553830971 /nfs/dbraw/zinc/83/09/71/553830971.db2.gz DZZPCWUKROQHHX-SVJPUMPYSA-N 0 0 541.688 6.833 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955600 553831616 /nfs/dbraw/zinc/83/16/16/553831616.db2.gz HHSAHDPRDVBNNE-WNSKOXEYSA-N 0 0 548.617 5.133 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955621 553832063 /nfs/dbraw/zinc/83/20/63/553832063.db2.gz GTZKUPSZKACDOV-MUUNZHRXSA-N 0 0 602.665 6.047 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955631 553832078 /nfs/dbraw/zinc/83/20/78/553832078.db2.gz ATCIFEOOTWDWKI-GEFUHLBYSA-N 0 0 604.684 6.990 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955695 553832859 /nfs/dbraw/zinc/83/28/59/553832859.db2.gz AIEXQUWTZBIGOD-CMJOXMDJSA-N 0 0 532.618 5.468 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000027547394 553832963 /nfs/dbraw/zinc/83/29/63/553832963.db2.gz DNKALQVHMGXKPP-WHLCRQNOSA-N 0 0 516.544 5.679 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000027547457 553832984 /nfs/dbraw/zinc/83/29/84/553832984.db2.gz LOAVHCPECLHPFO-OAQYLSRUSA-N 0 0 505.334 6.075 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000027547373 553832990 /nfs/dbraw/zinc/83/29/90/553832990.db2.gz XDDXGSYDXPVMMS-QHCPKHFHSA-N 0 0 500.517 5.662 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000027546883 553833039 /nfs/dbraw/zinc/83/30/39/553833039.db2.gz CDBYNNPHLRBDIF-OLILMLBXSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547994 553833248 /nfs/dbraw/zinc/83/32/48/553833248.db2.gz HKEGNEQQDFIFLJ-FNZWTVRRSA-N 0 0 503.524 6.101 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(C)(C)C)s2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027548006 553833273 /nfs/dbraw/zinc/83/32/73/553833273.db2.gz MYNKFCVYOUFILL-DEOSSOPVSA-N 0 0 516.629 7.307 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955736 553833547 /nfs/dbraw/zinc/83/35/47/553833547.db2.gz VLSDSOWSMUFISA-WRONEBCDSA-N 0 0 568.695 7.198 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955753 553833614 /nfs/dbraw/zinc/83/36/14/553833614.db2.gz LCJYVBRZRSVTIK-AKJBCIBTSA-N 0 0 528.605 6.665 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955805 553834183 /nfs/dbraw/zinc/83/41/83/553834183.db2.gz KFPMLYTVLDONCL-LDLUVENISA-N 0 0 602.684 7.119 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955816 553834252 /nfs/dbraw/zinc/83/42/52/553834252.db2.gz ZWIGRVOWZKLLLY-JBEBIEQOSA-N 0 0 533.005 6.065 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000097956071 553836096 /nfs/dbraw/zinc/83/60/96/553836096.db2.gz UMHXBUOKHIBJJM-SQVRLAAPSA-N 0 0 603.457 5.642 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097956224 553836951 /nfs/dbraw/zinc/83/69/51/553836951.db2.gz TXHJBPAJCGPVTC-HHHXNRCGSA-N 0 0 538.669 7.111 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956232 553837020 /nfs/dbraw/zinc/83/70/20/553837020.db2.gz HQUYXDKPWGFUHU-WXTAPIANSA-N 0 0 524.598 5.828 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956548 553839391 /nfs/dbraw/zinc/83/93/91/553839391.db2.gz INPODPIXYPKURC-YHAMSUFESA-N 0 0 542.588 6.107 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956549 553839437 /nfs/dbraw/zinc/83/94/37/553839437.db2.gz INPODPIXYPKURC-DXPJPUQTSA-N 0 0 542.588 6.107 50 30 KKEARN COc1ccccc1NC(=O)CSc1nnc2c3c(c(C#N)c(Nc4ccc(C)cc4)n12)CC(C)(C)OC3 ZINC000097956683 553840828 /nfs/dbraw/zinc/84/08/28/553840828.db2.gz AWUVNBUYKYOOHY-UHFFFAOYSA-N 0 0 528.638 5.244 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956813 553842196 /nfs/dbraw/zinc/84/21/96/553842196.db2.gz VOQYZQFQOHQSSU-JOCHJYFZSA-N 0 0 536.606 5.127 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OCC)cc3)n2)cc1 ZINC000097956858 553842654 /nfs/dbraw/zinc/84/26/54/553842654.db2.gz VOWQGWUAZJVHCD-UHFFFAOYSA-N 0 0 529.584 6.947 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccc(Br)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000097957729 553847716 /nfs/dbraw/zinc/84/77/16/553847716.db2.gz OASRXBTWARBYJN-LZWJFYTLSA-N 0 0 583.551 8.183 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097957782 553848420 /nfs/dbraw/zinc/84/84/20/553848420.db2.gz KFQGRWVJPXGJKP-PYMNRZMWSA-N 0 0 575.687 5.474 50 30 KKEARN CN1CCN(c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2[C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)CC1 ZINC000029747836 553849186 /nfs/dbraw/zinc/84/91/86/553849186.db2.gz FQUKFMFDNFEEMA-UUWRZZSWSA-N 0 0 594.760 5.561 50 30 KKEARN COc1ccc(C(=O)Nc2cccc(C(=O)/C=C/c3ccc(/C=C/C(=O)c4cccc(NC(=O)c5ccc(OC)cc5)c4)cc3)c2)cc1 ZINC000097958129 553851390 /nfs/dbraw/zinc/85/13/90/553851390.db2.gz UKXBEEPVTRVENV-RNIAWFEPSA-N 0 0 636.704 8.001 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1OC ZINC000097958295 553853062 /nfs/dbraw/zinc/85/30/62/553853062.db2.gz RRVNJHUAYAWVAD-UHFFFAOYSA-N 0 0 527.675 6.456 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1cccc(OC)c1 ZINC000097958324 553853274 /nfs/dbraw/zinc/85/32/74/553853274.db2.gz SROOFXBOTKOZJY-UHFFFAOYSA-N 0 0 527.675 6.456 50 30 KKEARN COc1ccc(-n2c(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nnc2-c2ccccc2F)cc1 ZINC000097958456 553854750 /nfs/dbraw/zinc/85/47/50/553854750.db2.gz NAPMRQSZADRANF-UHFFFAOYSA-N 0 0 570.490 6.850 50 30 KKEARN O=C(COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1)Nc1ccccc1 ZINC000097958737 553857446 /nfs/dbraw/zinc/85/74/46/553857446.db2.gz CHXKZRQSAKCRTF-LIJWJGRDSA-N 0 0 533.653 6.551 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1OCC ZINC000097959563 553864618 /nfs/dbraw/zinc/86/46/18/553864618.db2.gz ZPDBFXRBIKSWAW-XHJVDNTNSA-N 0 0 609.542 6.636 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097959628 553864802 /nfs/dbraw/zinc/86/48/02/553864802.db2.gz ADWPWZXGPNHJOX-FJOMVMCCSA-N 0 0 542.032 5.699 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959687 553865424 /nfs/dbraw/zinc/86/54/24/553865424.db2.gz RTWSAUGCGNRPJZ-VFPKNACXSA-N 0 0 579.650 5.223 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000097959839 553866419 /nfs/dbraw/zinc/86/64/19/553866419.db2.gz HWSKXGZUGZXLJX-NDEPHWFRSA-N 0 0 637.462 6.086 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000097959842 553866493 /nfs/dbraw/zinc/86/64/93/553866493.db2.gz ZIKUUIBXBYVPHM-PMERELPUSA-N 0 0 624.719 7.035 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1F ZINC000097959853 553866839 /nfs/dbraw/zinc/86/68/39/553866839.db2.gz YTJIOIJQOLCCQC-PMERELPUSA-N 0 0 615.702 7.405 50 30 KKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000097960095 553868012 /nfs/dbraw/zinc/86/80/12/553868012.db2.gz HTUZZZWWRZLQJJ-RGVLZGJSSA-N 0 0 674.248 6.645 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(I)o2)S/C(=N\c2ccccc2)N1C[C@@H]1CCCO1 ZINC000097960205 553869256 /nfs/dbraw/zinc/86/92/56/553869256.db2.gz KSTFHHKMCMUAGW-ZJAJWDHUSA-N 0 0 559.223 5.430 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccccc3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1OC ZINC000097960220 553869284 /nfs/dbraw/zinc/86/92/84/553869284.db2.gz LICZNNXZXAVASC-TXBHVNISSA-N 0 0 557.594 5.926 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1-c1cc2cc(Br)ccc2o1 ZINC000032579579 553869281 /nfs/dbraw/zinc/86/92/81/553869281.db2.gz BGVMOYZEYLACJL-UHFFFAOYSA-N 0 0 501.381 5.818 50 30 KKEARN C#CCN1C(=O)S/C(=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C1=O ZINC000097960413 553871233 /nfs/dbraw/zinc/87/12/33/553871233.db2.gz UXHLHPJZRMAULX-YVLHZVERSA-N 0 0 680.099 5.907 50 30 KKEARN C#CCN1C(=O)S/C(=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000097960412 553871256 /nfs/dbraw/zinc/87/12/56/553871256.db2.gz FDQQCVHVWPYNSH-ZDLGFXPLSA-N 0 0 532.213 5.332 50 30 KKEARN COc1ccccc1/N=C1\S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)N1c1ccccc1OC ZINC000097960629 553873282 /nfs/dbraw/zinc/87/32/82/553873282.db2.gz WYNLSQBDZUBLDM-ULUPDLRSSA-N 0 0 631.548 7.863 50 30 KKEARN Cc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c(C)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000097961226 553876026 /nfs/dbraw/zinc/87/60/26/553876026.db2.gz FAXWTNIYPFCKTB-UHFFFAOYSA-N 0 0 790.928 6.111 50 30 KKEARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000032911091 553876190 /nfs/dbraw/zinc/87/61/90/553876190.db2.gz NZFHMBZZYUPRET-LJQANCHMSA-N 0 0 503.027 5.526 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(OC)cc2)cc1 ZINC000097962019 553882346 /nfs/dbraw/zinc/88/23/46/553882346.db2.gz HKKREIFQJHWHQG-CTXJTIKKSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 ZINC000097962015 553882347 /nfs/dbraw/zinc/88/23/47/553882347.db2.gz SHFSMXFAGLLVIG-VYVLKNFJSA-N 0 0 527.584 6.513 50 30 KKEARN N#Cc1ccccc1COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000097962147 553883364 /nfs/dbraw/zinc/88/33/64/553883364.db2.gz CTVVSQPDMNLENN-SRZZPIQSSA-N 0 0 723.355 5.893 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c1O ZINC000097962683 553885087 /nfs/dbraw/zinc/88/50/87/553885087.db2.gz OSOGJFMREYPUJV-RPPGKUMJSA-N 0 0 529.232 6.918 50 30 KKEARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCN(Cc3ccccc3)C4)cc2)C1 ZINC000097963469 553890571 /nfs/dbraw/zinc/89/05/71/553890571.db2.gz RHKHDMMOSUOURN-SFTDATJTSA-N 0 0 548.734 5.097 50 30 KKEARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1 ZINC000097963467 553890604 /nfs/dbraw/zinc/89/06/04/553890604.db2.gz UJUZSCGNHSYXPT-UHFFFAOYSA-N 0 0 564.777 6.021 50 30 KKEARN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)c1C)CCCC2 ZINC000097964080 553896280 /nfs/dbraw/zinc/89/62/80/553896280.db2.gz PZJOCSOTONHFMV-IWIPYMOSSA-N 0 0 533.719 6.720 50 30 KKEARN COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000097964060 553896284 /nfs/dbraw/zinc/89/62/84/553896284.db2.gz LUIPSWJTBONYIV-KPPGYNQZSA-N 0 0 625.492 5.950 50 30 KKEARN O=C(CC1S/C(=N\S(=O)(=O)c2ccc(Cl)s2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000097964259 553896934 /nfs/dbraw/zinc/89/69/34/553896934.db2.gz ZBOPVAGOJMWZRS-HDUHFAKSSA-N 0 0 540.475 5.277 50 30 KKEARN F[C@@H](C(F)(F)F)C(F)(F)Oc1cc(C=NNc2ncnc3[nH]cnc32)ccc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000097965327 553904171 /nfs/dbraw/zinc/90/41/71/553904171.db2.gz LZDKHMCNTBMNCF-WRNOFVFISA-N 0 0 570.294 5.543 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965471 553904756 /nfs/dbraw/zinc/90/47/56/553904756.db2.gz BGWVDCDNSDMHHU-YNYLIKIKSA-N 0 0 526.621 5.945 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965473 553904759 /nfs/dbraw/zinc/90/47/59/553904759.db2.gz BGWVDCDNSDMHHU-PNPNKJMHSA-N 0 0 526.621 5.945 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965469 553904823 /nfs/dbraw/zinc/90/48/23/553904823.db2.gz ZTIFAPRUGODDSV-KZYRXKTPSA-N 0 0 540.648 5.941 50 30 KKEARN N=C(Nc1nccs1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965542 553905476 /nfs/dbraw/zinc/90/54/76/553905476.db2.gz MNABUQLNPCOOIG-FSPLSTOPSA-N 0 0 577.216 6.004 50 30 KKEARN N=C(Nc1nccs1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965540 553905564 /nfs/dbraw/zinc/90/55/64/553905564.db2.gz MNABUQLNPCOOIG-CAHLUQPWSA-N 0 0 577.216 6.004 50 30 KKEARN Cc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)C[C@H](C)CC2 ZINC000097965623 553905572 /nfs/dbraw/zinc/90/55/72/553905572.db2.gz TYVOSJGOBOIISB-XICVZUFPSA-N 0 0 608.001 9.179 50 30 KKEARN N=C(Nc1nc2ccccc2s1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965545 553905579 /nfs/dbraw/zinc/90/55/79/553905579.db2.gz UEDVETDNTOFKOT-MWLCHTKSSA-N 0 0 627.276 7.158 50 30 KKEARN C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000097965781 553905845 /nfs/dbraw/zinc/90/58/45/553905845.db2.gz SOQDETHYAKWTOL-LODFRUGASA-N 0 0 516.389 5.447 50 30 KKEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000097966348 553908386 /nfs/dbraw/zinc/90/83/86/553908386.db2.gz IBMNRKBJTLEFIQ-ATSFVSDYSA-N 0 0 587.481 6.878 50 30 KKEARN COc1ccc(C(=O)C=CNc2ccc(Cc3ccc(NC=CC(=O)c4ccc(OC)cc4OC)cc3)cc2)c(OC)c1 ZINC000097966337 553908412 /nfs/dbraw/zinc/90/84/12/553908412.db2.gz WIKXGHCDGLIYQL-XPWSMXQVSA-N 0 0 578.665 6.929 50 30 KKEARN Brc1ccc(C=Nc2ccc3[nH]c(-c4ccc(-c5nc6cc(N=Cc7ccc(Br)cc7)ccc6[nH]5)cc4)nc3c2)cc1 ZINC000097966769 553910294 /nfs/dbraw/zinc/91/02/94/553910294.db2.gz AEMFHTCDBNRKKC-RIOOQTRLSA-N 0 0 674.400 9.799 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1 ZINC000097966775 553910309 /nfs/dbraw/zinc/91/03/09/553910309.db2.gz UCZJNQMHPQHITO-HKBQPEDESA-N 0 0 578.750 8.663 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000097966834 553910735 /nfs/dbraw/zinc/91/07/35/553910735.db2.gz JSAPNSZNCPHKLB-PMERELPUSA-N 0 0 580.637 5.773 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097966864 553911283 /nfs/dbraw/zinc/91/12/83/553911283.db2.gz GJMKNMGIKUJZDK-WJOKGBTCSA-N 0 0 612.649 9.517 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097967064 553913430 /nfs/dbraw/zinc/91/34/30/553913430.db2.gz WEGYRGQEFZMWQR-UVDDSOTQSA-N 0 0 555.671 6.756 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097967049 553913590 /nfs/dbraw/zinc/91/35/90/553913590.db2.gz SRJYUNQNNFYQML-DEOSSOPVSA-N 0 0 560.672 6.192 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(Cl)cc1 ZINC000097967109 553913845 /nfs/dbraw/zinc/91/38/45/553913845.db2.gz UQIKYQZQQPMYTB-SSEXGKCCSA-N 0 0 617.068 10.162 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097967136 553914336 /nfs/dbraw/zinc/91/43/36/553914336.db2.gz VHVCWLHRSHYVOP-JGCGQSQUSA-N 0 0 584.713 6.123 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967218 553915348 /nfs/dbraw/zinc/91/53/48/553915348.db2.gz NULXDRBPBRHLMK-NHRFMIRVSA-N 0 0 575.661 6.419 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967237 553915779 /nfs/dbraw/zinc/91/57/79/553915779.db2.gz ZEWSBWXRXLWYKX-VTLMBFNKSA-N 0 0 648.737 7.389 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097967250 553915843 /nfs/dbraw/zinc/91/58/43/553915843.db2.gz CDFSDEPLHUZHRW-PMERELPUSA-N 0 0 557.643 6.060 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967273 553916186 /nfs/dbraw/zinc/91/61/86/553916186.db2.gz GHOPCFOADZDUFM-PRAQEBQASA-N 0 0 598.721 7.207 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967351 553917113 /nfs/dbraw/zinc/91/71/13/553917113.db2.gz MXUDVLQDTJPAEL-XRHLQHRESA-N 0 0 601.725 7.199 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967350 553917209 /nfs/dbraw/zinc/91/72/09/553917209.db2.gz MXUDVLQDTJPAEL-DNOBIOAJSA-N 0 0 601.725 7.199 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967359 553917699 /nfs/dbraw/zinc/91/76/99/553917699.db2.gz LTYMDGVBYOXIHV-JWIGPWBQSA-N 0 0 572.639 5.819 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967393 553918106 /nfs/dbraw/zinc/91/81/06/553918106.db2.gz KHWWPQWROSHUGV-QLXKLKPCSA-N 0 0 560.672 6.185 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967510 553919513 /nfs/dbraw/zinc/91/95/13/553919513.db2.gz PKHYSNXPYQVGPI-HHHXNRCGSA-N 0 0 598.677 6.307 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967549 553920146 /nfs/dbraw/zinc/92/01/46/553920146.db2.gz PNTJLHUJOYHPDS-GDLZYMKVSA-N 0 0 558.631 5.599 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967624 553921001 /nfs/dbraw/zinc/92/10/01/553921001.db2.gz VMZVETOSLLRHKT-AKJBCIBTSA-N 0 0 561.059 6.845 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967622 553921104 /nfs/dbraw/zinc/92/11/04/553921104.db2.gz VMZVETOSLLRHKT-YHAMSUFESA-N 0 0 561.059 6.845 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967667 553921426 /nfs/dbraw/zinc/92/14/26/553921426.db2.gz OFIDRYLABPJCDO-AKJBCIBTSA-N 0 0 559.043 6.621 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967680 553921704 /nfs/dbraw/zinc/92/17/04/553921704.db2.gz SYYMIMMIEKLIHB-SONOPUAISA-N 0 0 584.694 6.817 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967710 553922278 /nfs/dbraw/zinc/92/22/78/553922278.db2.gz NBKQWHQSKVPCSI-YKGWIAGDSA-N 0 0 573.690 5.699 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967732 553922349 /nfs/dbraw/zinc/92/23/49/553922349.db2.gz UKTBPZRMHASWBI-CLYVBNDRSA-N 0 0 620.724 6.312 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967749 553922798 /nfs/dbraw/zinc/92/27/98/553922798.db2.gz HNNMPCKKTLHDPD-JMQGSBJISA-N 0 0 568.651 6.366 50 30 KKEARN COc1cc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1C(=O)Oc1ccccc1I ZINC000033353070 553922898 /nfs/dbraw/zinc/92/28/98/553922898.db2.gz LAFXRLZEZNLYKM-KCSSXMTESA-N 0 0 601.396 7.043 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967790 553922990 /nfs/dbraw/zinc/92/29/90/553922990.db2.gz PYDWLZXQVPBKTC-WRHNGFHOSA-N 0 0 583.666 5.931 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967780 553922997 /nfs/dbraw/zinc/92/29/97/553922997.db2.gz ANYVRNIVOJHQBM-RIPCNWKXSA-N 0 0 662.764 7.779 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967767 553923054 /nfs/dbraw/zinc/92/30/54/553923054.db2.gz QWTKHTQEXANXAI-XBBWARJSSA-N 0 0 640.714 6.322 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967781 553923157 /nfs/dbraw/zinc/92/31/57/553923157.db2.gz ANYVRNIVOJHQBM-GMWXTNTRSA-N 0 0 662.764 7.779 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033353300 553924387 /nfs/dbraw/zinc/92/43/87/553924387.db2.gz GWOIDCAXYTZSAE-MRVPVSSYSA-N 0 0 531.059 5.265 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2ccc(Br)cc2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000033353322 553924509 /nfs/dbraw/zinc/92/45/09/553924509.db2.gz UGMPPFFMKYIWQP-FDVSRXAVSA-N 0 0 543.347 6.491 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967877 553924574 /nfs/dbraw/zinc/92/45/74/553924574.db2.gz PJVNFSLGBYOTMJ-RBSBEOHCSA-N 0 0 578.621 7.334 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967866 553924662 /nfs/dbraw/zinc/92/46/62/553924662.db2.gz SNNNYJBWVRNLER-MUUNZHRXSA-N 0 0 584.650 6.122 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000097967904 553924882 /nfs/dbraw/zinc/92/48/82/553924882.db2.gz MDLQQAFQBRDZBI-SDRGJPCHSA-N 0 0 559.648 5.311 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]4c2ccccc2)cc1 ZINC000097967992 553926225 /nfs/dbraw/zinc/92/62/25/553926225.db2.gz NWXXHNOJFTUIFG-VNODALHLSA-N 0 0 578.032 6.117 50 30 KKEARN CCCCCCCCCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(CCCCCCCCC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000033353696 553926523 /nfs/dbraw/zinc/92/65/23/553926523.db2.gz KXVGOYULFOLWKL-UHFFFAOYSA-N 0 0 698.948 11.553 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NCC(=O)OC2CCCCCCCCCCC2)cc1 ZINC000033353732 553926705 /nfs/dbraw/zinc/92/67/05/553926705.db2.gz OPBZKBNSQSNWTJ-UHFFFAOYSA-N 0 0 514.795 8.576 50 30 biogenic KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1 ZINC000033353866 553927239 /nfs/dbraw/zinc/92/72/39/553927239.db2.gz SAYLJCDBCRQLMS-UHFFFAOYSA-N 0 0 568.758 6.726 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CCC4)[C@@H]3c3ccc(C)o3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000033354185 553928599 /nfs/dbraw/zinc/92/85/99/553928599.db2.gz XVRSLDQEWCQUQH-KKLWWLSJSA-N 0 0 628.722 5.992 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968303 553930365 /nfs/dbraw/zinc/93/03/65/553930365.db2.gz XRCQEQOVTRJSGM-ADSBAMQRSA-N 0 0 616.711 7.365 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000033354618 553930517 /nfs/dbraw/zinc/93/05/17/553930517.db2.gz BWCMBOQCWPCYIR-WRQBUUCKSA-N 0 0 608.892 6.820 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 ZINC000033354669 553930947 /nfs/dbraw/zinc/93/09/47/553930947.db2.gz GEGDYHYQKVHQKW-LJTBLCAVSA-N 0 0 661.223 9.594 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000033354711 553930957 /nfs/dbraw/zinc/93/09/57/553930957.db2.gz IDXCCYAGSIZIIS-PUAOIOHZSA-N 0 0 531.361 7.456 50 30 KKEARN COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(COc4ccccc4F)c3)C2=O)cc1COc1ccccc1F ZINC000097968542 553933158 /nfs/dbraw/zinc/93/31/58/553933158.db2.gz VEARTRHSXOCFOY-BFNWXZRRSA-N 0 0 582.643 8.360 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000033355188 553933431 /nfs/dbraw/zinc/93/34/31/553933431.db2.gz SHBHLLGDUVTMBM-DGOBPVDHSA-N 0 0 668.718 7.092 50 30 KKEARN Cc1ccc(C)c(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c1 ZINC000033355191 553933494 /nfs/dbraw/zinc/93/34/94/553933494.db2.gz YQIJEBHCNZUWRF-JEQUNIJOSA-N 0 0 527.580 6.165 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccccc4)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000033355177 553933511 /nfs/dbraw/zinc/93/35/11/553933511.db2.gz GDWRRQJYZYAPDD-NHRFMIRVSA-N 0 0 639.546 7.689 50 30 KKEARN Cc1ccc(C)c(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c1 ZINC000033355189 553933481 /nfs/dbraw/zinc/93/34/81/553933481.db2.gz YQIJEBHCNZUWRF-FYQXZDNISA-N 0 0 527.580 6.165 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000097968597 553933709 /nfs/dbraw/zinc/93/37/09/553933709.db2.gz PLOIAGSWMPQCHF-SXKCLOSDSA-N 0 0 555.578 6.043 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000097968598 553933723 /nfs/dbraw/zinc/93/37/23/553933723.db2.gz PLOIAGSWMPQCHF-XGNCBHKFSA-N 0 0 555.578 6.043 50 30 KKEARN CC(=O)/C(=N/Nc1ccc(Br)cc1)Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000097968620 553933830 /nfs/dbraw/zinc/93/38/30/553933830.db2.gz FRIDNWADBFQFNF-BNIPGBBVSA-N 0 0 604.574 7.763 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1-c1ccccc1 ZINC000097968723 553934021 /nfs/dbraw/zinc/93/40/21/553934021.db2.gz DOVZNBOLHCHMLH-PEJLKVTHSA-N 0 0 554.027 5.612 50 30 KKEARN COc1cc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3ccc(Cl)cc3)c2C#N)c(OC)cc1Cl ZINC000033355308 553934179 /nfs/dbraw/zinc/93/41/79/553934179.db2.gz SCBQVNNNAYHVJL-UHFFFAOYSA-N 0 0 621.546 7.544 50 30 KKEARN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)n(-c3ccccc3)c2=O)cc1 ZINC000097968756 553934291 /nfs/dbraw/zinc/93/42/91/553934291.db2.gz PPUBAVZEEAOLRM-LZCSZACGSA-N 0 0 522.413 5.006 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@@H](O)C[S@@](=O)Cc1ccc(Cl)cc1 ZINC000033355427 553934718 /nfs/dbraw/zinc/93/47/18/553934718.db2.gz DPKRAOABIRAAFO-GPJMPKJXSA-N 0 0 597.987 7.105 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccccc1)c(-c1ccccc1)c3-c1ccccc1)c1ccc(Br)cc1 ZINC000097968913 553934886 /nfs/dbraw/zinc/93/48/86/553934886.db2.gz GSXUEOJHOVSZGN-BKATUZMVSA-N 0 0 627.546 8.165 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000033355562 553935521 /nfs/dbraw/zinc/93/55/21/553935521.db2.gz FSASQJHKKURXKC-CRJKIWQRSA-N 0 0 615.630 5.712 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097968992 553935587 /nfs/dbraw/zinc/93/55/87/553935587.db2.gz OLWCYUNKNJKCCZ-JGCGQSQUSA-N 0 0 584.713 6.267 50 30 KKEARN O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000033355657 553936132 /nfs/dbraw/zinc/93/61/32/553936132.db2.gz XFRSXAFAHXIXAV-OLILMLBXSA-N 0 0 529.036 7.755 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969147 553936848 /nfs/dbraw/zinc/93/68/48/553936848.db2.gz YTHUMWWYMOGPCI-CRYYWNKWSA-N 0 0 556.640 6.200 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969146 553937040 /nfs/dbraw/zinc/93/70/40/553937040.db2.gz YTHUMWWYMOGPCI-XGCWNURASA-N 0 0 556.640 6.200 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969165 553937312 /nfs/dbraw/zinc/93/73/12/553937312.db2.gz LVGMFGYIHJAUCX-SSOJOUAXSA-N 0 0 574.655 5.689 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097969176 553937560 /nfs/dbraw/zinc/93/75/60/553937560.db2.gz LHNZIVSRQHGGMV-WJOKGBTCSA-N 0 0 604.684 7.046 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969207 553937719 /nfs/dbraw/zinc/93/77/19/553937719.db2.gz ZWQVZTWMCZGSOH-QJWGWKRISA-N 0 0 628.747 7.379 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000097969203 553937822 /nfs/dbraw/zinc/93/78/22/553937822.db2.gz WTGCFNDSZOAHIQ-XIFFEERXSA-N 0 0 577.806 9.072 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969222 553938232 /nfs/dbraw/zinc/93/82/32/553938232.db2.gz QXRKLODPIHWLMY-CHAGWJKLSA-N 0 0 591.085 6.853 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969252 553938680 /nfs/dbraw/zinc/93/86/80/553938680.db2.gz MPICMOCLCBGXDP-JMQGSBJISA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097969315 553939701 /nfs/dbraw/zinc/93/97/01/553939701.db2.gz XZHHXIZGMPCJTB-PMERELPUSA-N 0 0 550.611 5.852 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969344 553940248 /nfs/dbraw/zinc/94/02/48/553940248.db2.gz DNFMFETXZLXHDJ-VKGTZQKMSA-N 0 0 554.668 6.808 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969383 553940371 /nfs/dbraw/zinc/94/03/71/553940371.db2.gz ADUIMXAYCUMVKC-PMERELPUSA-N 0 0 614.720 7.045 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969380 553940441 /nfs/dbraw/zinc/94/04/41/553940441.db2.gz GPTABEQZTVNQGT-VOIUYBSRSA-N 0 0 562.644 5.523 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000097969408 553940851 /nfs/dbraw/zinc/94/08/51/553940851.db2.gz OFLQSTAUQGPUAC-SANMLTNESA-N 0 0 561.506 5.781 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097969444 553941164 /nfs/dbraw/zinc/94/11/64/553941164.db2.gz AKMIUCZCOXHYTQ-LJAQVGFWSA-N 0 0 565.626 5.226 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000097969518 553941905 /nfs/dbraw/zinc/94/19/05/553941905.db2.gz UWPKKUBQFYZDIS-CAQRMWTPSA-N 0 0 612.723 5.288 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097969530 553941927 /nfs/dbraw/zinc/94/19/27/553941927.db2.gz FOQOCPKLYJPGJE-JPZYQRIQSA-N 0 0 555.671 6.612 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000097969593 553942422 /nfs/dbraw/zinc/94/24/22/553942422.db2.gz BKPXUYWKGIQNJW-HKBQPEDESA-N 0 0 578.621 5.609 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969623 553942890 /nfs/dbraw/zinc/94/28/90/553942890.db2.gz FWCXPYNGIJJICV-KWMCUTETSA-N 0 0 604.725 6.728 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969613 553943021 /nfs/dbraw/zinc/94/30/21/553943021.db2.gz ASNGCVFDXRVYLD-MYUZEXMDSA-N 0 0 616.692 5.864 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969605 553943062 /nfs/dbraw/zinc/94/30/62/553943062.db2.gz OBKNOLUIEOMLTL-XHCCPWGMSA-N 0 0 602.709 6.326 50 30 KKEARN Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(F)c(Br)c3)C3=C2CC(C)(C)CC3=O)cc1C ZINC000033356700 553943583 /nfs/dbraw/zinc/94/35/83/553943583.db2.gz PPMMPZZTWODEJR-UHFFFAOYSA-N 0 0 550.512 8.095 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969713 553943756 /nfs/dbraw/zinc/94/37/56/553943756.db2.gz UQRHJUPLFOVOGR-CBZJRKILSA-N 0 0 556.640 6.118 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969669 553943784 /nfs/dbraw/zinc/94/37/84/553943784.db2.gz RDABOWVQNHDTEO-GKVSMKOHSA-N 0 0 576.671 5.913 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969717 553944221 /nfs/dbraw/zinc/94/42/21/553944221.db2.gz WVYNXMUDLDOHLB-LJAQVGFWSA-N 0 0 600.693 6.818 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969759 553944487 /nfs/dbraw/zinc/94/44/87/553944487.db2.gz YVYAOIAJNXIAIN-AFJIDDCJSA-N 0 0 568.695 7.136 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969768 553944609 /nfs/dbraw/zinc/94/46/09/553944609.db2.gz YCAFPLUGKBCWRC-SSEXGKCCSA-N 0 0 606.656 6.438 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969784 553944966 /nfs/dbraw/zinc/94/49/66/553944966.db2.gz QBRQTJXJXWANIU-OHWKKVTOSA-N 0 0 646.765 7.997 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969921 553946907 /nfs/dbraw/zinc/94/69/07/553946907.db2.gz DVIDBKNAHDZCTD-WHLCRQNOSA-N 0 0 632.735 6.478 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969906 553946939 /nfs/dbraw/zinc/94/69/39/553946939.db2.gz VVECYNPUMUNUOT-YRVHBCJASA-N 0 0 619.139 7.634 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969915 553946946 /nfs/dbraw/zinc/94/69/46/553946946.db2.gz YTFPWTVVRGOFTG-XHCCPWGMSA-N 0 0 602.709 6.470 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970021 553948187 /nfs/dbraw/zinc/94/81/87/553948187.db2.gz LIORHOOMLOGPNK-KWMCUTETSA-N 0 0 589.113 7.625 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970238 553951238 /nfs/dbraw/zinc/95/12/38/553951238.db2.gz XTJQPWARTJMKPI-ADSBAMQRSA-N 0 0 609.103 7.635 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970223 553951327 /nfs/dbraw/zinc/95/13/27/553951327.db2.gz BYRZQMYNSNSTJW-ADXZGYQBSA-N 0 0 584.694 6.836 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970260 553951537 /nfs/dbraw/zinc/95/15/37/553951537.db2.gz SCCQWLJYDLEKDJ-BGOLNKOXSA-N 0 0 588.685 7.290 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970253 553951741 /nfs/dbraw/zinc/95/17/41/553951741.db2.gz NYVFOLBPVSZCDS-ADSBAMQRSA-N 0 0 633.166 8.024 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970314 553952408 /nfs/dbraw/zinc/95/24/08/553952408.db2.gz PIXNNCFZLJJBGW-GFJKYASSSA-N 0 0 618.711 7.380 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970310 553952506 /nfs/dbraw/zinc/95/25/06/553952506.db2.gz YIWDSJGZLXQJHD-QYBDOPJKSA-N 0 0 590.698 6.304 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970324 553952553 /nfs/dbraw/zinc/95/25/53/553952553.db2.gz LTAASBYYFKPCPE-WWOZWPLTSA-N 0 0 624.715 6.738 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970357 553952957 /nfs/dbraw/zinc/95/29/57/553952957.db2.gz FEDSZVVEADCJKH-XRHLQHRESA-N 0 0 601.725 7.199 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970334 553953001 /nfs/dbraw/zinc/95/30/01/553953001.db2.gz NNGGFUBNPWOUDQ-DFXYEROKSA-N 0 0 582.722 7.588 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970380 553953205 /nfs/dbraw/zinc/95/32/05/553953205.db2.gz SQHOOHGSQFWUEC-PMERELPUSA-N 0 0 636.770 7.762 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970372 553953236 /nfs/dbraw/zinc/95/32/36/553953236.db2.gz HGPSLNGYSRVAEG-WXTAPIANSA-N 0 0 588.682 6.080 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970384 553953366 /nfs/dbraw/zinc/95/33/66/553953366.db2.gz KFECRSFUEKRBRF-CBZJRKILSA-N 0 0 556.640 6.037 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970371 553953383 /nfs/dbraw/zinc/95/33/83/553953383.db2.gz HGPSLNGYSRVAEG-QYBDOPJKSA-N 0 0 588.682 6.080 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970417 553953785 /nfs/dbraw/zinc/95/37/85/553953785.db2.gz UYTIXVIHQMTKSH-XRHLQHRESA-N 0 0 618.180 7.714 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970433 553954161 /nfs/dbraw/zinc/95/41/61/553954161.db2.gz PPYUXVQQZAKLRR-ODCWNRFASA-N 0 0 621.509 6.496 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097970457 553954185 /nfs/dbraw/zinc/95/41/85/553954185.db2.gz DVZQKZSZJCBIRD-YTTGMZPUSA-N 0 0 563.779 8.763 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970510 553954929 /nfs/dbraw/zinc/95/49/29/553954929.db2.gz IDCTYBZKGWSICG-DXPJPUQTSA-N 0 0 561.059 6.845 50 30 KKEARN CCOc1ccc2nc(Sc3ccc([C@@H]4Nc5ccc6ccccc6c5C5=C4C(=O)CC(C)(C)C5)o3)sc2c1 ZINC000033358390 553955133 /nfs/dbraw/zinc/95/51/33/553955133.db2.gz MLIULYNMOBXWNK-PMERELPUSA-N 0 0 552.721 8.902 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970521 553955520 /nfs/dbraw/zinc/95/55/20/553955520.db2.gz ZOZJOXPVHOSPKB-ACSYHNTCSA-N 0 0 622.699 6.480 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970536 553955583 /nfs/dbraw/zinc/95/55/83/553955583.db2.gz LVHQGMSWFNPGNZ-RKOGDMNLSA-N 0 0 572.639 5.819 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000033358440 553955688 /nfs/dbraw/zinc/95/56/88/553955688.db2.gz ROBLFUDGKWWUMO-WINIVTDRSA-N 0 0 616.574 6.220 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970570 553955970 /nfs/dbraw/zinc/95/59/70/553955970.db2.gz TUCLUXDKWNPQBZ-WRHNGFHOSA-N 0 0 589.113 7.481 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H](c1cccc(Br)c1)N2 ZINC000033358483 553956185 /nfs/dbraw/zinc/95/61/85/553956185.db2.gz GDMXUSFMEQZUCT-XJFCNFDWSA-N 0 0 549.468 7.660 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000033358544 553956548 /nfs/dbraw/zinc/95/65/48/553956548.db2.gz IBPCDTXODGFPRU-PMJCSSHISA-N 0 0 666.825 5.926 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970626 553956815 /nfs/dbraw/zinc/95/68/15/553956815.db2.gz WDBFLAWGLSOKPX-KEEVHDRGSA-N 0 0 598.721 7.289 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970655 553957140 /nfs/dbraw/zinc/95/71/40/553957140.db2.gz GLKKYFXQPVULNJ-PMERELPUSA-N 0 0 630.719 6.683 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970671 553957209 /nfs/dbraw/zinc/95/72/09/553957209.db2.gz VKINNUVWUPTWEM-KATKFWMUSA-N 0 0 632.738 7.607 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097970669 553957219 /nfs/dbraw/zinc/95/72/19/553957219.db2.gz KTWNVLFQHPDDMZ-PMERELPUSA-N 0 0 583.169 9.308 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970687 553957457 /nfs/dbraw/zinc/95/74/57/553957457.db2.gz GHPPAQVVACKCTE-JPZYQRIQSA-N 0 0 579.653 5.463 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097970683 553957545 /nfs/dbraw/zinc/95/75/45/553957545.db2.gz NYZUGZYVSKDJKD-SSEXGKCCSA-N 0 0 557.643 6.204 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970722 553957853 /nfs/dbraw/zinc/95/78/53/553957853.db2.gz JUJMHJHOPKWVAU-PKHCJMHPSA-N 0 0 628.747 7.379 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970727 553958032 /nfs/dbraw/zinc/95/80/32/553958032.db2.gz QVRWSTINTZPUET-GEFUHLBYSA-N 0 0 628.747 7.235 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097970780 553958601 /nfs/dbraw/zinc/95/86/01/553958601.db2.gz JAENGFYSVJIPAU-DCFHFQCYSA-N 0 0 515.610 5.054 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097970894 553959249 /nfs/dbraw/zinc/95/92/49/553959249.db2.gz QZZXOJKQLQKOKP-JGCGQSQUSA-N 0 0 598.224 9.417 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097970910 553959290 /nfs/dbraw/zinc/95/92/90/553959290.db2.gz AAHDFAYSAICKJK-NUKGLOKSSA-N 0 0 589.817 9.163 50 30 KKEARN CCc1ccc(Nc2ccccc2S(=O)(=O)C(=CNCc2ccc(C)cc2)C(=O)c2ccc(C)cc2C)cc1 ZINC000097970883 553959295 /nfs/dbraw/zinc/95/92/95/553959295.db2.gz LMSMCLZDAVOKIT-WEMUVCOSSA-N 0 0 538.713 7.206 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097970962 553959934 /nfs/dbraw/zinc/95/99/34/553959934.db2.gz MXPAMLPHAJMDDF-UVDDSOTQSA-N 0 0 555.671 6.409 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000097970984 553960205 /nfs/dbraw/zinc/96/02/05/553960205.db2.gz SHOFXJQHOOYZOW-PUAOIOHZSA-N 0 0 564.432 5.308 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097971010 553960285 /nfs/dbraw/zinc/96/02/85/553960285.db2.gz QSVVUXYLIFCXQN-FLASPHMUSA-N 0 0 575.661 6.766 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000097970983 553960324 /nfs/dbraw/zinc/96/03/24/553960324.db2.gz SHOFXJQHOOYZOW-LMKMVOKYSA-N 0 0 564.432 5.308 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971020 553960568 /nfs/dbraw/zinc/96/05/68/553960568.db2.gz YGUQMPGYUPUWJU-JGCGQSQUSA-N 0 0 582.741 6.172 50 30 KKEARN N#Cc1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000033516522 553961446 /nfs/dbraw/zinc/96/14/46/553961446.db2.gz WWPFIRXPOOIEIQ-PGMHBOJBSA-N 0 0 518.529 5.687 50 30 KKEARN CCCCCCCCOc1ccc(-c2nnc(-c3ccc(-n4c5cc(Br)ccc5c5ccc(Br)cc54)cc3)o2)cc1 ZINC000097971317 553962245 /nfs/dbraw/zinc/96/22/45/553962245.db2.gz XOYKETONPPHIKD-UHFFFAOYSA-N 0 0 673.449 10.765 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000097971885 553963585 /nfs/dbraw/zinc/96/35/85/553963585.db2.gz AQUAIMODUKITAJ-IZEXYCQBSA-N 0 0 541.644 7.073 50 30 biogenic KKEARN O=C1/C(=C\c2ccc(Br)cc2)CC(c2ccccc2)C/C1=C/c1ccc(Br)cc1 ZINC000033646660 553965746 /nfs/dbraw/zinc/96/57/46/553965746.db2.gz GDLYFTZHDXBHES-VMTNTFKOSA-N 0 0 508.253 7.825 50 30 KKEARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000033653755 553966343 /nfs/dbraw/zinc/96/63/43/553966343.db2.gz JLESMDBVBYCIDC-STZFKDTASA-N 0 0 519.557 5.406 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1O ZINC000097972369 553966906 /nfs/dbraw/zinc/96/69/06/553966906.db2.gz REVFAVMOCIBSCG-BMXMFTLKSA-N 0 0 552.288 6.472 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097976996 553973685 /nfs/dbraw/zinc/97/36/85/553973685.db2.gz RXRPWNNPSAGYHH-HSZRJFAPSA-N 0 0 530.993 7.860 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000097976993 553973726 /nfs/dbraw/zinc/97/37/26/553973726.db2.gz RBLPNDYOHGPUAL-LJQANCHMSA-N 0 0 524.282 8.504 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000033930639 553977146 /nfs/dbraw/zinc/97/71/46/553977146.db2.gz ILEIRHXDHMUTCQ-PGXOYOEPSA-N 0 0 510.030 6.061 50 30 KKEARN COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)CCCC4)cc1 ZINC000097979321 553978095 /nfs/dbraw/zinc/97/80/95/553978095.db2.gz PUFYLISGTQEJIO-UHFFFAOYSA-N 0 0 651.836 5.316 50 30 KKEARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c1C ZINC000097979371 553978818 /nfs/dbraw/zinc/97/88/18/553978818.db2.gz GQSJBKXDQKCSHM-UHFFFAOYSA-N 0 0 548.665 5.093 50 30 KKEARN COc1ccc(/C=C2/N=C(SCC(=O)Nc3cc(Cl)ccc3C#N)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000097979500 553980048 /nfs/dbraw/zinc/98/00/48/553980048.db2.gz HUNADTMYJSAYHK-DHRITJCHSA-N 0 0 531.037 5.953 50 30 KKEARN CC(C)c1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1ccc(Cl)cc1 ZINC000097979536 553980312 /nfs/dbraw/zinc/98/03/12/553980312.db2.gz KWFYQGZJMSAJTA-UHFFFAOYSA-N 0 0 637.231 6.693 50 30 KKEARN COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000097979695 553981408 /nfs/dbraw/zinc/98/14/08/553981408.db2.gz IPECJXMNADMARV-HRRCHGLFSA-N 0 0 559.666 7.060 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@@H](CC(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000097979875 553983395 /nfs/dbraw/zinc/98/33/95/553983395.db2.gz UFHWLRATZLTHKV-DZWLFIIDSA-N 0 0 651.785 6.989 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c4ccc(OCC)cc4)sc3C(C)(C)C2)cc1 ZINC000097980073 553984846 /nfs/dbraw/zinc/98/48/46/553984846.db2.gz GVIQEHQVJBHTIZ-BQYQJAHWSA-N 0 0 663.818 6.046 50 30 KKEARN CCCCCCCC(=O)c1ccc(OC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 ZINC000097980411 553988457 /nfs/dbraw/zinc/98/84/57/553988457.db2.gz WPLAFQWOCLSICJ-QQTULTPQSA-N 0 0 500.624 6.549 50 30 KKEARN O=c1c2c(-c3ccccc3)csc2nc2n1C/C(=N\Cc1ccc3c(c1)OCO3)N(Cc1ccc3c(c1)OCO3)C2 ZINC000097981161 553992334 /nfs/dbraw/zinc/99/23/34/553992334.db2.gz VYBKOZWFPNAELX-QVAGMWBUSA-N 0 0 564.623 5.197 50 30 KKEARN O=C(/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1)c1ccccc1 ZINC000097981398 553993773 /nfs/dbraw/zinc/99/37/73/553993773.db2.gz IOFAXQNATJLMFW-QQTULTPQSA-N 0 0 556.665 6.001 50 30 KKEARN COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000097981627 553995983 /nfs/dbraw/zinc/99/59/83/553995983.db2.gz GXLZCUSWQUZZGG-NTUHNPAUSA-N 0 0 545.579 5.974 50 30 KKEARN CCCOc1cc(Br)c(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1OCC ZINC000034782564 554004070 /nfs/dbraw/zinc/00/40/70/554004070.db2.gz UASUYRUQWJVMKX-UCQKPKSFSA-N 0 0 511.441 6.681 50 30 KKEARN O=C(Oc1ccccc1Oc1c(F)c(F)c(-c2c(F)c(F)c(Oc3ccccc3OC(=O)c3ccccc3)c(F)c2F)c(F)c1F)c1ccccc1 ZINC000097982951 554006580 /nfs/dbraw/zinc/00/65/80/554006580.db2.gz FNDPIAXYTJUYLD-UHFFFAOYSA-N 0 0 722.540 10.489 50 30 KKEARN C=C(C)C(=O)Oc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(OC(=O)C(=C)C)c4)c(F)c3F)c(F)c2F)c1 ZINC000097983013 554007001 /nfs/dbraw/zinc/00/70/01/554007001.db2.gz IHOORMSTPHSOQZ-UHFFFAOYSA-N 0 0 650.474 9.014 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000097983024 554007215 /nfs/dbraw/zinc/00/72/15/554007215.db2.gz YGFJZABZRTUSQV-AREMUKBSSA-N 0 0 579.122 9.355 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097983053 554007227 /nfs/dbraw/zinc/00/72/27/554007227.db2.gz UUPINHLLLBSPFU-RUZDIDTESA-N 0 0 610.092 8.955 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097983045 554007256 /nfs/dbraw/zinc/00/72/56/554007256.db2.gz GTNLITOUGXDZBP-RUZDIDTESA-N 0 0 690.991 9.652 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097983067 554007340 /nfs/dbraw/zinc/00/73/40/554007340.db2.gz ULIMOFOUXJUPOD-LJAQVGFWSA-N 0 0 556.062 10.326 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097983066 554007403 /nfs/dbraw/zinc/00/74/03/554007403.db2.gz JIULYQVRGWPRKJ-RUZDIDTESA-N 0 0 584.898 9.935 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097983064 554007456 /nfs/dbraw/zinc/00/74/56/554007456.db2.gz RQJHTHUJLRCRFZ-RUZDIDTESA-N 0 0 584.898 9.935 50 30 KKEARN O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Oc2c(F)c(F)c(Oc3ccc(C(=O)Nc4ccc(OC(F)F)cc4)cc3)c(F)c2F)cc1 ZINC000097983260 554008231 /nfs/dbraw/zinc/00/82/31/554008231.db2.gz SJWDJBAKTOLULJ-UHFFFAOYSA-N 0 0 704.526 9.535 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Br)cc2)c1[P@@](=O)(Nc1ccc(Br)cc1)N(C(C)C)C(C)C ZINC000097984274 554014998 /nfs/dbraw/zinc/01/49/98/554014998.db2.gz KTOCSYMSMOQFKP-DIPNUNPCSA-N 0 0 650.356 6.932 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1CC=C ZINC000097986410 554024094 /nfs/dbraw/zinc/02/40/94/554024094.db2.gz YEMZLGIJAQJUIT-UHFFFAOYSA-N 0 0 585.542 6.165 50 30 KKEARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000097986928 554026375 /nfs/dbraw/zinc/02/63/75/554026375.db2.gz UICVZYSBVZJTQM-PKTZIBPZSA-N 0 0 528.055 5.183 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccncc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987831 554027495 /nfs/dbraw/zinc/02/74/95/554027495.db2.gz SLIULMJRTZDJGG-NRFANRHFSA-N 0 0 520.408 5.854 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1 ZINC000035104582 554034728 /nfs/dbraw/zinc/03/47/28/554034728.db2.gz VSAJUIGHSSSBBS-UHFFFAOYSA-N 0 0 512.031 5.688 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)C2=CC(=O)N3C(=NC(c4ccccc4)=C(C(=O)OCC)[C@@H]3c3cccc(OC)c3)S2)cc1 ZINC000097995814 554037871 /nfs/dbraw/zinc/03/78/71/554037871.db2.gz NTCAIJSKAVXSRQ-LJAQVGFWSA-N 0 0 611.676 6.005 50 30 KKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1c2ccccc2cc2ccccc21 ZINC000097996975 554038942 /nfs/dbraw/zinc/03/89/42/554038942.db2.gz XHTIGFPTVVNHMA-JPIUDJJYSA-N 0 0 528.655 9.245 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000097997059 554039579 /nfs/dbraw/zinc/03/95/79/554039579.db2.gz WXSHPDNBOGVQMM-UMSFTDKQSA-N 0 0 593.849 9.000 50 30 biogenic KKEARN CCCCCCCCOC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000097998504 554041746 /nfs/dbraw/zinc/04/17/46/554041746.db2.gz XMMKXHKBRBKHAG-UHFFFAOYSA-N 0 0 504.631 5.944 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000097999489 554043426 /nfs/dbraw/zinc/04/34/26/554043426.db2.gz WQXOZFWSVBEZPH-JDXGNMNLSA-N 0 0 646.851 9.847 50 30 KKEARN COc1ccc(/C=N/N2C(=O)[C@H]3Cc4c([nH]c5ccccc54)CN3[C@H]2c2ccc(Br)cc2)cc1 ZINC000035361890 554044325 /nfs/dbraw/zinc/04/43/25/554044325.db2.gz UBFUERLDUUKILE-CCZMGSLPSA-N 0 0 515.411 5.241 50 30 biogenic KKEARN CSCC[C@@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000097999697 554045310 /nfs/dbraw/zinc/04/53/10/554045310.db2.gz YBMGXGGVFKRIEM-HKBQPEDESA-N 0 0 610.739 7.098 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000097999727 554045384 /nfs/dbraw/zinc/04/53/84/554045384.db2.gz VFAOANYDHBAZJF-JPQMRUPTSA-N 0 0 632.385 9.279 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000097999713 554045391 /nfs/dbraw/zinc/04/53/91/554045391.db2.gz PJQKEAVALDQDKG-SUAMDDGLSA-N 0 0 679.390 6.317 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999807 554046212 /nfs/dbraw/zinc/04/62/12/554046212.db2.gz PJFQQNJBNZRYTK-ZTUXGFDNSA-N 0 0 623.149 8.247 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999900 554046738 /nfs/dbraw/zinc/04/67/38/554046738.db2.gz NJWBJSXLEHEPKW-ZSQPVGNWSA-N 0 0 655.622 9.528 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098000193 554049278 /nfs/dbraw/zinc/04/92/78/554049278.db2.gz FTJCXRGRUGDRIP-GPNASLBKSA-N 0 0 553.489 8.516 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000098000299 554049887 /nfs/dbraw/zinc/04/98/87/554049887.db2.gz QMERTYJTNFDTKD-KWXDVARASA-N 0 0 570.733 8.136 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000098000312 554050149 /nfs/dbraw/zinc/05/01/49/554050149.db2.gz KFHIYXQKPYEBNI-JADSYQMUSA-N 0 0 556.662 6.925 50 30 KKEARN O=C(COc1ccc2ccccc2c1)NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000098000357 554050473 /nfs/dbraw/zinc/05/04/73/554050473.db2.gz DMBHLLLJHGRIGT-UHFFFAOYSA-N 0 0 574.658 5.791 50 30 KKEARN CCCCC1CCC(c2noc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)n2)CC1 ZINC000098000408 554050928 /nfs/dbraw/zinc/05/09/28/554050928.db2.gz SEUGHKPGWGLSSV-UHFFFAOYSA-N 0 0 552.428 8.761 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000098000440 554051228 /nfs/dbraw/zinc/05/12/28/554051228.db2.gz BRSSBCOAXACMIP-SSEXGKCCSA-N 0 0 686.271 10.560 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000098003604 554055439 /nfs/dbraw/zinc/05/54/39/554055439.db2.gz DJHLSSKVULWYMZ-CRKOEVGVSA-N 0 0 704.914 12.279 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000098003651 554055747 /nfs/dbraw/zinc/05/57/47/554055747.db2.gz DIGWGDPLQSYITM-HOYUZMNJSA-N 0 0 627.568 8.892 50 30 KKEARN COc1cc(S(=O)(=O)O[C@]2(c3ccc(C(F)(F)F)cc3)Nc3ccccc3N2S(=O)(=O)c2ccc(Cl)c(OC)c2)ccc1Cl ZINC000098005062 554056484 /nfs/dbraw/zinc/05/64/84/554056484.db2.gz LXLBGMZSUBWFJD-MUUNZHRXSA-N 0 0 689.517 6.866 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000098005260 554058061 /nfs/dbraw/zinc/05/80/61/554058061.db2.gz DKNXMFSDQDEOII-WJOKGBTCSA-N 0 0 572.488 8.684 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccccc1F ZINC000098006003 554060301 /nfs/dbraw/zinc/06/03/01/554060301.db2.gz NQZLTHAWSUQUPW-KRWDZBQOSA-N 0 0 528.074 6.787 50 30 KKEARN COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000098006170 554060858 /nfs/dbraw/zinc/06/08/58/554060858.db2.gz NVBDZFAMFPVEMC-VWLOTQADSA-N 0 0 554.924 5.217 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)cc4)C3)[C@@H]1c1ccccc1)CCCC2 ZINC000098006176 554060893 /nfs/dbraw/zinc/06/08/93/554060893.db2.gz LFLVAYACCIXUOT-KPURRNSFSA-N 0 0 582.722 6.422 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000098006205 554060907 /nfs/dbraw/zinc/06/09/07/554060907.db2.gz RNLPACHXJPNEMW-GOSISDBHSA-N 0 0 560.579 6.285 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000035586342 554061482 /nfs/dbraw/zinc/06/14/82/554061482.db2.gz ZCQRRZGRMVXLCX-UHFFFAOYSA-N 0 0 507.681 5.659 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1cccs1)N1CCOCC1 ZINC000035671651 554062611 /nfs/dbraw/zinc/06/26/11/554062611.db2.gz QGXRTIUILFNGSO-DEOSSOPVSA-N 0 0 521.042 5.993 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000098007910 554064817 /nfs/dbraw/zinc/06/48/17/554064817.db2.gz YUFTXJZDUDGNRJ-OSOCVKALSA-N 0 0 537.584 5.745 50 30 KKEARN N#Cc1ccc(NC(=O)Nc2ccc(N3CCc4ccccc4C3)c(C(=O)NCCc3ccccc3)c2)cc1 ZINC000035723048 554067359 /nfs/dbraw/zinc/06/73/59/554067359.db2.gz XZPRQWALYUSQPX-UHFFFAOYSA-N 0 0 515.617 5.737 50 30 KKEARN C=CCn1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc2c1cccc2OCc1cccc(C)c1 ZINC000035908476 554093169 /nfs/dbraw/zinc/09/31/69/554093169.db2.gz DGQAURALGQNANP-NTEUORMPSA-N 0 0 505.662 6.186 50 30 KKEARN Cc1cc(-c2c(C)nc3c(OCc4ccc(C#N)cc4)cccn3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035911409 554094868 /nfs/dbraw/zinc/09/48/68/554094868.db2.gz DHCZTBKTZRYAKJ-UHFFFAOYSA-N 0 0 516.388 5.922 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000035913050 554097018 /nfs/dbraw/zinc/09/70/18/554097018.db2.gz ZWACNLIJRQNJHX-WVMBUTMQSA-N 0 0 512.400 5.126 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1)[C@@H](C)c1ccccc1 ZINC000098016760 554103503 /nfs/dbraw/zinc/10/35/03/554103503.db2.gz ARIPOXOUCIPRHQ-NRFANRHFSA-N 0 0 536.698 6.603 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)Cc1ccco1 ZINC000098016797 554103775 /nfs/dbraw/zinc/10/37/75/554103775.db2.gz AKAAKNMBRRWGHB-UHFFFAOYSA-N 0 0 526.681 7.240 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)Cc1ccco1 ZINC000098016912 554104739 /nfs/dbraw/zinc/10/47/39/554104739.db2.gz ORIVHEJNKBNJPR-UHFFFAOYSA-N 0 0 512.654 6.850 50 30 KKEARN CCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)CCc1ccc(OC)c(OC)c1 ZINC000098016987 554105274 /nfs/dbraw/zinc/10/52/74/554105274.db2.gz XLVHXJLNQUNHRO-UHFFFAOYSA-N 0 0 568.740 5.991 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000035973760 554114836 /nfs/dbraw/zinc/11/48/36/554114836.db2.gz MHANWIIDIMKKSF-SROSBETESA-N 0 0 503.595 5.324 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Br)cc1 ZINC000098036830 554121158 /nfs/dbraw/zinc/12/11/58/554121158.db2.gz SFWWHBRMIXKFCW-AOMKIAJQSA-N 0 0 518.436 5.948 50 30 KKEARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000098043129 554124938 /nfs/dbraw/zinc/12/49/38/554124938.db2.gz XTNPGFHCWIKETN-UHFFFAOYSA-N 0 0 589.436 6.759 50 30 KKEARN CC(C)C[C@@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)N1C(=O)c2ccccc2C1=O ZINC000098043286 554126425 /nfs/dbraw/zinc/12/64/25/554126425.db2.gz WQJVVEFQXVQWPL-PMERELPUSA-N 0 0 582.660 6.984 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000098044514 554128887 /nfs/dbraw/zinc/12/88/87/554128887.db2.gz ONHFBXSJZAQJQH-GDLZYMKVSA-N 0 0 530.571 6.159 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000098044512 554128972 /nfs/dbraw/zinc/12/89/72/554128972.db2.gz HMRCLSWYBFRGMV-QFIPXVFZSA-N 0 0 540.458 6.441 50 30 KKEARN CC(C)(C)c1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000098045051 554130307 /nfs/dbraw/zinc/13/03/07/554130307.db2.gz WJWYWIMJKJZWTI-HKBQPEDESA-N 0 0 550.743 8.440 50 30 KKEARN CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCCCCCC)cn3)cc2)cc1F ZINC000098045146 554130967 /nfs/dbraw/zinc/13/09/67/554130967.db2.gz ISNKZHFZOSZMED-UHFFFAOYSA-N 0 0 531.800 11.367 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098045521 554132115 /nfs/dbraw/zinc/13/21/15/554132115.db2.gz VUUKKIBGXQADFA-COOREUGTSA-N 0 0 620.702 6.944 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(F)c1 ZINC000098045737 554133442 /nfs/dbraw/zinc/13/34/42/554133442.db2.gz KKXOZFBRYFNWLD-UHFFFAOYSA-N 0 0 543.595 5.380 50 30 KKEARN CC[C@@H](Sc1nnc2c3cc(Br)ccc3n(C)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000098045890 554134365 /nfs/dbraw/zinc/13/43/65/554134365.db2.gz LWQQJENCWQBILI-QGZVFWFLSA-N 0 0 541.500 5.600 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000098046549 554140619 /nfs/dbraw/zinc/14/06/19/554140619.db2.gz XKTRGVOYIWZGJH-SSEXGKCCSA-N 0 0 539.628 6.831 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000098046573 554140764 /nfs/dbraw/zinc/14/07/64/554140764.db2.gz MIIFRHIUGLJXPN-MUUNZHRXSA-N 0 0 544.604 5.065 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046579 554141255 /nfs/dbraw/zinc/14/12/55/554141255.db2.gz LLRMECAQOIGFSV-MUUNZHRXSA-N 0 0 544.604 5.209 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046704 554142711 /nfs/dbraw/zinc/14/27/11/554142711.db2.gz HTTHFQXPMGCBCQ-DHUJRADRSA-N 0 0 596.683 7.327 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)ccc1OCCC(C)C ZINC000098046908 554145041 /nfs/dbraw/zinc/14/50/41/554145041.db2.gz CTWNONKMLXZFES-UHFFFAOYSA-N 0 0 548.030 7.757 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccccc1F ZINC000036040465 554149286 /nfs/dbraw/zinc/14/92/86/554149286.db2.gz GNVHZRIYAQMRNZ-UHFFFAOYSA-N 0 0 521.536 5.178 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1cccc(OC)c1 ZINC000036048128 554153852 /nfs/dbraw/zinc/15/38/52/554153852.db2.gz HVYUJMKXTAMQOR-UHFFFAOYSA-N 0 0 508.622 5.938 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000098047689 554154364 /nfs/dbraw/zinc/15/43/64/554154364.db2.gz CNRUIVRHCXUUMJ-JOCHJYFZSA-N 0 0 534.827 5.911 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047820 554156627 /nfs/dbraw/zinc/15/66/27/554156627.db2.gz YPMULERVIFRSPM-LJAQVGFWSA-N 0 0 623.756 7.346 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047819 554156732 /nfs/dbraw/zinc/15/67/32/554156732.db2.gz YPMULERVIFRSPM-GDLZYMKVSA-N 0 0 623.756 7.346 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047989 554158349 /nfs/dbraw/zinc/15/83/49/554158349.db2.gz WJVDFKQPGOFNKY-MYYSRTQBSA-N 0 0 530.602 5.325 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccccc1F ZINC000036052534 554158491 /nfs/dbraw/zinc/15/84/91/554158491.db2.gz FJEKLCOXHGCGCG-UHFFFAOYSA-N 0 0 518.976 5.607 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048042 554158883 /nfs/dbraw/zinc/15/88/83/554158883.db2.gz MTZASBOPPMJIGY-DXPJPUQTSA-N 0 0 544.604 6.331 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048034 554158928 /nfs/dbraw/zinc/15/89/28/554158928.db2.gz LDIYODTUFLGRMW-PWECECGKSA-N 0 0 546.576 5.646 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048056 554159153 /nfs/dbraw/zinc/15/91/53/554159153.db2.gz RRNKGJXSCWJHCO-HAWMADMCSA-N 0 0 560.603 5.949 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048048 554159254 /nfs/dbraw/zinc/15/92/54/554159254.db2.gz XHOUYEFJMAJKSB-XDBZFTIUSA-N 0 0 572.658 6.967 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](c3ccc(Cl)cc3)N3CCCCC3)[C@@H]2c2ccccc2F)cc1 ZINC000098048190 554160555 /nfs/dbraw/zinc/16/05/55/554160555.db2.gz PTJHTVUEJJBJII-IXCJQBJRSA-N 0 0 533.043 6.593 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)c1 ZINC000098050104 554172023 /nfs/dbraw/zinc/17/20/23/554172023.db2.gz HFIDCBGTWIIXPJ-MHZLTWQESA-N 0 0 539.588 5.585 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc(OC)ccc3OC)C3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050118 554172358 /nfs/dbraw/zinc/17/23/58/554172358.db2.gz FSKDRJWDQJYJQR-LJAQVGFWSA-N 0 0 582.653 5.741 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000098050149 554172596 /nfs/dbraw/zinc/17/25/96/554172596.db2.gz GWZIUTNHKDLYIB-SLQAJWMNSA-N 0 0 526.430 7.384 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000098050345 554173927 /nfs/dbraw/zinc/17/39/27/554173927.db2.gz ATHCKGPPIMQGDJ-DEOSSOPVSA-N 0 0 560.672 6.192 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000098050395 554174348 /nfs/dbraw/zinc/17/43/48/554174348.db2.gz GHQKALYPFGWGPK-AVRWGWEMSA-N 0 0 536.669 7.057 50 30 KKEARN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N(CC)CC)c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000098050372 554174356 /nfs/dbraw/zinc/17/43/56/554174356.db2.gz NAGPEELNXLWGNH-UHFFFAOYSA-N 0 0 665.985 10.184 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000098050603 554175528 /nfs/dbraw/zinc/17/55/28/554175528.db2.gz BLBSDZHGUHNBHE-YTTGMZPUSA-N 0 0 567.682 6.500 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000100014420 554181301 /nfs/dbraw/zinc/18/13/01/554181301.db2.gz SAMRUMKYXPVKPA-LOIHPRHOSA-N 0 0 565.796 5.615 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(C)c1 ZINC000036116388 554181557 /nfs/dbraw/zinc/18/15/57/554181557.db2.gz FDHGJIDAZQQKCR-VWLOTQADSA-N 0 0 509.071 5.852 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(F)cc1 ZINC000036117105 554183995 /nfs/dbraw/zinc/18/39/95/554183995.db2.gz HLCAVIFOVYWMLW-AREMUKBSSA-N 0 0 506.643 5.844 50 30 KKEARN Brc1ccc(C=Nc2ccc(-c3nc4cc(N=Cc5ccc(Br)cc5)ccc4[nH]3)cc2)cc1 ZINC000100028482 554184122 /nfs/dbraw/zinc/18/41/22/554184122.db2.gz FTOFMEFRYAZGJI-FWWKHMOUSA-N 0 0 558.277 8.256 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)c1cccc(Cl)c1 ZINC000036119318 554187530 /nfs/dbraw/zinc/18/75/30/554187530.db2.gz UXHALBHZSDWMKF-DEOSSOPVSA-N 0 0 509.071 5.852 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000100036352 554190903 /nfs/dbraw/zinc/19/09/03/554190903.db2.gz APBZPSJXVITHGN-LPHFKDDMSA-N 0 0 535.419 6.194 50 30 KKEARN FC(F)(F)C(OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100040100 554191991 /nfs/dbraw/zinc/19/19/91/554191991.db2.gz MJOVEPJSFHDSOJ-UHFFFAOYSA-N 0 0 532.058 6.743 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000100041762 554192609 /nfs/dbraw/zinc/19/26/09/554192609.db2.gz KHDRJZFFGXPYQB-OPEKNORGSA-N 0 0 517.419 6.993 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5ccc6ccccc6c5)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000100044837 554193292 /nfs/dbraw/zinc/19/32/92/554193292.db2.gz HZPSYGDDJKGLIJ-FDAWAROLSA-N 0 0 530.496 8.007 50 30 KKEARN Cc1ccccc1-c1nc2cc(/N=C/c3ccc(/C=N/c4ccc5oc(-c6ccccc6C)nc5c4)cc3)ccc2o1 ZINC000100046374 554193765 /nfs/dbraw/zinc/19/37/65/554193765.db2.gz FIEPNNRMUOQRCK-DITNJDIQSA-N 0 0 546.630 9.421 50 30 KKEARN Cc1cccc2oc(-c3cccc(/N=C/c4ccc(/C=N/c5cccc(-c6nc7c(cccc7C)o6)c5)cc4)c3)nc21 ZINC000100046971 554193778 /nfs/dbraw/zinc/19/37/78/554193778.db2.gz DZVXHJHYTPWORM-DITNJDIQSA-N 0 0 546.630 9.421 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 ZINC000100048831 554194065 /nfs/dbraw/zinc/19/40/65/554194065.db2.gz YDQLECBCTASDOZ-UHFFFAOYSA-N 0 0 555.828 10.582 50 30 KKEARN FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000100048663 554194113 /nfs/dbraw/zinc/19/41/13/554194113.db2.gz AVSJNFOUJLIQJM-UHFFFAOYSA-N 0 0 502.048 5.649 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100052660 554194831 /nfs/dbraw/zinc/19/48/31/554194831.db2.gz BKVJIUUTHQKBGC-PRAQEBQASA-N 0 0 540.019 7.548 50 30 KKEARN O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100058442 554197343 /nfs/dbraw/zinc/19/73/43/554197343.db2.gz QENPINPIPPNPQJ-BOTKPODPSA-N 0 0 541.470 7.837 50 30 KKEARN Cc1nnc(Sc2ccc(/C=N/c3ccc4nc(SCC(=O)Nc5ccccc5F)sc4c3)cc2[N+](=O)[O-])s1 ZINC000100070291 554200944 /nfs/dbraw/zinc/20/09/44/554200944.db2.gz FVASBHSHHKXABM-KKMKTNMSSA-N 0 0 596.716 7.136 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1O ZINC000100074907 554203793 /nfs/dbraw/zinc/20/37/93/554203793.db2.gz REVFAVMOCIBSCG-CCMFZTNCSA-N 0 0 552.288 6.472 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100077112 554204802 /nfs/dbraw/zinc/20/48/02/554204802.db2.gz MMUCCILRDZSCPY-KBMIEXCESA-N 0 0 560.941 6.760 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100077353 554205115 /nfs/dbraw/zinc/20/51/15/554205115.db2.gz LVIKTNZIOJIHFG-OOOSNSGVSA-N 0 0 551.683 6.979 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100079613 554206025 /nfs/dbraw/zinc/20/60/25/554206025.db2.gz AZFAUORCPLFXHF-PPHZAIPVSA-N 0 0 566.492 6.401 50 30 biogenic,in-vitro KKEARN O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000100080180 554206438 /nfs/dbraw/zinc/20/64/38/554206438.db2.gz GOJRITUCYAHKSA-PHEQNACWSA-N 0 0 560.450 6.480 50 30 KKEARN O=C1C[C@@H](SC(=NCc2ccc3c(c2)OCO3)Nc2ccccc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000100091722 554211905 /nfs/dbraw/zinc/21/19/05/554211905.db2.gz WHQZDHACDZYYDL-JOCHJYFZSA-N 0 0 559.978 5.426 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100105650 554220558 /nfs/dbraw/zinc/22/05/58/554220558.db2.gz AEJQFNRIBJBSNP-LCOYAIQXSA-N 0 0 550.414 6.668 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100107068 554220742 /nfs/dbraw/zinc/22/07/42/554220742.db2.gz BHIVQWMVVKHTBD-HFBYFEGMSA-N 0 0 560.022 6.066 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000100109935 554221161 /nfs/dbraw/zinc/22/11/61/554221161.db2.gz FWIODRQTOLXIMU-SHZDRDKFSA-N 0 0 568.717 8.396 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100109122 554221203 /nfs/dbraw/zinc/22/12/03/554221203.db2.gz ZEWOTHUWDYZESA-AUEMQQPVSA-N 0 0 574.005 5.802 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000100110676 554221548 /nfs/dbraw/zinc/22/15/48/554221548.db2.gz OAXJUHBLHWMNCN-GSFTWEQGSA-N 0 0 578.012 6.205 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000100110679 554221600 /nfs/dbraw/zinc/22/16/00/554221600.db2.gz OAXJUHBLHWMNCN-AIAZDZNISA-N 0 0 578.012 6.205 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000100110967 554221818 /nfs/dbraw/zinc/22/18/18/554221818.db2.gz IGKNWNOTPATKLL-WRQBUUCKSA-N 0 0 564.441 6.711 50 30 KKEARN O=C(COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)NCCc1ccccc1 ZINC000100123335 554224724 /nfs/dbraw/zinc/22/47/24/554224724.db2.gz HSCKVQDTJBYZMJ-LIJWJGRDSA-N 0 0 533.653 6.233 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000036522117 554225080 /nfs/dbraw/zinc/22/50/80/554225080.db2.gz DGBNNMDNKOMCBQ-HHHXNRCGSA-N 0 0 520.069 7.741 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000100143001 554229130 /nfs/dbraw/zinc/22/91/30/554229130.db2.gz TZQBKHSQDKKAEH-PLTNMMHCSA-N 0 0 535.600 6.903 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000100143007 554229164 /nfs/dbraw/zinc/22/91/64/554229164.db2.gz TZQBKHSQDKKAEH-PKHCJMHPSA-N 0 0 535.600 6.903 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100144674 554230049 /nfs/dbraw/zinc/23/00/49/554230049.db2.gz COQMSMNEFKXEOR-IMEPGBNMSA-N 0 0 591.686 5.440 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100144540 554230162 /nfs/dbraw/zinc/23/01/62/554230162.db2.gz OANZZQVRFALXDM-PGWWVJEZSA-N 0 0 538.069 5.950 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151424 554231830 /nfs/dbraw/zinc/23/18/30/554231830.db2.gz XMJJRARVBBLPAY-FXVJXKIMSA-N 0 0 622.615 6.372 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000100155850 554232853 /nfs/dbraw/zinc/23/28/53/554232853.db2.gz DIVFRPOIEQMGFV-HDYLNDSGSA-N 0 0 591.035 5.235 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158172 554233525 /nfs/dbraw/zinc/23/35/25/554233525.db2.gz UWJOIWMHWFMGHW-ZKMPZPQNSA-N 0 0 577.464 5.740 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158163 554233536 /nfs/dbraw/zinc/23/35/36/554233536.db2.gz SMIBKTSINAPKCD-PZUNEJSGSA-N 0 0 543.019 5.087 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F ZINC000100160327 554234358 /nfs/dbraw/zinc/23/43/58/554234358.db2.gz KNLOUNUTRYARCH-DNRSQYFGSA-N 0 0 624.587 5.600 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100160246 554234366 /nfs/dbraw/zinc/23/43/66/554234366.db2.gz LFIDVVLGZFQXDM-MUEKUWCCSA-N 0 0 583.703 5.268 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100162443 554235240 /nfs/dbraw/zinc/23/52/40/554235240.db2.gz SFBIGGSKRXCZBG-DMTNHVFBSA-N 0 0 624.587 5.600 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000100171861 554238297 /nfs/dbraw/zinc/23/82/97/554238297.db2.gz JUZBEWOKLQXTOU-WDJPJFJCSA-N 0 0 611.547 6.582 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100173579 554239545 /nfs/dbraw/zinc/23/95/45/554239545.db2.gz TYQCXWAIUXIFPV-GVXSCFBNSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100173583 554239605 /nfs/dbraw/zinc/23/96/05/554239605.db2.gz TYQCXWAIUXIFPV-IEZKXTBUSA-N 0 0 560.647 5.414 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100173302 554239615 /nfs/dbraw/zinc/23/96/15/554239615.db2.gz NOSSBDDYNBAHAN-KWOQKUFVSA-N 0 0 583.493 5.802 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3cccc(Br)c3)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100194795 554245855 /nfs/dbraw/zinc/24/58/55/554245855.db2.gz JMMMMCAMNFPSDK-FBHDLOMBSA-N 0 0 571.365 5.958 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100205483 554248066 /nfs/dbraw/zinc/24/80/66/554248066.db2.gz UBELNPLTMRQLGV-UHFFFAOYSA-N 0 0 613.976 8.480 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000100208053 554248330 /nfs/dbraw/zinc/24/83/30/554248330.db2.gz NOOOFRORDNSCQH-UHFFFAOYSA-N 0 0 579.531 7.827 50 30 KKEARN C=CCc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(OC)c1OCc1ccccc1C#N ZINC000100215066 554249738 /nfs/dbraw/zinc/24/97/38/554249738.db2.gz UIZSQYHIRJDKLY-MUUNZHRXSA-N 0 0 532.596 5.616 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100215175 554249745 /nfs/dbraw/zinc/24/97/45/554249745.db2.gz IPLPTRHERFQMFD-VFPKNACXSA-N 0 0 580.106 6.118 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100215378 554250045 /nfs/dbraw/zinc/25/00/45/554250045.db2.gz UFRNTVAYABVTMS-AREMUKBSSA-N 0 0 526.545 5.314 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000100215424 554250077 /nfs/dbraw/zinc/25/00/77/554250077.db2.gz PBJDNQQNVOGWFH-DEOSSOPVSA-N 0 0 534.381 5.909 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000100215478 554250084 /nfs/dbraw/zinc/25/00/84/554250084.db2.gz UZXDXXACOFSUNW-VWLOTQADSA-N 0 0 536.411 6.322 50 30 KKEARN C=CCc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(OCC)c1OCc1ccccc1C#N ZINC000100215805 554250270 /nfs/dbraw/zinc/25/02/70/554250270.db2.gz VQRMZKAGLCJQTF-LJAQVGFWSA-N 0 0 546.623 6.006 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100217178 554250970 /nfs/dbraw/zinc/25/09/70/554250970.db2.gz MGHLAILJOFWWKB-ZZYMYVOLSA-N 0 0 629.657 6.102 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000100228082 554254069 /nfs/dbraw/zinc/25/40/69/554254069.db2.gz OZWXYTFSPARDOQ-MYKKPKGFSA-N 0 0 596.434 5.722 50 30 KKEARN CC(NC1CCCCC1)=C(C(=O)Nc1ccccc1)C(NC(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000100230025 554255511 /nfs/dbraw/zinc/25/55/11/554255511.db2.gz MMUHYLJWUOGYJV-OYBXHTDESA-N 0 0 541.536 6.637 50 30 KKEARN COc1ccc(C(=O)NC(C(C(=O)Nc2ccccc2)=C(C)NCc2ccco2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000100230018 554255615 /nfs/dbraw/zinc/25/56/15/554255615.db2.gz FIRCSRYUKHLKRW-LRZGELKZSA-N 0 0 555.475 5.797 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccccc1F ZINC000100232001 554257259 /nfs/dbraw/zinc/25/72/59/554257259.db2.gz FBSVAPHRODYBBL-UHFFFAOYSA-N 0 0 552.086 7.430 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000100236178 554258343 /nfs/dbraw/zinc/25/83/43/554258343.db2.gz NDOXERREIHIFJT-NIQULKJQSA-N 0 0 588.689 7.719 50 30 KKEARN CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100241710 554260714 /nfs/dbraw/zinc/26/07/14/554260714.db2.gz CKOVNHQXOXCNQX-AZYSCILLSA-N 0 0 504.380 6.030 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000100253179 554263520 /nfs/dbraw/zinc/26/35/20/554263520.db2.gz DKBUESZEXIZHLP-LPYMAVHISA-N 0 0 540.395 5.837 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3cc(I)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000100260253 554265247 /nfs/dbraw/zinc/26/52/47/554265247.db2.gz ORJXHZPMXHECMQ-YVQDBNNVSA-N 0 0 538.407 5.274 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC ZINC000100268805 554268485 /nfs/dbraw/zinc/26/84/85/554268485.db2.gz SQFUAHSQPFODCH-ITYLOYPMSA-N 0 0 552.117 6.936 50 30 KKEARN Fc1c(F)c(F)c(N=NCc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(F)c1F ZINC000100305966 554294149 /nfs/dbraw/zinc/29/41/49/554294149.db2.gz ZVEGPCCMQBRQTO-HBRQFSJYSA-N 0 0 540.113 7.476 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000100307558 554296068 /nfs/dbraw/zinc/29/60/68/554296068.db2.gz PXHYSMRTAIGKCJ-RAWKODRKSA-N 0 0 562.670 5.462 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCC[C@H](c2ccccc2)[C@H]2CC[C@@]3(CCCO3)[C@@]3(CCCO3)C2=O)cc1 ZINC000043763041 554299482 /nfs/dbraw/zinc/29/94/82/554299482.db2.gz DBZRILPBXJYMDR-PPTZAKONSA-N 0 0 512.668 5.342 50 30 KKEARN CCOC(=O)[C@@H](S)Cc1ccc(OC[C@@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1 ZINC000044126511 554301291 /nfs/dbraw/zinc/30/12/91/554301291.db2.gz QZUSUWOXZPFSTN-GMCHKSTQSA-N 0 0 534.718 6.758 50 30 KKEARN COc1cc(/C=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(I)cc1 ZINC000100313374 554301828 /nfs/dbraw/zinc/30/18/28/554301828.db2.gz OIDQRBDWUYIXFN-UMCVIYGXSA-N 0 0 630.592 7.817 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(c2c(F)c(F)c([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c(F)c2F)C1 ZINC000044460049 554302511 /nfs/dbraw/zinc/30/25/11/554302511.db2.gz WOBOHAUGVJYBLL-QRYFSLSHSA-N 0 0 536.613 8.188 50 30 KKEARN COc1cc(/C=C2\CC/C(=C/c3cc(OC)c(OC(C)C)cc3Br)C2=O)c(Br)cc1OC(C)C ZINC000100320059 554304511 /nfs/dbraw/zinc/30/45/11/554304511.db2.gz PZPMHYPPGULAQA-BUOZRGFLSA-N 0 0 594.340 7.633 50 30 KKEARN COc1cc(/C=C2/CC/C(=C/c3cc(OC)c(OC(C)C)cc3Br)C2=O)c(Br)cc1OC(C)C ZINC000100320065 554304514 /nfs/dbraw/zinc/30/45/14/554304514.db2.gz PZPMHYPPGULAQA-XFQWXJFMSA-N 0 0 594.340 7.633 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000100322103 554306371 /nfs/dbraw/zinc/30/63/71/554306371.db2.gz LVLFNBKPDPHTTK-YDZHTSKRSA-N 0 0 604.897 7.041 50 30 KKEARN Cc1cc([C@H](C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000100332774 554315113 /nfs/dbraw/zinc/31/51/13/554315113.db2.gz AIUGSWSMVFXFNR-XWODRUKISA-N 0 0 532.515 8.115 50 30 KKEARN COc1cc(OC)c(/C=C2\S/C(=N/c3ccccc3F)N(C3CCCCC3)C2=O)cc1Br ZINC000100333565 554316052 /nfs/dbraw/zinc/31/60/52/554316052.db2.gz UXTAGVHTKWWVOK-NOPZMTQPSA-N 0 0 519.436 6.542 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000049710819 554324392 /nfs/dbraw/zinc/32/43/92/554324392.db2.gz FVULOFQWRPTTGM-WXTAPIANSA-N 0 0 540.454 5.781 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918055 554327135 /nfs/dbraw/zinc/32/71/35/554327135.db2.gz SXKFJWGUZMQKMG-NLGDKJDOSA-N 0 0 546.598 6.827 50 30 KKEARN Cc1cc(SCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)n2c3ccccc3nc2c1C#N ZINC000051103604 554329273 /nfs/dbraw/zinc/32/92/73/554329273.db2.gz PURBEOWOJSOUNW-NDEPHWFRSA-N 0 0 542.458 7.330 50 30 KKEARN COCCCN1C(=O)/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])S/C1=N\c1ccccc1 ZINC000100345999 554330302 /nfs/dbraw/zinc/33/03/02/554330302.db2.gz RFDQKEQTLFDDEN-GIEPNVOJSA-N 0 0 533.606 5.823 50 30 KKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Br)cc1Cl ZINC000053277261 554330643 /nfs/dbraw/zinc/33/06/43/554330643.db2.gz FUJNOFYHHCFSIB-UHFFFAOYSA-N 0 0 526.862 6.865 50 30 KKEARN CCN(CC)c1nc(N)c2c(c1C#N)[C@](C#N)(CC(=O)c1ccc(Cl)cc1)C(C(=O)c1ccc(Cl)cc1)=C2N ZINC000053277424 554330994 /nfs/dbraw/zinc/33/09/94/554330994.db2.gz YRNUAKCQYGGNNJ-GDLZYMKVSA-N 0 0 559.457 5.289 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290448 554331073 /nfs/dbraw/zinc/33/10/73/554331073.db2.gz FNCDJMKOOIINBD-XMMPIXPASA-N 0 0 528.586 5.573 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000053291400 554331446 /nfs/dbraw/zinc/33/14/46/554331446.db2.gz AIPXUBAULLWUKN-QFIPXVFZSA-N 0 0 544.833 5.366 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000053290710 554331464 /nfs/dbraw/zinc/33/14/64/554331464.db2.gz XGQRDKJFRFWZEJ-GHRAFVERSA-N 0 0 553.489 8.516 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053292184 554332271 /nfs/dbraw/zinc/33/22/71/554332271.db2.gz YTAGSVRILBNVHR-JOCHJYFZSA-N 0 0 519.420 6.459 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053305758 554332878 /nfs/dbraw/zinc/33/28/78/554332878.db2.gz RFCXRLLVQZFEHL-DEOSSOPVSA-N 0 0 563.473 6.857 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000053305924 554333215 /nfs/dbraw/zinc/33/32/15/554333215.db2.gz ZBTVEZAYTNGJOI-WRONEBCDSA-N 0 0 550.577 6.947 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000053306825 554334484 /nfs/dbraw/zinc/33/44/84/554334484.db2.gz CIDGPUWJDRFGAF-RUZDIDTESA-N 0 0 535.438 5.966 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000053307162 554334733 /nfs/dbraw/zinc/33/47/33/554334733.db2.gz IPWSEMBACCESFP-HKBQPEDESA-N 0 0 547.611 7.620 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053307522 554335069 /nfs/dbraw/zinc/33/50/69/554335069.db2.gz ZJDIFWPCSAKQJT-CBZJRKILSA-N 0 0 556.640 6.124 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000053319287 554337295 /nfs/dbraw/zinc/33/72/95/554337295.db2.gz ASYQBHJKAWLTGO-VWLOTQADSA-N 0 0 535.438 5.966 50 30 KKEARN COc1cc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)ccc1O ZINC000053319384 554337484 /nfs/dbraw/zinc/33/74/84/554337484.db2.gz OGOFNGRFCNQWFT-DVXZFRMZSA-N 0 0 553.352 5.188 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000053319398 554337666 /nfs/dbraw/zinc/33/76/66/554337666.db2.gz BSZNIECWIAQEGG-SANMLTNESA-N 0 0 549.465 5.476 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319425 554337845 /nfs/dbraw/zinc/33/78/45/554337845.db2.gz JVKTWESYXWRMPL-HHHXNRCGSA-N 0 0 526.545 5.362 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000053319430 554337977 /nfs/dbraw/zinc/33/79/77/554337977.db2.gz FCQMRHTYXCHRAB-OHWKKVTOSA-N 0 0 589.607 9.772 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319532 554338640 /nfs/dbraw/zinc/33/86/40/554338640.db2.gz SPKSJKUFLQCGSW-NDEPHWFRSA-N 0 0 570.667 6.728 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053332523 554339071 /nfs/dbraw/zinc/33/90/71/554339071.db2.gz HDDYFAXHNWBCIC-LMKMVOKYSA-N 0 0 575.484 6.782 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000053334042 554339856 /nfs/dbraw/zinc/33/98/56/554339856.db2.gz UJSDQAAKPRUHAN-SGANQWHYSA-N 0 0 562.644 5.558 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334291 554340114 /nfs/dbraw/zinc/34/01/14/554340114.db2.gz KDASUVYWBAVXPI-HHHXNRCGSA-N 0 0 572.639 6.038 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053334637 554340200 /nfs/dbraw/zinc/34/02/00/554340200.db2.gz CKYUGYJXNRDXAJ-RUZDIDTESA-N 0 0 528.586 5.476 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053335301 554340589 /nfs/dbraw/zinc/34/05/89/554340589.db2.gz UQRHJUPLFOVOGR-XGCWNURASA-N 0 0 556.640 6.118 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053334875 554340642 /nfs/dbraw/zinc/34/06/42/554340642.db2.gz OFIDRYLABPJCDO-QMTYFTJSSA-N 0 0 559.043 6.621 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053335356 554341018 /nfs/dbraw/zinc/34/10/18/554341018.db2.gz GIJJZSCGUGKXFS-SANMLTNESA-N 0 0 528.630 6.357 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053335329 554341096 /nfs/dbraw/zinc/34/10/96/554341096.db2.gz ZOUKDWXFTLEJEM-ACSYHNTCSA-N 0 0 568.695 7.198 50 30 KKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1OCc1ccc(Cl)cc1 ZINC000053335661 554341119 /nfs/dbraw/zinc/34/11/19/554341119.db2.gz XVRQYUOJYPZKBM-YTTGMZPUSA-N 0 0 559.106 7.871 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053336935 554341739 /nfs/dbraw/zinc/34/17/39/554341739.db2.gz FIKQYEHUJIPPAK-HHHXNRCGSA-N 0 0 542.657 6.802 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053336931 554341802 /nfs/dbraw/zinc/34/18/02/554341802.db2.gz FIKQYEHUJIPPAK-MHZLTWQESA-N 0 0 542.657 6.802 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053336950 554341865 /nfs/dbraw/zinc/34/18/65/554341865.db2.gz YZQWXGBTXIVNCL-RUZDIDTESA-N 0 0 530.602 5.667 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053337631 554342322 /nfs/dbraw/zinc/34/23/22/554342322.db2.gz WWYFWOHMVRIIKD-JMQGSBJISA-N 0 0 568.651 6.366 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000053337710 554342493 /nfs/dbraw/zinc/34/24/93/554342493.db2.gz TWUNGQXFURUYFL-GPNASLBKSA-N 0 0 557.532 8.238 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000053338827 554342819 /nfs/dbraw/zinc/34/28/19/554342819.db2.gz NFARGJHWKCNZPW-OSPAZUARSA-N 0 0 562.113 7.549 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000053339079 554343119 /nfs/dbraw/zinc/34/31/19/554343119.db2.gz XZANMQHNKJNRQJ-UHFFFAOYSA-N 0 0 578.511 5.844 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053339023 554343100 /nfs/dbraw/zinc/34/31/00/554343100.db2.gz XTCCZDXGNQAXNB-MQNRADLISA-N 0 0 547.032 6.455 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000053338948 554343144 /nfs/dbraw/zinc/34/31/44/554343144.db2.gz DRAYYIKQATXOAY-SANMLTNESA-N 0 0 575.323 9.149 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339400 554343540 /nfs/dbraw/zinc/34/35/40/554343540.db2.gz RTPPTMPQGQICNF-QHCPKHFHSA-N 0 0 548.617 5.306 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000053339304 554343607 /nfs/dbraw/zinc/34/36/07/554343607.db2.gz WDGQJTVQAIEWKO-HKBQPEDESA-N 0 0 547.607 5.858 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000053339778 554343769 /nfs/dbraw/zinc/34/37/69/554343769.db2.gz UEDUQRPFYTXJMS-HHHXNRCGSA-N 0 0 564.469 7.629 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339795 554343925 /nfs/dbraw/zinc/34/39/25/554343925.db2.gz GIYFLKUFKSZEQG-XMMPIXPASA-N 0 0 533.005 6.121 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339792 554343956 /nfs/dbraw/zinc/34/39/56/554343956.db2.gz GIYFLKUFKSZEQG-DEOSSOPVSA-N 0 0 533.005 6.121 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340475 554344138 /nfs/dbraw/zinc/34/41/38/554344138.db2.gz UBQOWWKVWUFTFP-HXUWFJFHSA-N 0 0 525.449 6.520 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053340416 554344227 /nfs/dbraw/zinc/34/42/27/554344227.db2.gz HSOIHINZNUROPX-SANMLTNESA-N 0 0 542.657 6.784 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)C=Cc1ccccc1 ZINC000053340547 554344260 /nfs/dbraw/zinc/34/42/60/554344260.db2.gz DHZIDYRXXMNOBR-VTJDKEBTSA-N 0 0 552.324 5.382 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053340310 554344295 /nfs/dbraw/zinc/34/42/95/554344295.db2.gz DPURGZNHFPJVKS-DEOSSOPVSA-N 0 0 563.473 6.803 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354703 554344535 /nfs/dbraw/zinc/34/45/35/554344535.db2.gz UTCDYJPQTOCUSP-QHCPKHFHSA-N 0 0 526.814 6.593 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000053359635 554345264 /nfs/dbraw/zinc/34/52/64/554345264.db2.gz IBKWWBSFNCQSPU-NRUKRWIHSA-N 0 0 540.635 7.093 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000053359690 554345307 /nfs/dbraw/zinc/34/53/07/554345307.db2.gz BZWSAHKQUOCUFU-GJBXTBEHSA-N 0 0 583.515 8.525 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000053360259 554345447 /nfs/dbraw/zinc/34/54/47/554345447.db2.gz GFDYQILSERCGFQ-JKFCTSDTSA-N 0 0 550.699 7.859 50 30 KKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)c(OC)c1OC ZINC000053360240 554345511 /nfs/dbraw/zinc/34/55/11/554345511.db2.gz XUMPEUGFOXKETR-HPGBDJQBSA-N 0 0 546.620 5.718 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000053360247 554345543 /nfs/dbraw/zinc/34/55/43/554345543.db2.gz XMAQMILMHKFXBF-WHLCRQNOSA-N 0 0 533.466 7.144 50 30 KKEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000100415416 554381470 /nfs/dbraw/zinc/38/14/70/554381470.db2.gz ZGCAFGYHNACVHA-NRFANRHFSA-N 0 0 582.037 5.336 50 30 KKEARN Oc1ccc(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100424502 554386090 /nfs/dbraw/zinc/38/60/90/554386090.db2.gz HNEIKMUHLLYTLP-UHFFFAOYSA-N 0 0 572.280 7.884 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C(F)(F)[C@]1(F)C(F)(F)F ZINC000100425079 554386272 /nfs/dbraw/zinc/38/62/72/554386272.db2.gz XXIWRQOSNDBYRY-LLEIAEIESA-N 0 0 500.070 6.353 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C(F)(F)[C@@]1(F)C(F)(F)F ZINC000100425077 554386311 /nfs/dbraw/zinc/38/63/11/554386311.db2.gz XXIWRQOSNDBYRY-AJSXGEPRSA-N 0 0 500.070 6.353 50 30 KKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=CC1=CC(=[NH+][N-]c2cccc(Br)c2)C=CC1=O ZINC000100435571 554392723 /nfs/dbraw/zinc/39/27/23/554392723.db2.gz BZJKRIAILBHCDS-YCEPCYNGSA-N 0 0 545.824 9.091 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(Br)c2)cc1OC ZINC000059503781 554400181 /nfs/dbraw/zinc/40/01/81/554400181.db2.gz DLBFHNPVNVPFLP-YKGWIAGDSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)cc2)cc1 ZINC000059503811 554400211 /nfs/dbraw/zinc/40/02/11/554400211.db2.gz CCZJEJJXQQWYAK-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000059504048 554400555 /nfs/dbraw/zinc/40/05/55/554400555.db2.gz RJFXQZPJGGOXPO-DEOSSOPVSA-N 0 0 582.520 6.319 50 30 KKEARN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc43)c3ccccc32)c2ccccc12 ZINC000100484102 554402106 /nfs/dbraw/zinc/40/21/06/554402106.db2.gz ANDGVWLCAZMWHI-PJUICVFASA-N 0 0 592.698 10.879 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000059515170 554402875 /nfs/dbraw/zinc/40/28/75/554402875.db2.gz RFASBIOYCDECAK-SLGOVJDISA-N 0 0 567.642 6.229 50 30 KKEARN O=Cc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100496839 554404197 /nfs/dbraw/zinc/40/41/97/554404197.db2.gz KOLANEVLEDPTQG-UHFFFAOYSA-N 0 0 582.250 7.668 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000059523744 554405184 /nfs/dbraw/zinc/40/51/84/554405184.db2.gz KWIHQYXCSSHXRX-URAOTHONSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccc(C2=NN(c3ccc(/C=C/C(=O)c4ccc(-c5ccccc5)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000100499913 554405275 /nfs/dbraw/zinc/40/52/75/554405275.db2.gz XDEYSUXIZIASQZ-GURTUOPLSA-N 0 0 534.659 8.614 50 30 KKEARN CCCCCCOc1ccc(/C(CCCCCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N/O)cc1 ZINC000100500664 554405770 /nfs/dbraw/zinc/40/57/70/554405770.db2.gz BWAPCYTWDFJIQW-FFROBNHHSA-N 0 0 552.800 9.782 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(C)ccc1C ZINC000059524774 554405889 /nfs/dbraw/zinc/40/58/89/554405889.db2.gz CVMVXFNZQNBTEN-JPQMRUPTSA-N 0 0 552.671 6.330 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000059595947 554408579 /nfs/dbraw/zinc/40/85/79/554408579.db2.gz OYOGYIPDHKETCV-ULPIOCOXSA-N 0 0 539.628 5.942 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000100523211 554409598 /nfs/dbraw/zinc/40/95/98/554409598.db2.gz IVBXFHDOINPFHG-WJOKGBTCSA-N 0 0 537.656 6.622 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000100523663 554409606 /nfs/dbraw/zinc/40/96/06/554409606.db2.gz YHWBJFDMALHJIG-HWRYFGFYSA-N 0 0 524.440 5.780 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000059603500 554409926 /nfs/dbraw/zinc/40/99/26/554409926.db2.gz SVMRZKVVXFLINA-CQSZACIVSA-N 0 0 549.440 5.209 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000059603577 554410177 /nfs/dbraw/zinc/41/01/77/554410177.db2.gz ZXGLJVVOZYJQSK-BGOLNKOXSA-N 0 0 568.626 5.441 50 30 KKEARN O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1)c1ccccc1Cl ZINC000100539783 554412813 /nfs/dbraw/zinc/41/28/13/554412813.db2.gz MUCLTIDWIHHPLR-WCMJOSRZSA-N 0 0 554.271 8.055 50 30 KKEARN C/C(=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccc(Br)cc1 ZINC000100542853 554413391 /nfs/dbraw/zinc/41/33/91/554413391.db2.gz HRDNUVCBTCPLGU-RWPZCVJISA-N 0 0 523.456 5.897 50 30 KKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000059620824 554414164 /nfs/dbraw/zinc/41/41/64/554414164.db2.gz NZAHUMVDGBGOEQ-GOGYHYQUSA-N 0 0 562.619 5.004 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100550479 554414630 /nfs/dbraw/zinc/41/46/30/554414630.db2.gz NASSTBAOOSEGAY-DICHSLLOSA-N 0 0 537.656 6.207 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000100550635 554414668 /nfs/dbraw/zinc/41/46/68/554414668.db2.gz NTRWZYNDDHPIKG-GFJKYASSSA-N 0 0 592.648 5.819 50 30 KKEARN Cc1c2ccc(OCC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc3)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000100552695 554415044 /nfs/dbraw/zinc/41/50/44/554415044.db2.gz CBVHRZYDEBDIBN-BFYITVNDSA-N 0 0 578.581 6.712 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100553117 554415411 /nfs/dbraw/zinc/41/54/11/554415411.db2.gz PGYQQEYWYHVHOW-OVBXVEMXSA-N 0 0 584.507 6.265 50 30 biogenic,in-vitro KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000100552726 554415453 /nfs/dbraw/zinc/41/54/53/554415453.db2.gz GPOALINDVRBIKG-SLGOVJDISA-N 0 0 539.628 5.817 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100553897 554415784 /nfs/dbraw/zinc/41/57/84/554415784.db2.gz OEBREEWZVQKZTE-ZORMNXRFSA-N 0 0 567.682 6.216 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100553918 554415808 /nfs/dbraw/zinc/41/58/08/554415808.db2.gz OEBREEWZVQKZTE-CMVGPNDKSA-N 0 0 567.682 6.216 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100557469 554416932 /nfs/dbraw/zinc/41/69/32/554416932.db2.gz FMTVNPGDULBHRC-WXTAPIANSA-N 0 0 620.993 6.865 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100558538 554417271 /nfs/dbraw/zinc/41/72/71/554417271.db2.gz LURAVMQWYGXCNR-HVIPQOSHSA-N 0 0 537.656 6.241 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100559892 554417822 /nfs/dbraw/zinc/41/78/22/554417822.db2.gz IUOPGSNWOXYEAG-OIXWISFJSA-N 0 0 540.056 6.069 50 30 biogenic,in-vitro KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100561627 554417992 /nfs/dbraw/zinc/41/79/92/554417992.db2.gz CCNDDAISOUEHNT-DICHSLLOSA-N 0 0 537.656 6.459 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Br)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100562994 554418746 /nfs/dbraw/zinc/41/87/46/554418746.db2.gz AACIDKCASCFPJZ-DWACAAAGSA-N 0 0 528.446 6.554 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000100564879 554419403 /nfs/dbraw/zinc/41/94/03/554419403.db2.gz BYWFUOMQBBBQDB-YUDQIZAISA-N 0 0 602.525 6.701 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100567843 554420541 /nfs/dbraw/zinc/42/05/41/554420541.db2.gz PTZOLHBIXMMYEV-XRHLQHRESA-N 0 0 550.449 6.025 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100567840 554420567 /nfs/dbraw/zinc/42/05/67/554420567.db2.gz PTZOLHBIXMMYEV-MYUZEXMDSA-N 0 0 550.449 6.025 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)/C(=N\CCc3ccc4c(c3)OCO4)S2)cc1 ZINC000100570471 554421885 /nfs/dbraw/zinc/42/18/85/554421885.db2.gz LZVLBUFNFCSDTN-LWPYMBBZSA-N 0 0 549.624 5.419 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100573296 554422156 /nfs/dbraw/zinc/42/21/56/554422156.db2.gz HMSLXYWQUMROCC-KEEVHDRGSA-N 0 0 603.027 5.961 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100575816 554423063 /nfs/dbraw/zinc/42/30/63/554423063.db2.gz FGNCROYSVPVVHT-XHCCPWGMSA-N 0 0 544.906 7.884 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100581866 554425050 /nfs/dbraw/zinc/42/50/50/554425050.db2.gz KUGJLGNERNTKLS-CRICUBBOSA-N 0 0 606.966 6.475 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100581873 554425067 /nfs/dbraw/zinc/42/50/67/554425067.db2.gz KUGJLGNERNTKLS-SSOJOUAXSA-N 0 0 606.966 6.475 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(S[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)c1 ZINC000100583700 554425817 /nfs/dbraw/zinc/42/58/17/554425817.db2.gz KRFGBPLQVWNKIG-MUUNZHRXSA-N 0 0 535.625 6.037 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1OC ZINC000059706358 554425985 /nfs/dbraw/zinc/42/59/85/554425985.db2.gz UWMCGBAKKJNBSY-WBBHLRKXSA-N 0 0 553.655 5.860 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000059706307 554426012 /nfs/dbraw/zinc/42/60/12/554426012.db2.gz MREUJAHYIJDZSX-RCRUUEGKSA-N 0 0 618.524 6.537 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000059706314 554426020 /nfs/dbraw/zinc/42/60/20/554426020.db2.gz NQNFBJVDSBFERH-HMILPKGGSA-N 0 0 614.964 7.444 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000059706315 554426028 /nfs/dbraw/zinc/42/60/28/554426028.db2.gz NQNFBJVDSBFERH-GDJIYFAZSA-N 0 0 614.964 7.444 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000059706456 554426304 /nfs/dbraw/zinc/42/63/04/554426304.db2.gz PPVCRBFDVMPTRO-XYFQYJLHSA-N 0 0 536.672 5.909 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000100588084 554427369 /nfs/dbraw/zinc/42/73/69/554427369.db2.gz GNRYLWJDUZYSTL-NLGDKJDOSA-N 0 0 553.655 6.208 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100588063 554427445 /nfs/dbraw/zinc/42/74/45/554427445.db2.gz WAEHNUKRJZEBLH-URAOTHONSA-N 0 0 547.648 5.656 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000059736179 554427673 /nfs/dbraw/zinc/42/76/73/554427673.db2.gz XXIUIUFNGUFWHP-UVDDSOTQSA-N 0 0 598.696 6.038 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000059736052 554427678 /nfs/dbraw/zinc/42/76/78/554427678.db2.gz JUFFINRUMGEZRW-VWLOTQADSA-N 0 0 570.480 5.780 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100588171 554427664 /nfs/dbraw/zinc/42/76/64/554427664.db2.gz PJNUJSAIANWDJP-HPMVVLTCSA-N 0 0 583.681 5.834 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588317 554427918 /nfs/dbraw/zinc/42/79/18/554427918.db2.gz VVTUBRHOWYGXQR-MRDQGFSESA-N 0 0 586.479 5.408 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100597663 554430334 /nfs/dbraw/zinc/43/03/34/554430334.db2.gz XXJFTXQYOOHVJZ-HZPZFAMDSA-N 0 0 614.533 6.187 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100599993 554431311 /nfs/dbraw/zinc/43/13/11/554431311.db2.gz KQBRHVKRPNEHDO-WTYVLRPYSA-N 0 0 555.593 6.570 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O ZINC000059821534 554431332 /nfs/dbraw/zinc/43/13/32/554431332.db2.gz JDWZJRIJXFYFRI-JLPGSUDCSA-N 0 0 577.431 5.352 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000100602736 554431836 /nfs/dbraw/zinc/43/18/36/554431836.db2.gz UBVSOTFFPHYZSG-XMMPIXPASA-N 0 0 539.470 6.105 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000100600163 554431839 /nfs/dbraw/zinc/43/18/39/554431839.db2.gz ZJSWPAMPXYYJIR-JMQGSBJISA-N 0 0 600.506 5.797 50 30 KKEARN C(#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000100660774 554438599 /nfs/dbraw/zinc/43/85/99/554438599.db2.gz JIUCWZLJZQXUKP-UHFFFAOYSA-N 0 0 558.724 11.421 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000100666883 554440466 /nfs/dbraw/zinc/44/04/66/554440466.db2.gz XOIUHJDYTMRWFG-XIFFEERXSA-N 0 0 550.624 9.171 50 30 KKEARN COc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1OC ZINC000100667604 554440483 /nfs/dbraw/zinc/44/04/83/554440483.db2.gz GMRFUVVWFGGPMV-ZOWXZKLGSA-N 0 0 519.645 6.016 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000100668538 554440488 /nfs/dbraw/zinc/44/04/88/554440488.db2.gz YYVLATHVNYNJOY-JCVFDAPQSA-N 0 0 559.685 7.886 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669943 554440980 /nfs/dbraw/zinc/44/09/80/554440980.db2.gz YAQJFBVQURZGGK-JOCHJYFZSA-N 0 0 523.382 7.255 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669836 554440989 /nfs/dbraw/zinc/44/09/89/554440989.db2.gz JFCLPWQIYVKUMZ-NGOKVRLYSA-N 0 0 546.545 6.434 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100673767 554442235 /nfs/dbraw/zinc/44/22/35/554442235.db2.gz ARIUCUFFUYYIJK-XMMPIXPASA-N 0 0 544.570 5.974 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000100674630 554442845 /nfs/dbraw/zinc/44/28/45/554442845.db2.gz PINMMARQMWYBBO-PMERELPUSA-N 0 0 543.660 6.368 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000100681175 554447594 /nfs/dbraw/zinc/44/75/94/554447594.db2.gz ONQGCYXYUYTZLE-VAVYLYDRSA-N 0 0 551.680 6.200 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000059844558 554448100 /nfs/dbraw/zinc/44/81/00/554448100.db2.gz KFHKMMHGGFDJBK-WGDIFIGCSA-N 0 0 554.437 5.500 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100691561 554450113 /nfs/dbraw/zinc/45/01/13/554450113.db2.gz OBBARAORXXPLLL-UZTOHYMASA-N 0 0 572.123 6.111 50 30 KKEARN C=CCSc1ccc(Br)cc1C(=O)N1CCN(C(=O)c2cc(Br)ccc2SCC=C)CC1 ZINC000100697363 554451057 /nfs/dbraw/zinc/45/10/57/554451057.db2.gz MKGYZXSBWZJCCO-UHFFFAOYSA-N 0 0 596.410 6.366 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N(CCCC)CCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000100700133 554451453 /nfs/dbraw/zinc/45/14/53/554451453.db2.gz DUBQEPJXRMGZFO-UHFFFAOYSA-N 0 0 517.803 7.311 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000100701559 554451695 /nfs/dbraw/zinc/45/16/95/554451695.db2.gz ZVNBSARXXYNUEB-HSZRJFAPSA-N 0 0 537.041 8.103 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000100701922 554452223 /nfs/dbraw/zinc/45/22/23/554452223.db2.gz XOKNDGAUOUECBK-JOCHJYFZSA-N 0 0 584.010 7.403 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000100702090 554452245 /nfs/dbraw/zinc/45/22/45/554452245.db2.gz RCCTVJDTQDRAKX-GOSISDBHSA-N 0 0 527.902 5.843 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000100701924 554452287 /nfs/dbraw/zinc/45/22/87/554452287.db2.gz XOKNDGAUOUECBK-QFIPXVFZSA-N 0 0 584.010 7.403 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000100704635 554452744 /nfs/dbraw/zinc/45/27/44/554452744.db2.gz UPGDPHFLEWIHCA-SMSORMJASA-N 0 0 547.717 6.663 50 30 KKEARN CC(C)(C)c1ccc([S@@](=O)C[C@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728668 554458777 /nfs/dbraw/zinc/45/87/77/554458777.db2.gz RVCQWJNMBDEEOW-BUFIKQNTSA-N 0 0 532.756 6.907 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000100733148 554460728 /nfs/dbraw/zinc/46/07/28/554460728.db2.gz LFCFVAKYWPNYMZ-UHFFFAOYSA-N 0 0 564.862 10.932 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100732813 554460746 /nfs/dbraw/zinc/46/07/46/554460746.db2.gz RFTHGYVUIMIHLJ-MAJWKWKESA-N 0 0 581.665 6.201 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000100732788 554460790 /nfs/dbraw/zinc/46/07/90/554460790.db2.gz ONCPIFPNHPMOAO-DNKZPPIMSA-N 0 0 551.705 5.768 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000100732809 554460872 /nfs/dbraw/zinc/46/08/72/554460872.db2.gz UYYFVOIBQZFUNG-CMTYHFORSA-N 0 0 551.705 5.768 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736786 554461113 /nfs/dbraw/zinc/46/11/13/554461113.db2.gz CQYZKEDBUOVUKB-JOCHJYFZSA-N 0 0 536.606 5.127 50 30 KKEARN O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N=NCc2ccccc2O)n1 ZINC000100738736 554462138 /nfs/dbraw/zinc/46/21/38/554462138.db2.gz OAPIOYIUEKEHDI-GZIVZEMBSA-N 0 0 521.190 5.593 50 30 KKEARN CC1(C)CC(=O)C(=C2Nc3ccc(-c4ccc5c(c4)NC(=C4C(=O)CC(C)(C)CC4=O)N5)cc3N2)C(=O)C1 ZINC000100751424 554466227 /nfs/dbraw/zinc/46/62/27/554466227.db2.gz VCTQHPOHFLRGJT-UHFFFAOYSA-N 0 0 510.594 5.368 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100751559 554466263 /nfs/dbraw/zinc/46/62/63/554466263.db2.gz CMMDZHZZUXPMSY-UHFFFAOYSA-N 0 0 529.165 5.180 50 30 KKEARN Cc1ccc(NC2=C(n3nnc4ccccc43)C(=O)C(Nc3ccc(C)cc3)=C(n3nnc4ccccc43)C2=O)cc1 ZINC000100801646 554474574 /nfs/dbraw/zinc/47/45/74/554474574.db2.gz AMPKSZSSUQFFDE-UHFFFAOYSA-N 0 0 552.598 5.206 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1OC ZINC000100814953 554475820 /nfs/dbraw/zinc/47/58/20/554475820.db2.gz HEWAQGJPVSHHIL-MQQVZEMLSA-N 0 0 567.527 8.095 50 30 KKEARN CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 ZINC000100831914 554482632 /nfs/dbraw/zinc/48/26/32/554482632.db2.gz ZUMZIGPJZAOWOH-UHFFFAOYSA-N 0 0 540.682 6.253 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(C)c2)SC1=S ZINC000100837090 554484025 /nfs/dbraw/zinc/48/40/25/554484025.db2.gz MTVQMCFFWPHZRA-IADYIPOJSA-N 0 0 561.817 8.588 50 30 KKEARN C=C1[C@@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)CC)cc3)cc2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 ZINC000100841034 554489408 /nfs/dbraw/zinc/48/94/08/554489408.db2.gz SINRXHSTPVXJOU-LQFQNGICSA-N 0 0 616.802 10.026 50 30 KKEARN Cc1c(N/N=C(/C(=O)Nc2c(Cl)cccc2Cl)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100842741 554489955 /nfs/dbraw/zinc/48/99/55/554489955.db2.gz BVHWFLQEYUZDMI-UQRQXUALSA-N 0 0 522.392 5.081 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100842508 554490037 /nfs/dbraw/zinc/49/00/37/554490037.db2.gz INAKWCMQBPRSDX-FJWZAKCXSA-N 0 0 557.480 5.593 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000100845016 554490890 /nfs/dbraw/zinc/49/08/90/554490890.db2.gz MXBVINMOKXRLEB-UHFFFAOYSA-N 0 0 526.809 11.030 50 30 KKEARN CCCCCCCCCCCCCCCCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000100853957 554493059 /nfs/dbraw/zinc/49/30/59/554493059.db2.gz LPJOTSJHGHHWMI-UHFFFAOYSA-N 0 0 502.721 8.271 50 30 KKEARN CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(NC(=O)CCC(=O)OC)cc2)n1C ZINC000100854455 554493372 /nfs/dbraw/zinc/49/33/72/554493372.db2.gz KSTWKYDGPKVIHI-UHFFFAOYSA-N 0 0 541.777 7.482 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000100871480 554499322 /nfs/dbraw/zinc/49/93/22/554499322.db2.gz LJWPRMNTEYOREB-NFFVHWSESA-N 0 0 531.791 8.661 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000100871745 554499914 /nfs/dbraw/zinc/49/99/14/554499914.db2.gz NHEPJNKSHFRKNB-ULJHMMPZSA-N 0 0 526.127 7.373 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccccc3Cl)C2=O)SC1=S ZINC000100872096 554500561 /nfs/dbraw/zinc/50/05/61/554500561.db2.gz GREWWCFAEPLYCW-VHXPQNKSSA-N 0 0 542.126 6.257 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000100897257 554514124 /nfs/dbraw/zinc/51/41/24/554514124.db2.gz FTQVTBMLOAFGBN-BMEAZLCOSA-N 0 0 526.772 6.047 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)ONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000100913030 554518606 /nfs/dbraw/zinc/51/86/06/554518606.db2.gz ZHXNTYWLJPHJPB-UHFFFAOYSA-N 0 0 520.304 5.481 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000100916992 554519924 /nfs/dbraw/zinc/51/99/24/554519924.db2.gz AGZMBLCJMMGRBP-PTNIKOMKSA-N 0 0 526.772 6.047 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000100916996 554520011 /nfs/dbraw/zinc/52/00/11/554520011.db2.gz AGZMBLCJMMGRBP-BEZOXZJXSA-N 0 0 526.772 6.047 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1ccc(OCCC)cc1 ZINC000100924916 554523455 /nfs/dbraw/zinc/52/34/55/554523455.db2.gz NORIGNIEAUQPQG-UHFFFAOYSA-N 0 0 573.666 6.717 50 30 KKEARN CCOC(=O)C1=C(C)NC(Cl)=C(/C=N/OCc2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000100926778 554524419 /nfs/dbraw/zinc/52/44/19/554524419.db2.gz ORTICHOWUNXXMC-BWKYPOAKSA-N 0 0 514.236 6.824 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S ZINC000100935853 554529473 /nfs/dbraw/zinc/52/94/73/554529473.db2.gz HGIHQGPMEMSKLX-PYCFMQQDSA-N 0 0 523.680 6.057 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575112 554540054 /nfs/dbraw/zinc/54/00/54/554540054.db2.gz UMADKHFVSXRTGY-NQXXGFSBSA-N 0 0 510.096 5.032 50 30 KKEARN Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000068572890 554540118 /nfs/dbraw/zinc/54/01/18/554540118.db2.gz SUCAQXRRLKWYOO-UHFFFAOYSA-N 0 0 518.258 5.668 50 30 KKEARN Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000068575163 554540288 /nfs/dbraw/zinc/54/02/88/554540288.db2.gz DJCWCFFWNFYMFJ-UHFFFAOYSA-N 0 0 553.212 6.943 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000100986386 554548446 /nfs/dbraw/zinc/54/84/46/554548446.db2.gz QGRPEAIHXGIEAO-YYLGKJLSSA-N 0 0 519.344 8.287 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100988742 554549386 /nfs/dbraw/zinc/54/93/86/554549386.db2.gz KRVVKZDYARZACM-YSUNOSAZSA-N 0 0 592.891 6.261 50 30 KKEARN CC(C)c1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)cc1 ZINC000100989068 554549666 /nfs/dbraw/zinc/54/96/66/554549666.db2.gz DSTXDGUJEQIMQF-TVHMLZPVSA-N 0 0 576.634 5.332 50 30 KKEARN CCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCCC)c(OC)c4)cc3)cc2)cc1OC ZINC000100995462 554550816 /nfs/dbraw/zinc/55/08/16/554550816.db2.gz OGNUMBIXLXSZBR-VJTPSNAYSA-N 0 0 552.671 8.575 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)ccc1OCc1ccccc1Cl ZINC000101008939 554557027 /nfs/dbraw/zinc/55/70/27/554557027.db2.gz FDJKJNAGHMIKOO-FMCGGJTJSA-N 0 0 533.864 7.516 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccc(S(=O)(=O)[O-])cc2nc1CC[C@](C)([NH3+])CC ZINC000101016439 554560426 /nfs/dbraw/zinc/56/04/26/554560426.db2.gz FTHZRKJABKKXHF-WJOKGBTCSA-N 0 0 549.866 8.605 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S ZINC000101017998 554561048 /nfs/dbraw/zinc/56/10/48/554561048.db2.gz FESWZITYWQYQRF-UZYVYHOESA-N 0 0 516.733 5.483 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000101022088 554561780 /nfs/dbraw/zinc/56/17/80/554561780.db2.gz XRHHRVCKSRWBDK-KKMKTNMSSA-N 0 0 543.388 6.699 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000101071412 554575642 /nfs/dbraw/zinc/57/56/42/554575642.db2.gz INDHATWMIAOKMZ-MUUNZHRXSA-N 0 0 610.537 7.677 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000101072467 554576257 /nfs/dbraw/zinc/57/62/57/554576257.db2.gz RWTIGBZTCSVCTM-DFXXOVSGSA-N 0 0 569.455 6.353 50 30 KKEARN O=C1c2ccccc2S/C1=C\c1cc(I)cc(I)c1OCc1ccccc1 ZINC000101072310 554576284 /nfs/dbraw/zinc/57/62/84/554576284.db2.gz MYUBDNNWTWUBOZ-JAIQZWGSSA-N 0 0 596.227 6.804 50 30 KKEARN Clc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000101088230 554581198 /nfs/dbraw/zinc/58/11/98/554581198.db2.gz CWHQVPFKBJXOGH-LQKURTRISA-N 0 0 556.896 5.513 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101237 554588071 /nfs/dbraw/zinc/58/80/71/554588071.db2.gz DWKYDHCMBARGNA-DFXXOVSGSA-N 0 0 591.502 5.090 50 30 KKEARN O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccccc1 ZINC000101126980 554645969 /nfs/dbraw/zinc/64/59/69/554645969.db2.gz AJOYJSLDROYVFY-XAYXJRQQSA-N 0 0 544.376 6.264 50 30 KKEARN O=C(/C(=N\Nc1ccccc1)Sc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1 ZINC000101127213 554645997 /nfs/dbraw/zinc/64/59/97/554645997.db2.gz OBGNVDRKEWUVEP-YYADALCUSA-N 0 0 524.356 5.808 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@H](OCc3ccccc3)OC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000101137123 554652004 /nfs/dbraw/zinc/65/20/04/554652004.db2.gz KHNVYKHXMVIBEJ-VBWFMVIDSA-N 0 0 574.695 5.813 50 30 KKEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O ZINC000101141359 554653472 /nfs/dbraw/zinc/65/34/72/554653472.db2.gz FOMPCUBLSHBMCU-HMAPJEAMSA-N 0 0 535.383 5.325 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@H]2CC=C3CC[C@@H]([C@@H](OCOC)C(=O)[C@H]2C)C3(C)C)COC(C)(C)O1 ZINC000101142396 554654348 /nfs/dbraw/zinc/65/43/48/554654348.db2.gz BXHIVACEXVISNH-DNPSKMBUSA-N 0 0 542.713 5.865 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccccc1)c1ccc(C)cc1 ZINC000101150500 554657323 /nfs/dbraw/zinc/65/73/23/554657323.db2.gz RIRLEANQNISYLI-ZSNOORQOSA-N 0 0 541.615 6.154 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000101161832 554659776 /nfs/dbraw/zinc/65/97/76/554659776.db2.gz KUFVKLNCDPMZRI-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN CCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)C[C@H](c2c(C)cc(C)cc2C)[C@H](C(=O)OC)C1=O ZINC000101194080 554671535 /nfs/dbraw/zinc/67/15/35/554671535.db2.gz QRECMYJZBSYCJO-QSKUBIROSA-N 0 0 535.644 6.009 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000101194672 554671808 /nfs/dbraw/zinc/67/18/08/554671808.db2.gz OMXZDUZHAPEPFY-PIIWDFAUSA-N 0 0 537.678 5.370 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101194441 554671858 /nfs/dbraw/zinc/67/18/58/554671858.db2.gz KXRJSSADARZKCG-YQWIOWDRSA-N 0 0 549.664 5.814 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000101194666 554671862 /nfs/dbraw/zinc/67/18/62/554671862.db2.gz SKEYCVBZIHKINN-SMSORMJASA-N 0 0 549.664 5.816 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101204443 554674357 /nfs/dbraw/zinc/67/43/57/554674357.db2.gz RBYRRPHNLYZDEI-HMILPKGGSA-N 0 0 584.507 6.180 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204460 554674361 /nfs/dbraw/zinc/67/43/61/554674361.db2.gz GEMYAGXLXOKOMY-VKGTZQKMSA-N 0 0 614.533 6.188 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204456 554674375 /nfs/dbraw/zinc/67/43/75/554674375.db2.gz GEMYAGXLXOKOMY-HMILPKGGSA-N 0 0 614.533 6.188 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204534 554674588 /nfs/dbraw/zinc/67/45/88/554674588.db2.gz HHKRWCDJXNVKBI-UVMFRMCBSA-N 0 0 597.708 6.224 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101204551 554674598 /nfs/dbraw/zinc/67/45/98/554674598.db2.gz DYABTWZZEFCGBA-WHLCRQNOSA-N 0 0 630.532 5.512 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204801 554674937 /nfs/dbraw/zinc/67/49/37/554674937.db2.gz VMSSPLXRAYPFFT-WHLCRQNOSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000101207595 554677093 /nfs/dbraw/zinc/67/70/93/554677093.db2.gz KTAATDJDVACAHY-HSZRJFAPSA-N 0 0 530.477 6.280 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209808 554678502 /nfs/dbraw/zinc/67/85/02/554678502.db2.gz NIVLLSKEMARWRW-UHFFFAOYSA-N 0 0 544.995 5.197 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000101209573 554678531 /nfs/dbraw/zinc/67/85/31/554678531.db2.gz IRMVRUIHOZXGEP-UHFFFAOYSA-N 0 0 534.509 5.957 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209783 554678545 /nfs/dbraw/zinc/67/85/45/554678545.db2.gz DVEUWELOQYPONE-VWLOTQADSA-N 0 0 532.662 5.433 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1cccc(Cl)c1 ZINC000101210045 554678708 /nfs/dbraw/zinc/67/87/08/554678708.db2.gz XMABAPFEMQATQX-UHFFFAOYSA-N 0 0 537.991 5.693 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101210063 554678722 /nfs/dbraw/zinc/67/87/22/554678722.db2.gz ITYVWCPTORJCRV-UHFFFAOYSA-N 0 0 538.044 5.526 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(Cl)c1 ZINC000101210028 554678725 /nfs/dbraw/zinc/67/87/25/554678725.db2.gz XRNQHHBIRGECBN-XMMPIXPASA-N 0 0 529.489 6.197 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)C(=O)c1cccc(OC)c1 ZINC000101210228 554679024 /nfs/dbraw/zinc/67/90/24/554679024.db2.gz VROHKKAYGPLVST-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccccc1F ZINC000101210521 554679324 /nfs/dbraw/zinc/67/93/24/554679324.db2.gz UZDOJGSXIALNIB-UHFFFAOYSA-N 0 0 523.395 6.252 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(Cl)cc1Cl ZINC000101211981 554679574 /nfs/dbraw/zinc/67/95/74/554679574.db2.gz JFDHEJRAXKNWBM-UHFFFAOYSA-N 0 0 553.417 6.096 50 30 KKEARN C=CCN(C(=O)c1csc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(C)=O)CC3)n1)C1CCCC1 ZINC000101210817 554679580 /nfs/dbraw/zinc/67/95/80/554679580.db2.gz NUBQVPGHRQKVKB-LJAQVGFWSA-N 0 0 533.669 5.926 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212738 554679800 /nfs/dbraw/zinc/67/98/00/554679800.db2.gz GFFVWMUFOXNOCM-JCVFDAPQSA-N 0 0 611.735 6.613 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212773 554679991 /nfs/dbraw/zinc/67/99/91/554679991.db2.gz CMTQCZLIILEZRM-OSPAZUARSA-N 0 0 593.720 7.130 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212826 554680008 /nfs/dbraw/zinc/68/00/08/554680008.db2.gz WDPFPEUMDRCXGU-CZZIKKGSSA-N 0 0 607.747 7.520 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101212922 554680189 /nfs/dbraw/zinc/68/01/89/554680189.db2.gz GHOGDBFUNLVHED-SAYGYDPZSA-N 0 0 581.709 6.986 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212883 554680199 /nfs/dbraw/zinc/68/01/99/554680199.db2.gz VPKPSLHVOJYBGT-OOXUFLSTSA-N 0 0 581.709 6.844 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000101212964 554680202 /nfs/dbraw/zinc/68/02/02/554680202.db2.gz DDCIXWPFRNXVHM-YJNPBZNESA-N 0 0 581.709 6.988 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101213011 554680215 /nfs/dbraw/zinc/68/02/15/554680215.db2.gz GCSXXKKSJDDUED-JPQMRUPTSA-N 0 0 632.551 6.622 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101212994 554680254 /nfs/dbraw/zinc/68/02/54/554680254.db2.gz GXJLDZQVJQVCEJ-HPMVVLTCSA-N 0 0 583.681 5.956 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000101215432 554681161 /nfs/dbraw/zinc/68/11/61/554681161.db2.gz RZCBHHIHZLUMEE-UHFFFAOYSA-N 0 0 530.477 5.337 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101218058 554685055 /nfs/dbraw/zinc/68/50/55/554685055.db2.gz VFLPXDZBAUMZLZ-WRONEBCDSA-N 0 0 628.560 6.434 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101218270 554685254 /nfs/dbraw/zinc/68/52/54/554685254.db2.gz TXOVODMKFJIZKQ-SFRLIIPVSA-N 0 0 611.691 5.785 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218438 554685469 /nfs/dbraw/zinc/68/54/69/554685469.db2.gz OGTVSYGKKVLVCB-QRRWFCJLSA-N 0 0 613.776 6.941 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218391 554685473 /nfs/dbraw/zinc/68/54/73/554685473.db2.gz PWTSVGHRURVVQH-GUZYMRFCSA-N 0 0 611.735 6.613 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101218422 554685488 /nfs/dbraw/zinc/68/54/88/554685488.db2.gz AOBFIWQULBMMTC-MYUZEXMDSA-N 0 0 632.573 5.838 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218720 554685944 /nfs/dbraw/zinc/68/59/44/554685944.db2.gz RDJGFRNNAJCBGT-DEOSSOPVSA-N 0 0 545.126 5.400 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000101218592 554685955 /nfs/dbraw/zinc/68/59/55/554685955.db2.gz ZCIBPDLQUXDVRG-GOXGLGGOSA-N 0 0 597.664 5.474 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220651 554686604 /nfs/dbraw/zinc/68/66/04/554686604.db2.gz YFLFUUPOQXPELU-JHOBJCJYSA-N 0 0 577.599 6.828 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220749 554686840 /nfs/dbraw/zinc/68/68/40/554686840.db2.gz BAULUEPOCZVQCG-GTYOFVGBSA-N 0 0 607.625 6.706 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220703 554686862 /nfs/dbraw/zinc/68/68/62/554686862.db2.gz USAYIPKJDYEBOI-BNHRFMORSA-N 0 0 607.700 5.358 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000101220710 554686883 /nfs/dbraw/zinc/68/68/83/554686883.db2.gz DHVGPPQGROZCTC-SLGOVJDISA-N 0 0 563.691 6.206 50 30 KKEARN C=CCn1c(=N)c(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc2c1nc1ccccn1c2=O ZINC000101228808 554689178 /nfs/dbraw/zinc/68/91/78/554689178.db2.gz LIVAZXXDKMJANK-UHFFFAOYSA-N 0 0 548.603 5.497 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCc1nc3c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-3)-c1ccccc1CC21CCCCC1 ZINC000101232329 554689603 /nfs/dbraw/zinc/68/96/03/554689603.db2.gz VQFVDOLUDAHSSD-UHFFFAOYSA-N 0 0 602.804 7.677 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101237098 554691701 /nfs/dbraw/zinc/69/17/01/554691701.db2.gz OEPQKWRIRQMFHC-JHOUSYSJSA-N 0 0 634.733 5.371 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)NCCCc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237550 554692155 /nfs/dbraw/zinc/69/21/55/554692155.db2.gz JVYSSBPPHPEVNX-RPLLCQBOSA-N 0 0 568.640 5.218 50 30 KKEARN COc1ccc(Br)cc1/C=C1\CN(C(C)C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000101256659 554697017 /nfs/dbraw/zinc/69/70/17/554697017.db2.gz JTQWTTNLRWPUNU-MXYCIJPUSA-N 0 0 535.276 5.989 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276759 554702909 /nfs/dbraw/zinc/70/29/09/554702909.db2.gz ZRMGULIZLKLAGO-AYWGPLOBSA-N 0 0 548.617 5.136 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276804 554703277 /nfs/dbraw/zinc/70/32/77/554703277.db2.gz WWZXNUYCGMYIBV-JLPDLQRYSA-N 0 0 602.709 6.169 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277838 554704232 /nfs/dbraw/zinc/70/42/32/554704232.db2.gz ZAPIVHLAAULHRM-AYWGPLOBSA-N 0 0 532.618 5.300 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000101278476 554705029 /nfs/dbraw/zinc/70/50/29/554705029.db2.gz GZSQLMIDJQQUCQ-UUALVTFQSA-N 0 0 580.662 6.308 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Cl)ccc1OC(F)F ZINC000101285766 554705725 /nfs/dbraw/zinc/70/57/25/554705725.db2.gz OAPSHYQHBVNJDP-QHCPKHFHSA-N 0 0 503.977 7.094 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cc(Br)ccc1F ZINC000101285180 554705730 /nfs/dbraw/zinc/70/57/30/554705730.db2.gz LUMVWSDJVHLDDO-QHCPKHFHSA-N 0 0 500.412 6.740 50 30 KKEARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000101292554 554709209 /nfs/dbraw/zinc/70/92/09/554709209.db2.gz JGWYHGYYMGZMIB-OAQYLSRUSA-N 0 0 526.489 6.878 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294351 554711211 /nfs/dbraw/zinc/71/12/11/554711211.db2.gz GZILASWIQHQPMP-UUALVTFQSA-N 0 0 570.623 5.657 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4c(C(=O)Nc5ccccc5)cnn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000101297865 554712535 /nfs/dbraw/zinc/71/25/35/554712535.db2.gz NXKKFKMPNQUNPN-CHJDUVSTSA-N 0 0 534.616 5.877 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101299762 554713262 /nfs/dbraw/zinc/71/32/62/554713262.db2.gz IWAUXYIKNSLHME-CJJGVWJISA-N 0 0 542.613 5.813 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(C)cc2)cc1 ZINC000101303271 554713959 /nfs/dbraw/zinc/71/39/59/554713959.db2.gz YTQUHVOPVGPHON-GZZLJNBRSA-N 0 0 582.729 7.991 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310202 554717106 /nfs/dbraw/zinc/71/71/06/554717106.db2.gz VGWOQQFMNLPLFT-RWMNMRIUSA-N 0 0 539.628 5.638 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310246 554717206 /nfs/dbraw/zinc/71/72/06/554717206.db2.gz JOGWWNRRUDBNSK-OGHRCCBNSA-N 0 0 590.654 5.151 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313263 554721685 /nfs/dbraw/zinc/72/16/85/554721685.db2.gz URPRUANNOLVLLZ-CJJGVWJISA-N 0 0 526.614 6.113 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313477 554721859 /nfs/dbraw/zinc/72/18/59/554721859.db2.gz JVRMZLKKRZTCEV-IUKMQXEJSA-N 0 0 512.587 5.804 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313728 554722158 /nfs/dbraw/zinc/72/21/58/554722158.db2.gz YLCDUJXVEBOAGL-HTUFKCTLSA-N 0 0 559.043 6.464 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101316537 554723575 /nfs/dbraw/zinc/72/35/75/554723575.db2.gz UWQIMHXEIRGFHI-CZNAVJSXSA-N 0 0 542.613 5.813 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(C)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12c1ccccc1NC2=O ZINC000101318600 554725751 /nfs/dbraw/zinc/72/57/51/554725751.db2.gz PYFVJVCUVRDFJE-RPWYQEBTSA-N 0 0 566.657 6.542 50 30 KKEARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101328834 554729967 /nfs/dbraw/zinc/72/99/67/554729967.db2.gz FFPOVNUQNUBRQW-PSVUBMJASA-N 0 0 537.967 5.701 50 30 KKEARN C=CCn1c(-c2ccccc2)c(NC(=O)/C=C/c2ccccc2)s/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000101332236 554733262 /nfs/dbraw/zinc/73/32/62/554733262.db2.gz WRAIIOSQIYDQOP-RJWNUCPXSA-N 0 0 547.684 6.085 50 30 KKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N\c1cccc(C(F)(F)F)c1 ZINC000101332655 554733655 /nfs/dbraw/zinc/73/36/55/554733655.db2.gz SCHGYADYMUWYPW-FSRJSHLRSA-N 0 0 527.999 7.868 50 30 KKEARN CC(C)c1ccc([C@H](CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)N2CCOCC2)cc1 ZINC000101360842 554742501 /nfs/dbraw/zinc/74/25/01/554742501.db2.gz ARECGONBEMMGMP-PMERELPUSA-N 0 0 557.094 7.054 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000101361544 554743042 /nfs/dbraw/zinc/74/30/42/554743042.db2.gz ALYUPKYJECBYEI-MHZLTWQESA-N 0 0 549.458 6.584 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376385 554746312 /nfs/dbraw/zinc/74/63/12/554746312.db2.gz NRYJBCQCHAOKQV-JOCHJYFZSA-N 0 0 538.069 5.933 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000101383684 554748754 /nfs/dbraw/zinc/74/87/54/554748754.db2.gz CLXAOMBLNHLFBP-UHFFFAOYSA-N 0 0 621.502 10.360 50 30 KKEARN CCCCCCCCCCNC(=O)c1nnn2c1sc1c(C(=O)NCCCCCCCCCC)nnn1c1ccccc12 ZINC000101385785 554750240 /nfs/dbraw/zinc/75/02/40/554750240.db2.gz KZGCKXBKQJLUEB-UHFFFAOYSA-N 0 0 608.857 7.290 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@@H]1c1ccccc1Cl ZINC000101389864 554753841 /nfs/dbraw/zinc/75/38/41/554753841.db2.gz QWVVBGAACYJHFI-XMMPIXPASA-N 0 0 512.006 5.490 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N[C@H](C)c3ccccc3)N2[C@H]1c1ccccc1Cl ZINC000101389779 554753862 /nfs/dbraw/zinc/75/38/62/554753862.db2.gz VGUYBIKUINEQGW-NSYGIPOTSA-N 0 0 508.043 5.912 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@@H]1c1cc(C)ccc1C ZINC000101389392 554753865 /nfs/dbraw/zinc/75/38/65/554753865.db2.gz ODRMXICEYCGPPK-AREMUKBSSA-N 0 0 505.615 5.453 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000101445253 554773793 /nfs/dbraw/zinc/77/37/93/554773793.db2.gz ZOHUCDKWTARKOY-CVKSISIWSA-N 0 0 538.607 5.639 50 30 KKEARN C=C(C)COc1cc2oc(=O)c(CC(=O)N3CCc4[nH]cnc4[C@H]3c3ccc(OC)cc3)c(C)c2cc1Cl ZINC000101475555 554781918 /nfs/dbraw/zinc/78/19/18/554781918.db2.gz GSANUCDVPCCTHV-MUUNZHRXSA-N 0 0 534.012 5.158 50 30 KKEARN CCCCc1c/c(=N\OC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000101484551 554785345 /nfs/dbraw/zinc/78/53/45/554785345.db2.gz XEGDQNXNRMIFSG-GLDGAQJLSA-N 0 0 628.791 7.190 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000101530279 554794529 /nfs/dbraw/zinc/79/45/29/554794529.db2.gz KMSLOYAUYQGRLD-FYDOWJRZSA-N 0 0 571.482 6.992 50 30 KKEARN C=CCc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000101633460 554812167 /nfs/dbraw/zinc/81/21/67/554812167.db2.gz QALNNJFOOAECSN-IWIPYMOSSA-N 0 0 584.481 7.499 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000101633913 554812397 /nfs/dbraw/zinc/81/23/97/554812397.db2.gz NHTVSNDAUKCTRH-SXGWCWSVSA-N 0 0 605.223 5.026 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)N(c5ccccc5)c5ccccc5)n42)COC(C)(C)C3)cc1 ZINC000101670259 554823593 /nfs/dbraw/zinc/82/35/93/554823593.db2.gz DBPSEQLBRFOJAS-UHFFFAOYSA-N 0 0 574.710 6.961 50 30 KKEARN O=C(Nc1ccc(I)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000101679124 554828170 /nfs/dbraw/zinc/82/81/70/554828170.db2.gz JNKVRWALUVNABL-UHFFFAOYSA-N 0 0 565.067 5.969 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3OC)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000101725907 554832726 /nfs/dbraw/zinc/83/27/26/554832726.db2.gz XIGRMYSUICYHGW-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(OC)c2OC)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000101725890 554832731 /nfs/dbraw/zinc/83/27/31/554832731.db2.gz RBXFHEGKSPZFMB-ZPOUEADKSA-N 0 0 548.705 7.096 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccc(Br)o3)n1Cc1ccccc1)CCCC2 ZINC000101726858 554832969 /nfs/dbraw/zinc/83/29/69/554832969.db2.gz YSSJVYNIFURWMF-UHFFFAOYSA-N 0 0 554.495 5.892 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101963200 554853578 /nfs/dbraw/zinc/85/35/78/554853578.db2.gz AQRDEWUIQNOOQO-MUUNZHRXSA-N 0 0 605.522 6.553 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000102035954 554869102 /nfs/dbraw/zinc/86/91/02/554869102.db2.gz KVWUUTQTCWSKMS-YIECNSLDSA-N 0 0 565.607 5.154 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)C2)cc1OC ZINC000102051606 554871533 /nfs/dbraw/zinc/87/15/33/554871533.db2.gz XWLNMAHALBTTON-YKGWIAGDSA-N 0 0 538.604 5.299 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000102052588 554871960 /nfs/dbraw/zinc/87/19/60/554871960.db2.gz ASQQFOANBRCAIA-SIBVEZHUSA-N 0 0 538.560 5.049 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2cc4c(cc2[C@@H]3c2ccc(Cl)c(Cl)c2)OCO4)cc1OC ZINC000102054448 554872442 /nfs/dbraw/zinc/87/24/42/554872442.db2.gz FBROOFYUKJGYTC-OQRWROFFSA-N 0 0 524.400 6.698 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102055171 554872660 /nfs/dbraw/zinc/87/26/60/554872660.db2.gz LLZFROOGVPLWNQ-AOMKIAJQSA-N 0 0 523.536 6.084 50 30 KKEARN CCCCCCCCCCn1nc(C)c(NC(=O)CC(=O)Nc2c(C)nn(CCCCCCCCCC)c2C)c1C ZINC000102055709 554872868 /nfs/dbraw/zinc/87/28/68/554872868.db2.gz BYYPLZXJNNEXQA-UHFFFAOYSA-N 0 0 570.867 8.562 50 30 KKEARN CCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc3c(c2)C(=O)[C@H](Sc2cccc4cccnc42)C3)C1=O ZINC000102057603 554873096 /nfs/dbraw/zinc/87/30/96/554873096.db2.gz LLBLXBWTJPYQCX-KAODMTDESA-N 0 0 612.880 9.885 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1 ZINC000102057754 554873102 /nfs/dbraw/zinc/87/31/02/554873102.db2.gz ZAJJLSMPXVJWND-UHFFFAOYSA-N 0 0 541.600 6.044 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076775 554875158 /nfs/dbraw/zinc/87/51/58/554875158.db2.gz PZUCUSUHDQSCFK-CZNAVJSXSA-N 0 0 503.551 5.098 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\CCc3ccccc3)N(CCc3ccccc3)C1=O)S2 ZINC000102143702 554888938 /nfs/dbraw/zinc/88/89/38/554888938.db2.gz AQWVTMUAAUBWRA-BZUZNSEFSA-N 0 0 501.677 5.823 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Br)cc3)N(CCc3ccccc3)C1=O)S2 ZINC000102143608 554888958 /nfs/dbraw/zinc/88/89/58/554888958.db2.gz XXAMCDMTUSNTOO-CNPBBGJZSA-N 0 0 552.519 6.675 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(C(F)(F)F)c3)N(c3ccc(F)cc3)C1=O)S2 ZINC000102145045 554889309 /nfs/dbraw/zinc/88/93/09/554889309.db2.gz PALRUDCSFJNFGB-NCGDTODHSA-N 0 0 531.556 7.032 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(C(F)(F)F)c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000102153474 554889653 /nfs/dbraw/zinc/88/96/53/554889653.db2.gz GMBVKAWVGKEGHD-KVPKBOQSSA-N 0 0 529.565 6.598 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000102175244 554891914 /nfs/dbraw/zinc/89/19/14/554891914.db2.gz WAVOYFWUIVBBGV-TXTDGAROSA-N 0 0 512.650 6.344 50 30 KKEARN O=C1c2ccccc2C(=O)N1c1cc(N2C(=O)c3ccccc3C2=O)c(/N=C/c2ccccc2O)cc1/N=C/c1ccccc1O ZINC000102195826 554895443 /nfs/dbraw/zinc/89/54/43/554895443.db2.gz TVMIDGKDYXODGK-RIOOQTRLSA-N 0 0 606.594 6.200 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000102208833 554896381 /nfs/dbraw/zinc/89/63/81/554896381.db2.gz HFNQWOQFFVXKEO-ZEKUIMIZSA-N 0 0 532.710 7.720 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000102221403 554899346 /nfs/dbraw/zinc/89/93/46/554899346.db2.gz BAVMXGJESVTYIT-UHFFFAOYSA-N 0 0 596.551 7.255 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102257669 554904742 /nfs/dbraw/zinc/90/47/42/554904742.db2.gz PQSDQEAWSXQJFX-RUZDIDTESA-N 0 0 508.043 5.693 50 30 KKEARN C[C@H](NC(=O)/C(C#N)=c1/s/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000102260617 554905162 /nfs/dbraw/zinc/90/51/62/554905162.db2.gz KKDTZQYHBFWITR-SYYUHEFMSA-N 0 0 585.607 5.558 50 30 KKEARN CCCCOC(=O)c1cc(/N=C/c2ccc(OC)cc2)cc2c1-c1ccc(/N=C/c3ccc(OC)cc3)cc1C2=O ZINC000102297429 554907947 /nfs/dbraw/zinc/90/79/47/554907947.db2.gz ILQGRYPRSSXXAT-CJVLSJCWSA-N 0 0 546.623 7.373 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(N=NCc2ccc(Br)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000102298357 554908015 /nfs/dbraw/zinc/90/80/15/554908015.db2.gz NITOKQXPLQLVTJ-VAMRJTSQSA-N 0 0 587.607 7.113 50 30 KKEARN N=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)C(=N/N(c2ccccc2)c2ccccc2)/C1=N/N(c1ccccc1)c1ccccc1 ZINC000102299779 554908208 /nfs/dbraw/zinc/90/82/08/554908208.db2.gz YDHCQDWMFYCQMR-HMOWGOOSSA-N 0 0 566.621 8.032 50 30 KKEARN CN/N=C(/C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000102299903 554908449 /nfs/dbraw/zinc/90/84/49/554908449.db2.gz DIBUZWOMXHYDIE-MCXMOPBNSA-N 0 0 599.685 6.878 50 30 KKEARN COc1ccc(/C=N\NS(=O)(=O)c2ccc(Br)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000102304880 554909076 /nfs/dbraw/zinc/90/90/76/554909076.db2.gz WVCILFDQSDETJC-NVJOKUIPSA-N 0 0 581.464 5.575 50 30 KKEARN CCCCCCCCCCCCCCCCSc1ccc(/N=C/c2ccc(N(CC)CC#N)cc2)cc1 ZINC000102313409 554910248 /nfs/dbraw/zinc/91/02/48/554910248.db2.gz JSRRQNDKLFQLBW-OZMGXUMRSA-N 0 0 519.843 10.361 50 30 KKEARN O=C(Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)/C(Cl)=C(/Cl)C(Cl)=C(Cl)Cl ZINC000102315152 554911347 /nfs/dbraw/zinc/91/13/47/554911347.db2.gz HTNXSCNLEAMTEF-YWEYNIOJSA-N 0 0 534.717 9.147 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102377673 554918273 /nfs/dbraw/zinc/91/82/73/554918273.db2.gz ZIYWNACIJPVTHP-SBXHHDGASA-N 0 0 521.411 5.562 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OC)c(OCc4ccccc4)c3)C2)cc1OC ZINC000102411118 554923513 /nfs/dbraw/zinc/92/35/13/554923513.db2.gz FZSAXAZZLWDYFN-RCRUUEGKSA-N 0 0 538.604 5.299 50 30 KKEARN CCCCCCCCCCCCCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 ZINC000102410807 554923552 /nfs/dbraw/zinc/92/35/52/554923552.db2.gz ONOPCLNLVLFURT-UHFFFAOYSA-N 0 0 610.974 10.961 50 30 KKEARN CC1(C)[C@@H](N(O)C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000102412578 554923918 /nfs/dbraw/zinc/92/39/18/554923918.db2.gz AWRFTRMLQHGDQS-HSZRJFAPSA-N 0 0 598.519 7.376 50 30 KKEARN COc1cc(Br)cc(/C=N/c2ccc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O ZINC000102436627 554928339 /nfs/dbraw/zinc/92/83/39/554928339.db2.gz YPFQNXNUJQZQGW-IHXWQEJPSA-N 0 0 610.302 7.808 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000102441636 554929468 /nfs/dbraw/zinc/92/94/68/554929468.db2.gz RBGDKXFABALINA-CSBHBGLHSA-N 0 0 559.021 5.871 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000102444618 554930271 /nfs/dbraw/zinc/93/02/71/554930271.db2.gz BCYPQFYUIWGDKQ-NVIJWRNBSA-N 0 0 573.443 5.400 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102485547 554938267 /nfs/dbraw/zinc/93/82/67/554938267.db2.gz KMJLJGIWKIUUCZ-KQAPWQHSSA-N 0 0 514.603 5.947 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102485331 554938327 /nfs/dbraw/zinc/93/83/27/554938327.db2.gz BQFSOZBGHJSRQA-VEZPTTSMSA-N 0 0 550.611 5.695 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102486048 554938335 /nfs/dbraw/zinc/93/83/35/554938335.db2.gz JWJQISJDCVJMOK-UUALVTFQSA-N 0 0 582.678 6.314 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102487739 554938582 /nfs/dbraw/zinc/93/85/82/554938582.db2.gz KHNVMRSRJPXUCT-IUKMQXEJSA-N 0 0 501.539 5.099 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000102490445 554939137 /nfs/dbraw/zinc/93/91/37/554939137.db2.gz IVRBAAGCCWSYHN-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000102493696 554939965 /nfs/dbraw/zinc/93/99/65/554939965.db2.gz FTJHDPOSVFKTCG-CHJDUVSTSA-N 0 0 540.063 7.118 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102493831 554940024 /nfs/dbraw/zinc/94/00/24/554940024.db2.gz RYDSOYNSHYUJCO-HOGKFDNTSA-N 0 0 535.419 6.002 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000102495353 554940318 /nfs/dbraw/zinc/94/03/18/554940318.db2.gz FDSLQEXKVLDRQT-DFXXOVSGSA-N 0 0 525.004 6.244 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102496970 554941032 /nfs/dbraw/zinc/94/10/32/554941032.db2.gz KYXNLJLLQHZULP-AHPONGEQSA-N 0 0 568.714 5.625 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102497976 554941350 /nfs/dbraw/zinc/94/13/50/554941350.db2.gz LOIUCDARSFSYJN-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102500478 554942910 /nfs/dbraw/zinc/94/29/10/554942910.db2.gz TXWDFIFCPDTCAA-NPJIAGGLSA-N 0 0 535.438 5.953 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504703 554944373 /nfs/dbraw/zinc/94/43/73/554944373.db2.gz DVLUUJZKYXPGNG-ZHHPLPSFSA-N 0 0 504.539 5.387 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000102506445 554944555 /nfs/dbraw/zinc/94/45/55/554944555.db2.gz IBHMEEXIVIBLNP-DFXXOVSGSA-N 0 0 577.519 6.100 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505729 554944596 /nfs/dbraw/zinc/94/45/96/554944596.db2.gz GQMPXPGLADPHRC-ZHHPLPSFSA-N 0 0 520.994 5.902 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102506644 554944659 /nfs/dbraw/zinc/94/46/59/554944659.db2.gz JAKWBXFAUFNBJK-MWCANZRFSA-N 0 0 518.407 5.437 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102510635 554946096 /nfs/dbraw/zinc/94/60/96/554946096.db2.gz YOZZKGMWHOQZDY-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102521364 554949707 /nfs/dbraw/zinc/94/97/07/554949707.db2.gz LCEABNNGCDGOOQ-QMMFTLRZSA-N 0 0 627.620 9.260 50 30 KKEARN Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc1)C1=C(N2)c2ccccc2C1=O ZINC000102527219 554952525 /nfs/dbraw/zinc/95/25/25/554952525.db2.gz PIVYJCCSLCYHFA-HHHXNRCGSA-N 0 0 612.667 7.358 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102529019 554953012 /nfs/dbraw/zinc/95/30/12/554953012.db2.gz UDKJCZVYNRDHFY-MIOXIQPJSA-N 0 0 504.586 5.899 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102532741 554954447 /nfs/dbraw/zinc/95/44/47/554954447.db2.gz CTIKGWRTKHUYCT-KQAPWQHSSA-N 0 0 544.629 5.874 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102533311 554954742 /nfs/dbraw/zinc/95/47/42/554954742.db2.gz JDRZLKXUOYTRIY-ZORLYMSLSA-N 0 0 628.648 9.066 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102533505 554954767 /nfs/dbraw/zinc/95/47/67/554954767.db2.gz AGSYFPKWGLTRJD-SBXHHDGASA-N 0 0 500.576 5.720 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000102533173 554954811 /nfs/dbraw/zinc/95/48/11/554954811.db2.gz ZRBSFDMRVFWRQF-YDJIHCHBSA-N 0 0 535.225 5.464 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533546 554954822 /nfs/dbraw/zinc/95/48/22/554954822.db2.gz COAGWBOSTLUZHQ-NPJIAGGLSA-N 0 0 576.627 5.356 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccccc2)nc1C ZINC000102535243 554955375 /nfs/dbraw/zinc/95/53/75/554955375.db2.gz HUZMCFJHUIYIAF-CJJGVWJISA-N 0 0 568.651 6.142 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541350 554957592 /nfs/dbraw/zinc/95/75/92/554957592.db2.gz QARIVOAGAJVOST-AYWGPLOBSA-N 0 0 515.547 5.538 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102546667 554959521 /nfs/dbraw/zinc/95/95/21/554959521.db2.gz QMJJHSVWTXLMMS-HALAOQOWSA-N 0 0 517.006 6.208 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102547099 554959602 /nfs/dbraw/zinc/95/96/02/554959602.db2.gz RENVDOXSGFSTRX-QMMFTLRZSA-N 0 0 583.169 9.151 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102547534 554959943 /nfs/dbraw/zinc/95/99/43/554959943.db2.gz RHDNGQLAVGJGME-ZTLVYLBESA-N 0 0 541.585 5.771 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102551308 554961975 /nfs/dbraw/zinc/96/19/75/554961975.db2.gz HXITWGGWJGFFJI-VEZPTTSMSA-N 0 0 533.580 5.915 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102552964 554962793 /nfs/dbraw/zinc/96/27/93/554962793.db2.gz BFAWFCZXXIBMCL-VGZNNGDKSA-N 0 0 598.721 7.070 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102554077 554963363 /nfs/dbraw/zinc/96/33/63/554963363.db2.gz MFIOCYLUGPBFDX-NXLSVDECSA-N 0 0 614.720 6.832 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102554411 554963733 /nfs/dbraw/zinc/96/37/33/554963733.db2.gz SIBMBKMCRRABMQ-CZNAVJSXSA-N 0 0 528.630 6.372 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102555205 554964052 /nfs/dbraw/zinc/96/40/52/554964052.db2.gz ZICULTWBAQBLQG-DFXXOVSGSA-N 0 0 529.589 5.267 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102556490 554964715 /nfs/dbraw/zinc/96/47/15/554964715.db2.gz WJGUDYMYWIQUFG-MIOXIQPJSA-N 0 0 543.616 5.310 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557064 554964900 /nfs/dbraw/zinc/96/49/00/554964900.db2.gz JBXMZPWYVMVXPR-FLJNSMSWSA-N 0 0 602.684 6.963 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102559153 554966560 /nfs/dbraw/zinc/96/65/60/554966560.db2.gz WKVNYRAWKOVRQD-FCLPXNLHSA-N 0 0 549.627 5.298 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102561419 554968269 /nfs/dbraw/zinc/96/82/69/554968269.db2.gz ICJBSHULJCAZFF-DDLSXHCZSA-N 0 0 598.721 7.132 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102563548 554969137 /nfs/dbraw/zinc/96/91/37/554969137.db2.gz YXEUHKLEMZFMIR-CZNAVJSXSA-N 0 0 558.612 5.410 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000102564749 554969764 /nfs/dbraw/zinc/96/97/64/554969764.db2.gz BZSFQZUWEQNIGH-YFVVEFNMSA-N 0 0 537.653 5.292 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000102573062 554971251 /nfs/dbraw/zinc/97/12/51/554971251.db2.gz SSFBZCKGYRYUKV-ZORLYMSLSA-N 0 0 533.753 8.598 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606176 554978981 /nfs/dbraw/zinc/97/89/81/554978981.db2.gz KWYMGPGDZMEXFC-YHAMSUFESA-N 0 0 544.604 6.331 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606147 554979013 /nfs/dbraw/zinc/97/90/13/554979013.db2.gz LXCINZNOEVGMHD-QLXKLKPCSA-N 0 0 563.676 5.921 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610854 554980837 /nfs/dbraw/zinc/98/08/37/554980837.db2.gz CLGRYCDXHRLMKM-UUALVTFQSA-N 0 0 572.639 5.881 50 30 KKEARN CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000102629783 554989152 /nfs/dbraw/zinc/98/91/52/554989152.db2.gz RLWHZODLAZUYLG-UHFFFAOYSA-N 0 0 597.623 8.271 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)C=Cc1ccccc1 ZINC000102649576 554995065 /nfs/dbraw/zinc/99/50/65/554995065.db2.gz JRXMEKUHXKDWEB-CSFOGAFKSA-N 0 0 552.324 5.382 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102650908 554995595 /nfs/dbraw/zinc/99/55/95/554995595.db2.gz DWXADWUZUJCYGA-LAOGWUEASA-N 0 0 540.641 6.262 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102651333 554995863 /nfs/dbraw/zinc/99/58/63/554995863.db2.gz RHDNGQLAVGJGME-RKQXULEVSA-N 0 0 541.585 5.771 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652276 554996537 /nfs/dbraw/zinc/99/65/37/554996537.db2.gz DTHIODGYPLTDIV-NYFCFKJUSA-N 0 0 600.693 6.442 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102652211 554996554 /nfs/dbraw/zinc/99/65/54/554996554.db2.gz GHDQPNUKBRKSTN-YJMWBXFMSA-N 0 0 559.663 5.152 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102652417 554996579 /nfs/dbraw/zinc/99/65/79/554996579.db2.gz UFNUIJGCQJZVHC-DFXXOVSGSA-N 0 0 570.667 6.571 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102652789 554996811 /nfs/dbraw/zinc/99/68/11/554996811.db2.gz XINQQCBPBZFJNY-ZCCBWQDPSA-N 0 0 593.680 5.696 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102653069 554997170 /nfs/dbraw/zinc/99/71/70/554997170.db2.gz LNHZPCFIJGPVSW-VMFRQMAUSA-N 0 0 554.668 6.733 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653489 554997180 /nfs/dbraw/zinc/99/71/80/554997180.db2.gz RWQQUWIIFFJOOS-QBTYMPIYSA-N 0 0 590.698 6.181 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102654017 554997360 /nfs/dbraw/zinc/99/73/60/554997360.db2.gz MDRHBJYEDPEMCW-DFXXOVSGSA-N 0 0 544.604 5.052 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102654653 554997754 /nfs/dbraw/zinc/99/77/54/554997754.db2.gz MESFOXYNDGTVDM-ROBPHKHBSA-N 0 0 540.641 6.343 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655918 554998716 /nfs/dbraw/zinc/99/87/16/554998716.db2.gz ZHRRITAEDLOUBC-ZSTRNPGISA-N 0 0 622.674 6.973 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102659985 555000042 /nfs/dbraw/zinc/00/00/42/555000042.db2.gz ZRFWXGRKEDYTMN-GVUSLMEPSA-N 0 0 546.579 6.992 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000102666935 555001638 /nfs/dbraw/zinc/00/16/38/555001638.db2.gz HZOBVQQUTFJAGF-GXDNCXOISA-N 0 0 592.891 6.261 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000102665704 555001687 /nfs/dbraw/zinc/00/16/87/555001687.db2.gz MJECKADPLYITDS-IYGWJSLMSA-N 0 0 504.608 5.662 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000102672598 555002903 /nfs/dbraw/zinc/00/29/03/555002903.db2.gz XOENQRKVIVWAII-SVXHESJVSA-N 0 0 597.736 8.904 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3ccc(Cl)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000102680858 555005206 /nfs/dbraw/zinc/00/52/06/555005206.db2.gz ZKTGFBFBWWLPCC-IHAJHMTMSA-N 0 0 554.046 5.228 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 ZINC000102683528 555006618 /nfs/dbraw/zinc/00/66/18/555006618.db2.gz SPVULZHSEKUSJV-DGPALRBDSA-N 0 0 533.510 8.349 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000102686813 555007169 /nfs/dbraw/zinc/00/71/69/555007169.db2.gz NULHACVIKMGIIJ-JOMNFKBKSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCCCC)cc4)=NN32)cc1 ZINC000102687230 555007209 /nfs/dbraw/zinc/00/72/09/555007209.db2.gz MKJGTXYHRWDRIY-ZFEZZJPFSA-N 0 0 526.721 8.847 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102690265 555008006 /nfs/dbraw/zinc/00/80/06/555008006.db2.gz AVBKNRREHSGCDE-SBXHHDGASA-N 0 0 519.022 6.537 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102691537 555008613 /nfs/dbraw/zinc/00/86/13/555008613.db2.gz VVXSKCZHYOYEPH-IUKMQXEJSA-N 0 0 530.602 5.565 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694668 555009718 /nfs/dbraw/zinc/00/97/18/555009718.db2.gz QVRLYDBQUUSADW-AYWGPLOBSA-N 0 0 535.021 6.156 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102697102 555011914 /nfs/dbraw/zinc/01/19/14/555011914.db2.gz VPEASKNJDVJONF-MIOXIQPJSA-N 0 0 520.585 5.600 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102703452 555013588 /nfs/dbraw/zinc/01/35/88/555013588.db2.gz CVYNUHWMEXFBQB-WGGXKBPPSA-N 0 0 536.584 5.305 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102706162 555014605 /nfs/dbraw/zinc/01/46/05/555014605.db2.gz PAYNYEPXUNPBGQ-IUKMQXEJSA-N 0 0 514.622 6.922 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)cc1OC ZINC000102706191 555014778 /nfs/dbraw/zinc/01/47/78/555014778.db2.gz COAJRSQLBRYHFG-TXTDGAROSA-N 0 0 531.605 5.049 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102706526 555015095 /nfs/dbraw/zinc/01/50/95/555015095.db2.gz ZAANQVHICSCWLU-UVDRRRQGSA-N 0 0 519.022 6.510 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102707122 555015352 /nfs/dbraw/zinc/01/53/52/555015352.db2.gz ZFULHIDTPGZWOL-HOGKFDNTSA-N 0 0 519.420 6.248 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000102707339 555015392 /nfs/dbraw/zinc/01/53/92/555015392.db2.gz UIOFJKRFXBLIFH-CJJGVWJISA-N 0 0 528.630 6.335 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102708088 555015607 /nfs/dbraw/zinc/01/56/07/555015607.db2.gz QEIAZMUIVVDUOB-UUALVTFQSA-N 0 0 540.685 7.181 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102709608 555016071 /nfs/dbraw/zinc/01/60/71/555016071.db2.gz ILGWGLBQMURWDJ-CJJGVWJISA-N 0 0 544.629 6.037 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102709613 555016169 /nfs/dbraw/zinc/01/61/69/555016169.db2.gz ILGWGLBQMURWDJ-CZNAVJSXSA-N 0 0 544.629 6.037 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102711411 555016806 /nfs/dbraw/zinc/01/68/06/555016806.db2.gz JXCNNASPTPAWFU-DFXXOVSGSA-N 0 0 513.634 5.940 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714872 555018252 /nfs/dbraw/zinc/01/82/52/555018252.db2.gz HRFMLMPHJCJJCS-IUKMQXEJSA-N 0 0 549.048 6.546 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102714875 555018304 /nfs/dbraw/zinc/01/83/04/555018304.db2.gz UUQAENMSCDURPP-WGGXKBPPSA-N 0 0 539.584 5.893 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715435 555018505 /nfs/dbraw/zinc/01/85/05/555018505.db2.gz BVADPLZXZFIZOP-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000102719907 555019919 /nfs/dbraw/zinc/01/99/19/555019919.db2.gz VHWMRZFNTWMMQW-KQAPWQHSSA-N 0 0 530.602 5.565 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000102726294 555021889 /nfs/dbraw/zinc/02/18/89/555021889.db2.gz KFVDGXGEXQHMRY-LEAFIULHSA-N 0 0 523.471 7.942 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102726153 555021920 /nfs/dbraw/zinc/02/19/20/555021920.db2.gz QUQBOCDOFIIELX-CJJGVWJISA-N 0 0 528.630 6.337 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102729771 555023298 /nfs/dbraw/zinc/02/32/98/555023298.db2.gz WTAUAHWCVXPIRZ-AYWGPLOBSA-N 0 0 549.446 6.256 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102734128 555024584 /nfs/dbraw/zinc/02/45/84/555024584.db2.gz WIUSWSXXNPMSNI-CZNAVJSXSA-N 0 0 528.630 6.337 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102734097 555024637 /nfs/dbraw/zinc/02/46/37/555024637.db2.gz DMMPIRKQADKBTM-CJJGVWJISA-N 0 0 526.658 6.791 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735332 555025345 /nfs/dbraw/zinc/02/53/45/555025345.db2.gz KJZXUQOPYIAIMO-GSYBUTJLSA-N 0 0 517.581 6.424 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735503 555025496 /nfs/dbraw/zinc/02/54/96/555025496.db2.gz SZBRRYZANGIISY-AZIATFRCSA-N 0 0 602.712 7.442 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735372 555025557 /nfs/dbraw/zinc/02/55/57/555025557.db2.gz SLTVRYFZNNNOIL-ZHHPLPSFSA-N 0 0 518.566 5.641 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735547 555025808 /nfs/dbraw/zinc/02/58/08/555025808.db2.gz AOMFXNQLRZDOAH-VDGASQMCSA-N 0 0 609.103 7.478 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@H](C(=O)OCC)C3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102742742 555032547 /nfs/dbraw/zinc/03/25/47/555032547.db2.gz JOFJTIZXXWRMCJ-HOFKKMOUSA-N 0 0 551.709 5.306 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC(C(=O)OCC)CC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102743169 555033690 /nfs/dbraw/zinc/03/36/90/555033690.db2.gz ZFNDPGVOGFQSMF-HHHXNRCGSA-N 0 0 551.709 5.306 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770861 555058503 /nfs/dbraw/zinc/05/85/03/555058503.db2.gz IGBOMNQGXZSGGH-SSELITHESA-N 0 0 559.087 7.197 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102770886 555058673 /nfs/dbraw/zinc/05/86/73/555058673.db2.gz IGFZLPZHMTWSQQ-DDLGZMGRSA-N 0 0 552.696 7.160 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770922 555058685 /nfs/dbraw/zinc/05/86/85/555058685.db2.gz RLIBNWNQZBNIAR-SSELITHESA-N 0 0 545.060 7.023 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102770998 555059081 /nfs/dbraw/zinc/05/90/81/555059081.db2.gz SDQVOKRJKRZQHH-SASZYUHJSA-N 0 0 538.669 6.986 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770987 555059093 /nfs/dbraw/zinc/05/90/93/555059093.db2.gz TVEJMXCEMCTENZ-FZIYRNTBSA-N 0 0 601.725 7.043 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770963 555059105 /nfs/dbraw/zinc/05/91/05/555059105.db2.gz FWFREGLYWZXMRU-ROBPHKHBSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771011 555059108 /nfs/dbraw/zinc/05/91/08/555059108.db2.gz VJMSMBROSDCHSE-HALAOQOWSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771054 555059297 /nfs/dbraw/zinc/05/92/97/555059297.db2.gz MBJZNLIDCLIYCQ-WRPQUVRJSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771336 555060367 /nfs/dbraw/zinc/06/03/67/555060367.db2.gz SLNZQTBQQJFPDY-AIKCTZLLSA-N 0 0 527.558 5.463 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771332 555060405 /nfs/dbraw/zinc/06/04/05/555060405.db2.gz ADPNXSATEHZAJK-NIOKHIIOSA-N 0 0 531.033 6.516 50 30 KKEARN Cc1cc2c(cc1C)N[C@H](c1ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102785004 555067462 /nfs/dbraw/zinc/06/74/62/555067462.db2.gz ZCMAJAVBRDCUQE-PIZIKKFZSA-N 0 0 566.749 8.881 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102797352 555071879 /nfs/dbraw/zinc/07/18/79/555071879.db2.gz HAOITUCLHLQHAM-TXTDGAROSA-N 0 0 506.558 5.895 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102797480 555071906 /nfs/dbraw/zinc/07/19/06/555071906.db2.gz SGRRZUOUMGEQOO-ONQGDUAMSA-N 0 0 509.562 5.196 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc4ccccc43)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812599 555075335 /nfs/dbraw/zinc/07/53/35/555075335.db2.gz ATMCCGGPMUQUOT-UHFFFAOYSA-N 0 0 572.690 7.464 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102856578 555088037 /nfs/dbraw/zinc/08/80/37/555088037.db2.gz VQXVDILTZBPLMR-DHJMZRGKSA-N 0 0 574.655 5.964 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102856717 555088109 /nfs/dbraw/zinc/08/81/09/555088109.db2.gz ICXZTOIBTFWRDX-IUKMQXEJSA-N 0 0 530.602 5.729 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102857214 555088476 /nfs/dbraw/zinc/08/84/76/555088476.db2.gz QNGGJZCPXLKLLQ-SZYGQJGOSA-N 0 0 546.796 8.656 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102857415 555088783 /nfs/dbraw/zinc/08/87/83/555088783.db2.gz FYTXPZJUMOYDFS-NPJIAGGLSA-N 0 0 576.627 5.356 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102857509 555088798 /nfs/dbraw/zinc/08/87/98/555088798.db2.gz BLCLCAWGIAPBMQ-CJJGVWJISA-N 0 0 512.631 6.753 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102859100 555089405 /nfs/dbraw/zinc/08/94/05/555089405.db2.gz PHFJMSAJOWHHNS-WENCHWOGSA-N 0 0 541.644 5.862 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859268 555089807 /nfs/dbraw/zinc/08/98/07/555089807.db2.gz LZBGQOWQAMAEGA-ZZIWUOEGSA-N 0 0 565.047 6.219 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102861603 555091478 /nfs/dbraw/zinc/09/14/78/555091478.db2.gz KTAKARHYGNUMAE-BUANBSPESA-N 0 0 549.446 6.311 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862380 555092245 /nfs/dbraw/zinc/09/22/45/555092245.db2.gz NUUWVHORENNYLX-CZNAVJSXSA-N 0 0 542.657 6.627 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862917 555092475 /nfs/dbraw/zinc/09/24/75/555092475.db2.gz WKVMJSURXHXLKT-ZHHPLPSFSA-N 0 0 504.558 6.498 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102864971 555094439 /nfs/dbraw/zinc/09/44/39/555094439.db2.gz VLTBVFSREKTOCZ-HOGKFDNTSA-N 0 0 506.352 5.252 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866147 555095414 /nfs/dbraw/zinc/09/54/14/555095414.db2.gz QLUCNWSWLUOVMS-QMMFTLRZSA-N 0 0 630.719 6.670 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102866594 555096018 /nfs/dbraw/zinc/09/60/18/555096018.db2.gz ISWAJVXYKNACPZ-ZORLYMSLSA-N 0 0 570.686 5.117 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867042 555096364 /nfs/dbraw/zinc/09/63/64/555096364.db2.gz FOPJYARJLDLORN-FPRSLYQBSA-N 0 0 570.667 6.352 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866873 555096428 /nfs/dbraw/zinc/09/64/28/555096428.db2.gz AHEMDIMHMSFVOL-HTUFKCTLSA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867044 555096465 /nfs/dbraw/zinc/09/64/65/555096465.db2.gz FOPJYARJLDLORN-WKUSSTJHSA-N 0 0 570.667 6.352 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102867323 555096736 /nfs/dbraw/zinc/09/67/36/555096736.db2.gz INOQUTBQBYJUQU-IUKMQXEJSA-N 0 0 528.586 5.401 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102867226 555096753 /nfs/dbraw/zinc/09/67/53/555096753.db2.gz XKXBMVGUPGWXFC-ONQGDUAMSA-N 0 0 533.577 5.250 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102868060 555097662 /nfs/dbraw/zinc/09/76/62/555097662.db2.gz SWTVADLJTFQIAT-XGHLFYEISA-N 0 0 526.614 5.871 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000102868263 555097973 /nfs/dbraw/zinc/09/79/73/555097973.db2.gz UKEWEEPYOUHBLJ-QMMFTLRZSA-N 0 0 582.623 9.352 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102869400 555098753 /nfs/dbraw/zinc/09/87/53/555098753.db2.gz AWBUWVVWWYFYNX-WGGXKBPPSA-N 0 0 527.617 5.691 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102869896 555099814 /nfs/dbraw/zinc/09/98/14/555099814.db2.gz MJIBKGXUHNYANO-MIOXIQPJSA-N 0 0 624.759 7.439 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871305 555101970 /nfs/dbraw/zinc/10/19/70/555101970.db2.gz XJOPMKQSRQCJPX-RPUIFAKWSA-N 0 0 562.644 5.367 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102872099 555102613 /nfs/dbraw/zinc/10/26/13/555102613.db2.gz FPMJSOQOBBTJMY-VEZPTTSMSA-N 0 0 548.724 8.498 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873290 555103804 /nfs/dbraw/zinc/10/38/04/555103804.db2.gz LKYVNJIAFDSEGD-AYWGPLOBSA-N 0 0 551.020 5.910 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000102874121 555104347 /nfs/dbraw/zinc/10/43/47/555104347.db2.gz ZOISXTQBGQWXPS-ZORLYMSLSA-N 0 0 517.754 8.898 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102876000 555105810 /nfs/dbraw/zinc/10/58/10/555105810.db2.gz QGTCRSJEPREWDC-IUKMQXEJSA-N 0 0 530.621 6.758 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102878501 555107835 /nfs/dbraw/zinc/10/78/35/555107835.db2.gz HEWXQBGBNPMSMB-AYWGPLOBSA-N 0 0 508.368 5.483 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000102879082 555108136 /nfs/dbraw/zinc/10/81/36/555108136.db2.gz AUDKGVBSVVTTQP-WGGXKBPPSA-N 0 0 561.078 5.371 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000102881327 555109838 /nfs/dbraw/zinc/10/98/38/555109838.db2.gz ILCGQMRQMYEZQJ-IEQRBHHQSA-N 0 0 612.723 5.132 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881496 555110052 /nfs/dbraw/zinc/11/00/52/555110052.db2.gz PRIXDZSCKPDKAO-GAPOMRBKSA-N 0 0 544.629 5.955 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000102882362 555110791 /nfs/dbraw/zinc/11/07/91/555110791.db2.gz KFKNSIWDWJZLHF-NPJIAGGLSA-N 0 0 543.502 5.556 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884615 555113706 /nfs/dbraw/zinc/11/37/06/555113706.db2.gz YFWOYGQNZBQIRY-JBODOUGHSA-N 0 0 563.031 5.917 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884711 555114183 /nfs/dbraw/zinc/11/41/83/555114183.db2.gz VQPAIFMERJYVAN-VDGASQMCSA-N 0 0 614.720 6.688 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102885552 555115682 /nfs/dbraw/zinc/11/56/82/555115682.db2.gz NSYMHDCOSXHFKB-LODGOHBISA-N 0 0 513.590 5.047 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886255 555116630 /nfs/dbraw/zinc/11/66/30/555116630.db2.gz SSSVFQUORNPMHA-BGLRTBKGSA-N 0 0 572.639 5.749 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886643 555117236 /nfs/dbraw/zinc/11/72/36/555117236.db2.gz BYFNZARDCCOXRA-RFAFYKRUSA-N 0 0 542.613 5.653 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887065 555117797 /nfs/dbraw/zinc/11/77/97/555117797.db2.gz JZJGRYSKRWGPNW-YZUJGMDRSA-N 0 0 590.657 7.047 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887158 555118190 /nfs/dbraw/zinc/11/81/90/555118190.db2.gz IHNBFGHVAILJJJ-CWMDRHISSA-N 0 0 602.665 5.671 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887244 555118378 /nfs/dbraw/zinc/11/83/78/555118378.db2.gz RTHQXQUYQWGYDB-LLRJPKBTSA-N 0 0 598.721 7.050 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887167 555118484 /nfs/dbraw/zinc/11/84/84/555118484.db2.gz MHINJCUHGYAIJX-VEZPTTSMSA-N 0 0 630.719 6.670 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887354 555119298 /nfs/dbraw/zinc/11/92/98/555119298.db2.gz AIDHPMBPRMNHNY-VDGASQMCSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888199 555120748 /nfs/dbraw/zinc/12/07/48/555120748.db2.gz OHJHLKFYRIFQFV-WKUSSTJHSA-N 0 0 589.113 7.468 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102888286 555121171 /nfs/dbraw/zinc/12/11/71/555121171.db2.gz PUNFPFKTKIWVQD-QFIPXVFZSA-N 0 0 576.352 8.541 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888787 555122102 /nfs/dbraw/zinc/12/21/02/555122102.db2.gz HUUQWLZHHRYXKK-LLAWDOGUSA-N 0 0 575.086 7.078 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889739 555124163 /nfs/dbraw/zinc/12/41/63/555124163.db2.gz SMDXLISVZLECHP-HYVCFMKYSA-N 0 0 584.694 6.824 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889936 555124841 /nfs/dbraw/zinc/12/48/41/555124841.db2.gz UWCZCKDWXQRFAB-YENBHRBSSA-N 0 0 568.695 7.042 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102890151 555125060 /nfs/dbraw/zinc/12/50/60/555125060.db2.gz LXCJCFJVPZIMSY-WGGXKBPPSA-N 0 0 519.553 5.872 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102890158 555125103 /nfs/dbraw/zinc/12/51/03/555125103.db2.gz HNWRCUJOIKYFRQ-NPJIAGGLSA-N 0 0 528.586 5.265 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891534 555127468 /nfs/dbraw/zinc/12/74/68/555127468.db2.gz PMPDUNJRHKAXAB-JUQULXIISA-N 0 0 556.640 5.880 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102892262 555128406 /nfs/dbraw/zinc/12/84/06/555128406.db2.gz GSKKMTYYJKFOOP-QMMFTLRZSA-N 0 0 533.580 5.659 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102893348 555130836 /nfs/dbraw/zinc/13/08/36/555130836.db2.gz KDZFHYFJGVVDAV-QJGFIUGVSA-N 0 0 542.632 5.605 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000102893524 555131083 /nfs/dbraw/zinc/13/10/83/555131083.db2.gz XKISSRLHRYJTHY-RVKWYQKSSA-N 0 0 576.649 6.005 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893634 555131292 /nfs/dbraw/zinc/13/12/92/555131292.db2.gz HORZKSRFQKXENV-ONQGDUAMSA-N 0 0 588.638 5.500 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893633 555131311 /nfs/dbraw/zinc/13/13/11/555131311.db2.gz HORZKSRFQKXENV-UUALVTFQSA-N 0 0 588.638 5.500 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102893718 555131442 /nfs/dbraw/zinc/13/14/42/555131442.db2.gz CEMFFTXZNMFDBH-WGGXKBPPSA-N 0 0 558.631 5.298 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893899 555131621 /nfs/dbraw/zinc/13/16/21/555131621.db2.gz GPZUMBYBKUHHCP-IUKMQXEJSA-N 0 0 544.585 5.101 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893989 555131905 /nfs/dbraw/zinc/13/19/05/555131905.db2.gz KKPWALZUXYAKGA-NPJIAGGLSA-N 0 0 560.628 5.519 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894488 555132404 /nfs/dbraw/zinc/13/24/04/555132404.db2.gz YIUZNRZUZKVLPF-WGGXKBPPSA-N 0 0 600.693 6.662 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894469 555132485 /nfs/dbraw/zinc/13/24/85/555132485.db2.gz AZTXZJNFHMQUIO-RFAFYKRUSA-N 0 0 561.059 6.688 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894455 555132624 /nfs/dbraw/zinc/13/26/24/555132624.db2.gz QOOPQULXEIRCJI-JDSQIOQSSA-N 0 0 605.112 7.087 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894713 555132835 /nfs/dbraw/zinc/13/28/35/555132835.db2.gz HNJMTSZRYIGONN-IIHDFJPDSA-N 0 0 576.671 5.613 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895053 555133571 /nfs/dbraw/zinc/13/35/71/555133571.db2.gz CQPSKRMPVMJZKL-VZHVMDKCSA-N 0 0 572.639 5.662 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894950 555133587 /nfs/dbraw/zinc/13/35/87/555133587.db2.gz GKRGJUMFTXSWCZ-IQKFOVTFSA-N 0 0 600.693 6.498 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102895212 555133827 /nfs/dbraw/zinc/13/38/27/555133827.db2.gz WUFNMBKRGDBSRU-LODGOHBISA-N 0 0 512.606 5.596 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895505 555134713 /nfs/dbraw/zinc/13/47/13/555134713.db2.gz OAECDOKJNVCFPT-IUKMQXEJSA-N 0 0 544.585 5.101 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896074 555135757 /nfs/dbraw/zinc/13/57/57/555135757.db2.gz HYUCLXFLKZBLKT-MIOXIQPJSA-N 0 0 616.692 6.280 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896160 555135811 /nfs/dbraw/zinc/13/58/11/555135811.db2.gz AWBHLLMJZTUOKZ-NXLSVDECSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000102896263 555136056 /nfs/dbraw/zinc/13/60/56/555136056.db2.gz FOPDDZAYOXNRDZ-AHPONGEQSA-N 0 0 551.743 8.737 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897184 555137569 /nfs/dbraw/zinc/13/75/69/555137569.db2.gz MMWRZLYIGBJROA-UJWLLDLUSA-N 0 0 542.613 5.653 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102899406 555139090 /nfs/dbraw/zinc/13/90/90/555139090.db2.gz WJPJXHWSKBRNSP-WGGXKBPPSA-N 0 0 558.631 5.298 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102899754 555139628 /nfs/dbraw/zinc/13/96/28/555139628.db2.gz HQNCNAMBBOPZBZ-GSYBUTJLSA-N 0 0 556.659 5.851 50 30 KKEARN CC1=Nc2nc(SCc3ccc(Cl)cc3)nn2[C@@H](c2ccc(Cl)cc2)C1C(=O)c1ccc(Cl)cc1 ZINC000102922268 555147243 /nfs/dbraw/zinc/14/72/43/555147243.db2.gz LUSALFSFSWSHHN-QHCPKHFHSA-N 0 0 541.891 7.702 50 30 KKEARN O=C(c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2[C@H]2NN3C(c4cccc(C(F)(F)F)c4)=Cc4ccccc4[C@H]3NN12 ZINC000102924567 555148638 /nfs/dbraw/zinc/14/86/38/555148638.db2.gz USUULTHGZLQPGX-CONSDPRKSA-N 0 0 604.554 7.798 50 30 KKEARN O=C(COc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)F ZINC000102924820 555148966 /nfs/dbraw/zinc/14/89/66/555148966.db2.gz MGUUBUPMJJGOMS-UHFFFAOYSA-N 0 0 572.402 7.107 50 30 KKEARN O=C(CNc1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000102924862 555148977 /nfs/dbraw/zinc/14/89/77/555148977.db2.gz IWFFYOIMLVCPCK-QNGWXLTQSA-N 0 0 587.417 6.155 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102925126 555149390 /nfs/dbraw/zinc/14/93/90/555149390.db2.gz JZWZZAWULVNKFX-ZORLYMSLSA-N 0 0 554.687 5.280 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1C(Nc1ccc(C)cc1)=N[C@](c1ccc(OC)cc1)(C(F)(F)F)O2 ZINC000102925061 555149423 /nfs/dbraw/zinc/14/94/23/555149423.db2.gz VNOOOYOZEXKFPR-MHZLTWQESA-N 0 0 536.510 5.452 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102926690 555151147 /nfs/dbraw/zinc/15/11/47/555151147.db2.gz GPHYHXKEJOAAQG-WGGXKBPPSA-N 0 0 504.586 5.899 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102926583 555151170 /nfs/dbraw/zinc/15/11/70/555151170.db2.gz SWLUDBSUGORAAX-JLPDLQRYSA-N 0 0 523.626 5.046 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102927231 555151890 /nfs/dbraw/zinc/15/18/90/555151890.db2.gz DBHZNSJCBXWOQA-ONQGDUAMSA-N 0 0 500.595 5.445 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102928022 555153200 /nfs/dbraw/zinc/15/32/00/555153200.db2.gz FSJOFDCBJXYWGG-RWMNMRIUSA-N 0 0 556.659 5.995 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102928020 555153215 /nfs/dbraw/zinc/15/32/15/555153215.db2.gz FSJOFDCBJXYWGG-WENCHWOGSA-N 0 0 556.659 5.995 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102929122 555154845 /nfs/dbraw/zinc/15/48/45/555154845.db2.gz DEQWBZCLQHZEIN-CJJGVWJISA-N 0 0 540.443 6.339 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl ZINC000102930072 555156445 /nfs/dbraw/zinc/15/64/45/555156445.db2.gz VXTLQVBUDLIZSN-VEZPTTSMSA-N 0 0 617.068 10.006 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102930557 555157351 /nfs/dbraw/zinc/15/73/51/555157351.db2.gz OLVONWKSHWUYRE-NXLSWJSLSA-N 0 0 516.575 5.257 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102932342 555159925 /nfs/dbraw/zinc/15/99/25/555159925.db2.gz HMULVJLCUYGMDF-SZYGQJGOSA-N 0 0 582.741 6.016 50 30 KKEARN CCCCCCCCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(CNc4ccc(C)cc4)nn13)CCCC2 ZINC000102934393 555161562 /nfs/dbraw/zinc/16/15/62/555161562.db2.gz CJAMGXSEZNTFED-UHFFFAOYSA-N 0 0 541.809 7.994 50 30 KKEARN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000102934853 555161985 /nfs/dbraw/zinc/16/19/85/555161985.db2.gz XRBFSEGAMKNINB-UHFFFAOYSA-N 0 0 603.947 7.255 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000102934858 555162020 /nfs/dbraw/zinc/16/20/20/555162020.db2.gz FZNVOHGNCYAYDM-SZYGQJGOSA-N 0 0 582.741 6.016 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102934906 555162271 /nfs/dbraw/zinc/16/22/71/555162271.db2.gz FAGMWUHKXRGLDI-RDGASKBCSA-N 0 0 576.649 6.005 50 30 KKEARN CCCCC(=O)C1=C(NCCCCCCNC2=C(C(=O)CCCC)C(=O)C[C@H](c3ccccc3)C2)C[C@@H](c2ccccc2)CC1=O ZINC000102935299 555162775 /nfs/dbraw/zinc/16/27/75/555162775.db2.gz WWVLPVCYBPUOOK-ROJLCIKYSA-N 0 0 624.866 8.046 50 30 KKEARN COc1ccc(C=C2C(=O)C(Nc3ccc(Br)cc3)=C[C@@H]2Nc2ccc(Br)cc2)cc1OC ZINC000102939100 555167853 /nfs/dbraw/zinc/16/78/53/555167853.db2.gz XHFSNQXTKJUEGY-YRUATGHUSA-N 0 0 570.281 6.672 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccccc1Br)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000102940356 555168937 /nfs/dbraw/zinc/16/89/37/555168937.db2.gz LNNRIDJDXPDNTD-PSXMRANNSA-N 0 0 570.407 5.351 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(=O)[C@H](C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000102942655 555170789 /nfs/dbraw/zinc/17/07/89/555170789.db2.gz QOJVZOOCNMVEBA-VSGBNLITSA-N 0 0 608.732 5.333 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(NC3=C(NC(=O)c4ccc(Cl)cc4)C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000102942852 555170794 /nfs/dbraw/zinc/17/07/94/555170794.db2.gz IZVNYHKWTFMULA-UHFFFAOYSA-N 0 0 572.042 5.582 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000102947089 555171907 /nfs/dbraw/zinc/17/19/07/555171907.db2.gz OCLQXWGZBODCBO-MHZLTWQESA-N 0 0 534.056 9.789 50 30 KKEARN O=C(/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1)c1ccccc1 ZINC000102970649 555181367 /nfs/dbraw/zinc/18/13/67/555181367.db2.gz IOFAXQNATJLMFW-LKUDQCMESA-N 0 0 556.665 6.001 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)(C)C ZINC000102990895 555192308 /nfs/dbraw/zinc/19/23/08/555192308.db2.gz DGCRCQDFMACTFC-UHFFFAOYSA-N 0 0 500.680 5.856 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@@H](C)CC ZINC000102991027 555192341 /nfs/dbraw/zinc/19/23/41/555192341.db2.gz OZASQQNCAGYTEI-QHCPKHFHSA-N 0 0 500.680 5.856 50 30 KKEARN CCCCCCCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000102992217 555192997 /nfs/dbraw/zinc/19/29/97/555192997.db2.gz FCNMOCJYDSGAIY-UHFFFAOYSA-N 0 0 510.686 5.806 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)C ZINC000102995406 555194993 /nfs/dbraw/zinc/19/49/93/555194993.db2.gz GNPIJARZTAVKPF-UHFFFAOYSA-N 0 0 500.680 5.856 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)c1ccc(CC)cc1 ZINC000102995432 555195001 /nfs/dbraw/zinc/19/50/01/555195001.db2.gz XQKRLPUBGCMKAX-UHFFFAOYSA-N 0 0 544.559 7.518 50 30 KKEARN CCCCCCCCC(=O)N(CCC(C)C)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000102995614 555195177 /nfs/dbraw/zinc/19/51/77/555195177.db2.gz LFGOJUFTUWUHLI-UHFFFAOYSA-N 0 0 550.715 7.086 50 30 KKEARN CCCCCCCCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000102995905 555195402 /nfs/dbraw/zinc/19/54/02/555195402.db2.gz LNPYBYZCTLCTDW-UHFFFAOYSA-N 0 0 599.813 6.058 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000102996057 555195494 /nfs/dbraw/zinc/19/54/94/555195494.db2.gz KBIGMKAAQCFSKS-PMERELPUSA-N 0 0 509.760 5.816 50 30 KKEARN CCCCCCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102996126 555195802 /nfs/dbraw/zinc/19/58/02/555195802.db2.gz DARZYHRWBVYRJG-UHFFFAOYSA-N 0 0 545.131 6.459 50 30 KKEARN N#Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2N2CCCC2)cc1 ZINC000102996321 555195943 /nfs/dbraw/zinc/19/59/43/555195943.db2.gz DLAMJXRZSFZXPF-UHFFFAOYSA-N 0 0 545.448 5.284 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C1CCCCC1 ZINC000102997577 555197001 /nfs/dbraw/zinc/19/70/01/555197001.db2.gz BFNLQPGRPFIGHF-UHFFFAOYSA-N 0 0 528.778 8.026 50 30 KKEARN CCCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1 ZINC000102997626 555197007 /nfs/dbraw/zinc/19/70/07/555197007.db2.gz HGSVJDKUHSNEJX-UHFFFAOYSA-N 0 0 525.734 5.418 50 30 KKEARN CCCCCCCCCC(=O)N(CCCOC)CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000102997674 555197032 /nfs/dbraw/zinc/19/70/32/555197032.db2.gz SAOYKURVEGIOKT-UHFFFAOYSA-N 0 0 504.712 6.422 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@@H](C)CC ZINC000102998164 555197437 /nfs/dbraw/zinc/19/74/37/555197437.db2.gz IVISPJKNNJWORQ-LAUBAEHRSA-N 0 0 523.541 6.578 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 ZINC000102998158 555197480 /nfs/dbraw/zinc/19/74/80/555197480.db2.gz PZRNNQHXIYSUTB-JOCHJYFZSA-N 0 0 522.671 5.741 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NCCCOC)c1 ZINC000102998386 555197677 /nfs/dbraw/zinc/19/76/77/555197677.db2.gz DKCUWGJYBQVRDY-UHFFFAOYSA-N 0 0 552.760 5.867 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000102999614 555199260 /nfs/dbraw/zinc/19/92/60/555199260.db2.gz OBIWSUPBRNQQMS-UHFFFAOYSA-N 0 0 572.787 6.654 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102999662 555199534 /nfs/dbraw/zinc/19/95/34/555199534.db2.gz PHVMKOULFJKBIW-PMERELPUSA-N 0 0 593.212 8.393 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1 ZINC000103000908 555200778 /nfs/dbraw/zinc/20/07/78/555200778.db2.gz KIVXMWGXSDRKBP-NDEPHWFRSA-N 0 0 513.723 7.250 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000103002400 555201968 /nfs/dbraw/zinc/20/19/68/555201968.db2.gz VBASIBCXBUUTAI-SANMLTNESA-N 0 0 587.067 7.750 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103008325 555205055 /nfs/dbraw/zinc/20/50/55/555205055.db2.gz WZKRXXLLIGYYBV-KJYTXNCISA-N 0 0 601.099 5.876 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Cl ZINC000103009570 555205445 /nfs/dbraw/zinc/20/54/45/555205445.db2.gz PRWWWXKEXKBKPZ-UHFFFAOYSA-N 0 0 598.474 6.356 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000103014882 555208516 /nfs/dbraw/zinc/20/85/16/555208516.db2.gz JUZBEWOKLQXTOU-WUMKDDEVSA-N 0 0 611.547 6.582 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015063 555208637 /nfs/dbraw/zinc/20/86/37/555208637.db2.gz QCCSMRCOUPNMKQ-NIJXNBFTSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015365 555208979 /nfs/dbraw/zinc/20/89/79/555208979.db2.gz XCTHBCGREULSSM-LIKDZFNVSA-N 0 0 609.119 6.376 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)co3)CC2)cc1 ZINC000103016944 555209769 /nfs/dbraw/zinc/20/97/69/555209769.db2.gz GKDLCFZUOKKXRZ-UHFFFAOYSA-N 0 0 553.099 6.179 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)NCC(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 ZINC000103017486 555210333 /nfs/dbraw/zinc/21/03/33/555210333.db2.gz URVXVFPGZSTXIU-UHFFFAOYSA-N 0 0 524.662 5.043 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103021892 555213120 /nfs/dbraw/zinc/21/31/20/555213120.db2.gz QJAFTRLYXVEQFF-DVHCVUMVSA-N 0 0 537.584 5.745 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103021884 555213156 /nfs/dbraw/zinc/21/31/56/555213156.db2.gz YTTIWACZDOHBJN-SWYRRKHMSA-N 0 0 534.565 5.506 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103022998 555213792 /nfs/dbraw/zinc/21/37/92/555213792.db2.gz ZAJWTCVYOYMZJC-DVHCVUMVSA-N 0 0 569.601 6.486 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 ZINC000103024213 555214634 /nfs/dbraw/zinc/21/46/34/555214634.db2.gz BVPCHUUSDYVGCI-UHFFFAOYSA-N 0 0 521.458 5.967 50 30 KKEARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103025037 555215281 /nfs/dbraw/zinc/21/52/81/555215281.db2.gz VHAXUNRWSMNADH-QLXKLKPCSA-N 0 0 613.599 6.245 50 30 KKEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000103026508 555216373 /nfs/dbraw/zinc/21/63/73/555216373.db2.gz HMFZETMVTLFWTK-IOYDYCAWSA-N 0 0 506.071 6.111 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000103028872 555218104 /nfs/dbraw/zinc/21/81/04/555218104.db2.gz YEKKNBGKHJZRQN-UHFFFAOYSA-N 0 0 604.084 5.769 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000103055925 555237183 /nfs/dbraw/zinc/23/71/83/555237183.db2.gz HCHMIMOEQMCTEE-UHFFFAOYSA-N 0 0 553.427 5.115 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1cccc(OC)c1 ZINC000103066614 555246965 /nfs/dbraw/zinc/24/69/65/555246965.db2.gz NHOHHKWTYLKUFI-UHFFFAOYSA-N 0 0 543.668 5.534 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000103068504 555249196 /nfs/dbraw/zinc/24/91/96/555249196.db2.gz GQVHBSIZVFYJRN-UHFFFAOYSA-N 0 0 531.707 6.512 50 30 KKEARN CCOc1cc(C=NNc2cccc(Br)c2)cc(I)c1OC(=O)c1ccccc1 ZINC000103069240 555249964 /nfs/dbraw/zinc/24/99/64/555249964.db2.gz MSGJEQVRVGOKJH-QFEZKATASA-N 0 0 565.205 6.118 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(COc2ccccc2Cl)n1-c1ccccc1)=C1Nc2ccccc2N1 ZINC000103070062 555250882 /nfs/dbraw/zinc/25/08/82/555250882.db2.gz QYFNUHCELRZPRR-UHFFFAOYSA-N 0 0 548.024 5.083 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000103070020 555250917 /nfs/dbraw/zinc/25/09/17/555250917.db2.gz IBWMRJHTFOIGHV-UHFFFAOYSA-N 0 0 513.729 6.437 50 30 KKEARN CCCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000103072313 555252338 /nfs/dbraw/zinc/25/23/38/555252338.db2.gz NZNTYAAYFZJHON-UHFFFAOYSA-N 0 0 536.688 6.840 50 30 KKEARN N#CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000103080844 555259733 /nfs/dbraw/zinc/25/97/33/555259733.db2.gz CAXLWKDOPQUGOO-UHFFFAOYSA-N 0 0 531.016 6.247 50 30 KKEARN COc1ccccc1N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C(=O)NCc2ccccc2)CC1 ZINC000103090845 555269637 /nfs/dbraw/zinc/26/96/37/555269637.db2.gz RORMDTLBNXTJDA-UHFFFAOYSA-N 0 0 560.658 5.467 50 30 KKEARN O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 ZINC000103092101 555271130 /nfs/dbraw/zinc/27/11/30/555271130.db2.gz JTNAIXAGFMIANN-UHFFFAOYSA-N 0 0 548.502 7.886 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000103113548 555286860 /nfs/dbraw/zinc/28/68/60/555286860.db2.gz WARFGKGAZUPTLN-RBUKOAKNSA-N 0 0 604.548 6.762 50 30 KKEARN CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000103124443 555292305 /nfs/dbraw/zinc/29/23/05/555292305.db2.gz JNUKHSALCSTCRJ-UHFFFAOYSA-N 0 0 592.519 6.046 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000103124592 555292458 /nfs/dbraw/zinc/29/24/58/555292458.db2.gz PGMCAARPCIFLTM-UHFFFAOYSA-N 0 0 536.123 5.337 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)cc1Br ZINC000103128792 555297041 /nfs/dbraw/zinc/29/70/41/555297041.db2.gz VYUMEGAYOMGQSG-HHHXNRCGSA-N 0 0 584.495 6.791 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N([C@@H]3CC(=O)N(c4ccccc4)C3=O)C3CCCCC3)n2)cc1 ZINC000103129643 555298161 /nfs/dbraw/zinc/29/81/61/555298161.db2.gz ALQLIIJXFWDDKH-HHHXNRCGSA-N 0 0 622.669 6.233 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Br)c2)cc1C ZINC000103143823 555311949 /nfs/dbraw/zinc/31/19/49/555311949.db2.gz OJCQDEZOEDLCHK-MOBKVPTQSA-N 0 0 502.405 5.005 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3C#N)(C(=O)NCC3CC3)C[C@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103153740 555319026 /nfs/dbraw/zinc/31/90/26/555319026.db2.gz BCRWASXPYKOXBF-XWDJFTLGSA-N 0 0 558.597 5.258 50 30 KKEARN Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2[C@H](Cc2ccccc2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103197383 555335469 /nfs/dbraw/zinc/33/54/69/555335469.db2.gz JCIJCEATUMYFQH-LJAQVGFWSA-N 0 0 562.674 6.984 50 30 KKEARN COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000103224736 555341419 /nfs/dbraw/zinc/34/14/19/555341419.db2.gz ZXDCMQCCMNFJKY-QGZVFWFLSA-N 0 0 556.566 5.165 50 30 KKEARN Cc1cccc(CSc2nnc(CNC(=O)Nc3ccc(C#N)cc3)n2-c2cc(Cl)ccc2Cl)c1 ZINC000103228356 555341774 /nfs/dbraw/zinc/34/17/74/555341774.db2.gz KHXCFBAXIZEASH-UHFFFAOYSA-N 0 0 523.449 6.368 50 30 KKEARN N#Cc1cccc([C@H](CC(=O)NCCc2ccccn2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000103428956 555411686 /nfs/dbraw/zinc/41/16/86/555411686.db2.gz PMWKMJHUHOVFQC-NDEPHWFRSA-N 0 0 537.038 6.630 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 ZINC000103530928 555431202 /nfs/dbraw/zinc/43/12/02/555431202.db2.gz FPHUZMLSEPIFJC-JMDODURXSA-N 0 0 543.417 5.391 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C2=N)S1 ZINC000103680399 555462175 /nfs/dbraw/zinc/46/21/75/555462175.db2.gz QVOKIFFKJYHCRT-FYVTXZDQSA-N 0 0 513.667 6.700 50 30 KKEARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(OCc4ccccc4C#N)c(OC)c3)C2=O)cc1 ZINC000103723463 555465143 /nfs/dbraw/zinc/46/51/43/555465143.db2.gz RTSSVHDWMQUCKD-QFEZKATASA-N 0 0 578.046 5.873 50 30 KKEARN COC(=O)[C@]12CC(C)(C)C[C@](C)(CC3=C1C(=O)C(=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C3)C2 ZINC000103750359 555467324 /nfs/dbraw/zinc/46/73/24/555467324.db2.gz DNRXLIQRMGPRKP-JRWQCOFJSA-N 0 0 512.563 5.346 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N/c3ccc(Br)cc3)N(c3ccccc3)C1=O)S2 ZINC000103751845 555468147 /nfs/dbraw/zinc/46/81/47/555468147.db2.gz CKFVXMAJEWIHRQ-LOIXAWJCSA-N 0 0 524.465 6.636 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3cncn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049803444 562686141 /nfs/dbraw/zinc/68/61/41/562686141.db2.gz MAGRHOKCFZDFJT-HJTUWXLRSA-N 0 0 579.826 7.852 50 30 KKEARN O=C(NCc1ccccc1)c1ccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000104427264 562825122 /nfs/dbraw/zinc/82/51/22/562825122.db2.gz OLWXBGVHZNYXTM-FJSCPDHXSA-N 0 0 542.683 5.996 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100735621 571361136 /nfs/dbraw/zinc/36/11/36/571361136.db2.gz CBVCAPNMASKFQE-SSEXGKCCSA-N 0 0 556.659 5.487 50 30 KKEARN CCCCCCCCN1C(=O)C(=CNc2ccc3c(c2)Cc2ccccc2C3(C)C)C(=O)N(CCCC)C1=O ZINC000103840604 571362225 /nfs/dbraw/zinc/36/22/25/571362225.db2.gz NSZIKYDAITVBPU-VYIQYICTSA-N 0 0 529.725 7.164 50 30 KKEARN Cc1ccc(S(=O)(=O)N=C2CC(=C(C(=O)c3ccccc3)C(=O)c3ccccc3)C(=O)c3ccccc32)cc1 ZINC000103866978 571368055 /nfs/dbraw/zinc/36/80/55/571368055.db2.gz WDBJRCLNRQPSBH-PJJLUWSFSA-N 0 0 533.605 5.678 50 30 KKEARN COc1ccc(C(=O)/C=C\C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@H]2c2ccccc2C)cc1OC ZINC000103872253 571368219 /nfs/dbraw/zinc/36/82/19/571368219.db2.gz FPAASFJJJJZWAD-ALNMSFLZSA-N 0 0 548.635 7.404 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2/c3cc([N+](=O)[O-])cc(C(=O)OC)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000103876070 571368342 /nfs/dbraw/zinc/36/83/42/571368342.db2.gz AIJQHOMIZLPHJW-UCQKPKSFSA-N 0 0 575.574 7.506 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1/S/C(=C2/Sc3ccccc3N2C)C(=O)N1CCCC ZINC000103879779 571368550 /nfs/dbraw/zinc/36/85/50/571368550.db2.gz VNAINFBKCSMRDE-FFHBNZAXSA-N 0 0 571.941 10.391 50 30 KKEARN COc1c(I)cc(I)cc1/C=C1/Sc2ccccc2C1=O ZINC000103903940 571369118 /nfs/dbraw/zinc/36/91/18/571369118.db2.gz NJFIIKJWFOIIAP-VGOFMYFVSA-N 0 0 520.129 5.234 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000104045697 571371685 /nfs/dbraw/zinc/37/16/85/571371685.db2.gz RBGDKXFABALINA-IBHPWDLASA-N 0 0 559.021 5.871 50 30 KKEARN C[C@@]1(/C=N/OC(=O)Nc2ccc(Cl)c(Cl)c2)CS/C(=N\OC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000104054070 571371884 /nfs/dbraw/zinc/37/18/84/571371884.db2.gz GAKXVXUYTVYEER-QGPYFPIBSA-N 0 0 568.291 7.593 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104070642 571372159 /nfs/dbraw/zinc/37/21/59/571372159.db2.gz VMXUCXYWQZSTAT-ONQGDUAMSA-N 0 0 516.594 5.151 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000104186016 571376307 /nfs/dbraw/zinc/37/63/07/571376307.db2.gz CSVWILWTZFDXAZ-AYWGPLOBSA-N 0 0 516.432 5.251 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104187304 571376339 /nfs/dbraw/zinc/37/63/39/571376339.db2.gz ZMQBBGVVYWZUCE-ZHHPLPSFSA-N 0 0 506.426 5.795 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@@H]1C=C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000105065841 571390973 /nfs/dbraw/zinc/39/09/73/571390973.db2.gz YQTLBSZMODXCQN-DQNAHFDYSA-N 0 0 523.832 6.148 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c1 ZINC000105106152 571391653 /nfs/dbraw/zinc/39/16/53/571391653.db2.gz IRYSAPZKDFWDTM-RDGATRHJSA-N 0 0 588.513 5.766 50 30 KKEARN N#Cc1ccc(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 ZINC000105593378 571407835 /nfs/dbraw/zinc/40/78/35/571407835.db2.gz CGPSOWDXSNDFBR-JVBWRSBESA-N 0 0 522.397 8.847 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccc6ccccc56)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877460 571409175 /nfs/dbraw/zinc/40/91/75/571409175.db2.gz UNJNXOBPRSHCNU-ZYYGLDTISA-N 0 0 578.881 10.293 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)S/C1=N\c1ccc(OC)cc1 ZINC000105959102 571409461 /nfs/dbraw/zinc/40/94/61/571409461.db2.gz YCQDOJRFIDXKOF-RYJLTYISSA-N 0 0 541.442 6.800 50 30 KKEARN CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000105965665 571409567 /nfs/dbraw/zinc/40/95/67/571409567.db2.gz JTCQDSMEMPSDFO-BIZUNTBRSA-N 0 0 564.005 7.064 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCc1ccccc1 ZINC000105981420 571409834 /nfs/dbraw/zinc/40/98/34/571409834.db2.gz BRQRUZWDYWMFOT-WGARJPEWSA-N 0 0 558.612 5.406 50 30 KKEARN CC(C)(C)c1cc(Cl)c(O)c(/C=N\[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000108434774 571423560 /nfs/dbraw/zinc/42/35/60/571423560.db2.gz DBYQQOUSHXHMFK-XSBLGQSASA-N 0 0 503.514 7.849 50 30 KKEARN Cc1c(/C=C2\C[C@]3(C)[C@H]4CC[C@H]5[C@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)cnn1C ZINC000108509047 571425998 /nfs/dbraw/zinc/42/59/98/571425998.db2.gz ZZKYIWDKKVRQON-SVHYISTASA-N 0 0 546.840 8.181 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1Cl ZINC000108868305 571426935 /nfs/dbraw/zinc/42/69/35/571426935.db2.gz YAVPLOCHSZBLFH-IUKKYPGJSA-N 0 0 553.508 5.472 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc(-c5ccccc5)cc(C(F)(F)F)c4c3N)cc2)cc1 ZINC000113481504 571439069 /nfs/dbraw/zinc/43/90/69/571439069.db2.gz QVQLXABGNSXQRW-LICLKQGHSA-N 0 0 585.651 8.836 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4c(F)cccc4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560269 571439894 /nfs/dbraw/zinc/43/98/94/571439894.db2.gz CYIWGGLGAGVKPH-NFPSEPLVSA-N 0 0 572.021 5.397 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4c(Cl)cccc4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113562515 571440365 /nfs/dbraw/zinc/44/03/65/571440365.db2.gz QEMASMXQRHXXLC-LTDXDOBXSA-N 0 0 588.476 5.912 50 30 KKEARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113562103 571440403 /nfs/dbraw/zinc/44/04/03/571440403.db2.gz RXUJARDEEZQLOW-DHZHZOJOSA-N 0 0 525.611 6.484 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000113562183 571440420 /nfs/dbraw/zinc/44/04/20/571440420.db2.gz ZJIRRWDAJMKTQN-YSOOZTACSA-N 0 0 522.692 5.219 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113564602 571440840 /nfs/dbraw/zinc/44/08/40/571440840.db2.gz BEDCICBVUQTBHE-SDFCAVLBSA-N 0 0 620.199 9.326 50 30 KKEARN C[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC/C(=N\N=C5/CC[C@@H]6[C@H]7CCC8=CC(=O)C[C@H](C)[C@]8(C)[C@H]7CC[C@@]56C)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118915879 571443978 /nfs/dbraw/zinc/44/39/78/571443978.db2.gz SUDAZYBPONYEQT-MMVPTPEBSA-N 0 0 596.900 9.339 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4c3Cl)sc2C1 ZINC000137016941 571449877 /nfs/dbraw/zinc/44/98/77/571449877.db2.gz HTJCZWFXEWODDU-OAHLLOKOSA-N 0 0 558.029 7.405 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000150339558 571457493 /nfs/dbraw/zinc/45/74/93/571457493.db2.gz PFHKMSDXCFSBJS-MEKGRNQZSA-N 0 0 658.832 7.405 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150340133 571457762 /nfs/dbraw/zinc/45/77/62/571457762.db2.gz XCSZRHBSQLYKOK-SHUUEZRQSA-N 0 0 842.136 8.707 50 30 KKEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340825 571457955 /nfs/dbraw/zinc/45/79/55/571457955.db2.gz HFKIAPZSCAKSNP-UHFFFAOYSA-N 0 0 828.147 9.616 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)C3C(C)C)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)C2C(C)C ZINC000150341889 571458300 /nfs/dbraw/zinc/45/83/00/571458300.db2.gz UWOSPUSBILRKLD-LZUTUTKMSA-N 0 0 826.950 6.598 50 30 biogenic,in-vitro KKEARN O=C(/C=C/C(=O)OCCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150342569 571458767 /nfs/dbraw/zinc/45/87/67/571458767.db2.gz TYMGDYKDZSSLJM-ONEGZZNKSA-N 0 0 956.540 11.133 50 30 KKEARN COc1ccc(C(O[C@H]2C[C@H](n3cnc4c3nc[nH]c4=O)O[C@@H]2CO[P@@](=O)(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150344946 571459622 /nfs/dbraw/zinc/45/96/22/571459622.db2.gz NWEBHSTVAZOVAY-ASZHFMAFSA-N 0 0 770.824 7.388 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150345671 571459980 /nfs/dbraw/zinc/45/99/80/571459980.db2.gz YMUQKGRTDLOOSX-AUVKWULOSA-N 0 0 726.636 9.235 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNNCc1ccccc1)C(=O)C(=O)C3C(C)C)C(=CNNCc1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150345920 571460155 /nfs/dbraw/zinc/46/01/55/571460155.db2.gz KLMNRCMSWIASNP-RYJWMXFHSA-N 0 0 726.874 7.668 50 30 biogenic KKEARN O=C(/C=C/c1ccc(Br)cc1)Oc1ccccc1/C=N/c1ccc(/N=C\c2ccccc2OC(=O)/C=C/c2ccc(Br)cc2)cc1 ZINC000150348457 571461086 /nfs/dbraw/zinc/46/10/86/571461086.db2.gz LOENNKYXFGSKEL-FBPNSBBVSA-N 0 0 734.444 9.950 50 30 KKEARN CC(=O)Oc1c(Br)cc(/C=N/c2ccc(/N=C/c3cc(Br)c(OC(C)=O)c(Br)c3)cc2)cc1Br ZINC000150348863 571461198 /nfs/dbraw/zinc/46/11/98/571461198.db2.gz FDRRRADEOFUEPW-UYKANAEJSA-N 0 0 716.018 8.088 50 30 KKEARN COc1ccc(/C=N\c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc(/N=C\c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1 ZINC000150349552 571461549 /nfs/dbraw/zinc/46/15/49/571461549.db2.gz FUTLJALKZJMLKR-QSFOISPVSA-N 0 0 646.787 11.116 50 30 KKEARN COc1ccc(C(Cl)(c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(OC)cc2)cc1 ZINC000150352310 571462427 /nfs/dbraw/zinc/46/24/27/571462427.db2.gz BYTTZNJBGFBIDO-UHFFFAOYSA-N 0 0 784.934 11.177 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(Oc3ccc(/N=C/c4c(O)c(OC)cc(Br)c4Br)cc3)cc2)c1O ZINC000150352503 571462498 /nfs/dbraw/zinc/46/24/98/571462498.db2.gz KEJQZSVRIBKZLX-AWNSZPOUSA-N 0 0 784.093 9.459 50 30 KKEARN COc1c(I)cc(I)cc1/C=C1\S/C(=N\c2c(C)cccc2C)N(c2ccccc2)C1=O ZINC000150356464 571463258 /nfs/dbraw/zinc/46/32/58/571463258.db2.gz YKHRKHHEWFWYSX-HPWCONDSSA-N 0 0 666.322 7.330 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s4)s3)s2)s1 ZINC000150367393 571465047 /nfs/dbraw/zinc/46/50/47/571465047.db2.gz UBMTYFFPSPVBSP-UHFFFAOYSA-N 0 0 966.588 15.324 50 30 KKEARN Fc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3)c3c(F)c(F)c(F)c(F)c3c(-c3ccc(C(F)(F)F)cc3)c2c1F ZINC000150368774 571465528 /nfs/dbraw/zinc/46/55/28/571465528.db2.gz FFUQDRYCGMPMRR-UHFFFAOYSA-N 0 0 610.344 10.477 50 30 KKEARN N#Cc1c(S[C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000150369892 571465684 /nfs/dbraw/zinc/46/56/84/571465684.db2.gz JUDWGFOXGOUTPJ-HNRBIFIRSA-N 0 0 840.834 8.563 50 30 KKEARN O=C(COc1ccc(Br)cc1)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000150369891 571465691 /nfs/dbraw/zinc/46/56/91/571465691.db2.gz NJOICFIGSAOPHX-UHFFFAOYSA-N 0 0 656.189 7.525 50 30 KKEARN C=C(C)COc1c(I)cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cc1I ZINC000150373199 571466117 /nfs/dbraw/zinc/46/61/17/571466117.db2.gz QNMVVHFHHGRAEJ-SRZZPIQSSA-N 0 0 621.212 6.348 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)c(Cl)c2)S1 ZINC000150376415 571466549 /nfs/dbraw/zinc/46/65/49/571466549.db2.gz BUMSYPCOPHRBAH-ILQJQUMCSA-N 0 0 619.304 7.975 50 30 KKEARN C=CCO[C@H]1[C@H](n2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H]1O ZINC000150388087 571470633 /nfs/dbraw/zinc/47/06/33/571470633.db2.gz BKVVBCGLSZCQGE-VGYQUGCUSA-N 0 0 775.899 6.414 50 30 KKEARN C=CCO[C@@H]1[C@H](n2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2=O)O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H]1O ZINC000150388091 571470657 /nfs/dbraw/zinc/47/06/57/571470657.db2.gz BKVVBCGLSZCQGE-BJCORNMFSA-N 0 0 775.899 6.414 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)c1 ZINC000150390831 571473054 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O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000150396693 571476730 /nfs/dbraw/zinc/47/67/30/571476730.db2.gz PFKRGFYMBHZTHC-HUPIBNRYSA-N 0 0 674.848 10.694 50 30 KKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000150396689 571476746 /nfs/dbraw/zinc/47/67/46/571476746.db2.gz PFKRGFYMBHZTHC-CAAPQZCDSA-N 0 0 674.848 10.694 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000150412010 571484279 /nfs/dbraw/zinc/48/42/79/571484279.db2.gz CCBKMXCQQCVUNM-FQEVSTJZSA-N 0 0 892.359 12.979 50 30 KKEARN COc1ccccc1-c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc2)o1 ZINC000150426184 571490601 /nfs/dbraw/zinc/49/06/01/571490601.db2.gz USTZHETUOQGYQQ-PVSQDUJMSA-N 0 0 716.885 8.542 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C\c3cc(I)c(OC(C)=O)c(OC)c3)C2=O)cc(I)c1OC(C)=O ZINC000150426549 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C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460278 571505910 /nfs/dbraw/zinc/50/59/10/571505910.db2.gz JIBTYEHTTBGWEJ-VXJPNWOUSA-N 0 0 646.762 6.568 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462856 571506735 /nfs/dbraw/zinc/50/67/35/571506735.db2.gz GDOOMUPVZBWQEQ-VDKPZLLLSA-N 0 0 634.710 6.842 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2c1-c1c(cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000150463706 571507580 /nfs/dbraw/zinc/50/75/80/571507580.db2.gz BPUNDOJIACTJCX-UHFFFAOYSA-N 0 0 880.435 7.421 50 30 KKEARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c3oc(-c4ccco4)c(-c4ccco4)c3C#N)cc12 ZINC000150465945 571507952 /nfs/dbraw/zinc/50/79/52/571507952.db2.gz LPYJHRQSOVZVSD-UHFFFAOYSA-N 0 0 720.792 9.576 50 30 KKEARN 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CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509474 571519710 /nfs/dbraw/zinc/51/97/10/571519710.db2.gz XHSQOFXPJDAERL-JPZYQRIQSA-N 0 0 648.550 6.676 50 30 KKEARN CCCCCCCc1ccc(-c2cn(/N=C/c3ccccc3)c(/N=N/c3nc(-c4ccc(CCCCCCC)cc4)cn3/N=C/c3ccccc3)n2)cc1 ZINC000150511492 571520020 /nfs/dbraw/zinc/52/00/20/571520020.db2.gz ZQJQBIHSIKYKPJ-LFHUWBNYSA-N 0 0 716.978 12.619 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000150526538 571520473 /nfs/dbraw/zinc/52/04/73/571520473.db2.gz BZZHDGFVJWWOQD-UHFFFAOYSA-N 0 0 672.275 7.375 50 30 KKEARN Cn1c(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc2ccccc21 ZINC000150553347 571520955 /nfs/dbraw/zinc/52/09/55/571520955.db2.gz HXRUUQLDAKKLKH-JQWIXIFHSA-N 0 0 625.235 6.384 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(I)c(OCC)c(OC)c2)C1=O ZINC000150596568 571522333 /nfs/dbraw/zinc/52/23/33/571522333.db2.gz JWWZCMFQBDLZON-RCCKNPSSSA-N 0 0 635.520 5.858 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(NC(=O)c3ccc(C(C)(C)C)cc3)=C(C(=O)OCC)C2=O)cc1Br ZINC000150605864 571522630 /nfs/dbraw/zinc/52/26/30/571522630.db2.gz XIVWRBZLXBZUMG-RCCKNPSSSA-N 0 0 649.401 6.935 50 30 KKEARN C(C#CC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)#CC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000150614563 571523159 /nfs/dbraw/zinc/52/31/59/571523159.db2.gz XTWYXWIKPNUKLV-UHFFFAOYSA-N 0 0 686.898 12.396 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000150663304 571528025 /nfs/dbraw/zinc/52/80/25/571528025.db2.gz QSTAMEPSOLLUIP-BUUDZMLXSA-N 0 0 629.537 6.721 50 30 KKEARN COc1c(I)cc(I)cc1C=NN=c1nc2[nH]onc-2nc1Nc1ccc(Br)cc1 ZINC000150663742 571528323 /nfs/dbraw/zinc/52/83/23/571528323.db2.gz KPMNMWSTZRNKOI-GZIVZEMBSA-N 0 0 692.053 5.183 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000157433758 571529660 /nfs/dbraw/zinc/52/96/60/571529660.db2.gz XCTRDSDCLNGCQB-LWUPDDLQSA-N 0 0 734.422 6.154 50 30 KKEARN O=C1/C(=N\c2ccc(/N=C3/c4ccccc4N(CN4CCC(Cc5ccccc5)CC4)C3=O)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000162756765 571532576 /nfs/dbraw/zinc/53/25/76/571532576.db2.gz HUSFJQYBXFNJLZ-FXVBOROLSA-N 0 0 740.952 8.446 50 30 KKEARN F[C@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164730355 571550852 /nfs/dbraw/zinc/55/08/52/571550852.db2.gz MEXQRXXROOSHGK-XPTRBJTASA-N 0 0 950.120 11.001 50 30 KKEARN COC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164989771 571552203 /nfs/dbraw/zinc/55/22/03/571552203.db2.gz POFXNOHVAKKASZ-FUTKDDECSA-N 0 0 676.116 6.870 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000169616350 571553665 /nfs/dbraw/zinc/55/36/65/571553665.db2.gz FYZMIIHJJJHJSJ-MZKUHISZSA-N 0 0 527.365 5.701 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000169617764 571553877 /nfs/dbraw/zinc/55/38/77/571553877.db2.gz BYFAUIUQQWPRQU-QXEZREHESA-N 0 0 628.560 6.577 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000169617777 571553910 /nfs/dbraw/zinc/55/39/10/571553910.db2.gz XXJFTXQYOOHVJZ-LGNVEDGCSA-N 0 0 614.533 6.187 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000169620009 571554262 /nfs/dbraw/zinc/55/42/62/571554262.db2.gz AYBWPKYDULKECL-WYNJOCFVSA-N 0 0 580.622 7.867 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169620616 571554279 /nfs/dbraw/zinc/55/42/79/571554279.db2.gz FKXFAIVAZFLUCC-SUHSUELASA-N 0 0 560.691 5.255 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@@H](C(=O)OCC)c3cc(OC)ccc3OC)C2)cc1 ZINC000169679198 571556374 /nfs/dbraw/zinc/55/63/74/571556374.db2.gz ABFAPNWMYHYEOV-CTVOUCONSA-N 0 0 523.670 6.074 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000169682896 571557917 /nfs/dbraw/zinc/55/79/17/571557917.db2.gz YHHURTGNBUXTMH-GZROVSQRSA-N 0 0 551.683 6.978 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Br)cc3)N4)sc2C1 ZINC000169683096 571558020 /nfs/dbraw/zinc/55/80/20/571558020.db2.gz OZWWIMMXYQWFBR-QOEFQVSFSA-N 0 0 606.512 7.642 50 30 KKEARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000170620712 571562673 /nfs/dbraw/zinc/56/26/73/571562673.db2.gz RVQGPYWMGTXOPQ-WXFUMESZSA-N 0 0 504.011 5.512 50 30 KKEARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000198685686 571568040 /nfs/dbraw/zinc/56/80/40/571568040.db2.gz NVEDMRLUKBEWQD-DNQXCXABSA-N 0 0 740.736 9.902 50 30 KKEARN CCCCCCCCCCCCn1c(N=NC(C)c2ccc(Br)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000198695229 571568268 /nfs/dbraw/zinc/56/82/68/571568268.db2.gz GNSYEUUKBAPUCA-FSGOGVSDSA-N 0 0 545.526 5.943 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)-c1ccccc1C2)[C@H](O)c1ccccc1 ZINC000198689968 571568374 /nfs/dbraw/zinc/56/83/74/571568374.db2.gz ZFINKWNLKNPMLT-VSJLXWSYSA-N 0 0 605.841 7.883 50 30 KKEARN N=C1O[C@H](c2ccco2)C(=N\N(c2ccccc2)c2ccccc2)/C1=N/N(c1ccccc1)c1ccccc1 ZINC000198719937 571568638 /nfs/dbraw/zinc/56/86/38/571568638.db2.gz FWNBMUCFILRHFE-AUTSTHCGSA-N 0 0 511.585 7.717 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@H](Sc3nc(C4CC4)cc(-c4ccc(Cl)cc4)c3C#N)C2=O)cc1 ZINC000215675598 571584716 /nfs/dbraw/zinc/58/47/16/571584716.db2.gz RLVCCSWWZBWXNL-QHCPKHFHSA-N 0 0 517.994 5.362 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000215710756 571585018 /nfs/dbraw/zinc/58/50/18/571585018.db2.gz KDCJDKIUAAQBMT-UHFFFAOYSA-N 0 0 550.562 6.449 50 30 KKEARN C[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000215718233 571585173 /nfs/dbraw/zinc/58/51/73/571585173.db2.gz BMBCEDNNBUUPAE-QVUMDZJSSA-N 0 0 547.920 8.035 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3cccc(/N=C/c4cccnc4Cl)c3)sc2C1 ZINC000215724005 571585346 /nfs/dbraw/zinc/58/53/46/571585346.db2.gz HNZWDQYCHKQUTC-UHRFHUGISA-N 0 0 523.127 7.301 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C#N)cc1 ZINC000215737296 571585621 /nfs/dbraw/zinc/58/56/21/571585621.db2.gz SFNWWULGZNYDAX-UHFFFAOYSA-N 0 0 553.993 7.879 50 30 KKEARN CC(C)c1ccc(-c2c3c(N)c(C(=O)Nc4ccc(OC(F)(F)F)cc4)sc3nc(N)c2C#N)cc1 ZINC000215735807 571585633 /nfs/dbraw/zinc/58/56/33/571585633.db2.gz KTXHKNBHXGXLAW-UHFFFAOYSA-N 0 0 511.529 6.274 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)cc2)C4=O)cc1 ZINC000217596707 571601797 /nfs/dbraw/zinc/60/17/97/571601797.db2.gz LAPCPOIGNFZSLB-UTDXIZSJSA-N 0 0 526.629 7.492 50 30 biogenic KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000217604028 571601815 /nfs/dbraw/zinc/60/18/15/571601815.db2.gz AVSMAZUAQICSRL-NIJXNBFTSA-N 0 0 536.694 5.308 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000217601539 571601839 /nfs/dbraw/zinc/60/18/39/571601839.db2.gz XXBRCQBGNVBHRO-NPFVIJTESA-N 0 0 562.515 6.549 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000217660579 571602282 /nfs/dbraw/zinc/60/22/82/571602282.db2.gz ISIAAVCDCSSISB-DIBPYXDISA-N 0 0 597.636 5.763 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000217660444 571602396 /nfs/dbraw/zinc/60/23/96/571602396.db2.gz ISIAAVCDCSSISB-BCRFLOQVSA-N 0 0 597.636 5.763 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1/Oc2c(ccc3c2[C@H](c2ccc(C(C)C)cc2)CC(=O)O3)C1=O ZINC000217955894 571602829 /nfs/dbraw/zinc/60/28/29/571602829.db2.gz BNCSSELONJJLDH-ZUICHYAESA-N 0 0 500.547 5.893 50 30 KKEARN COc1cccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)c1OCCc1ccccc1 ZINC000217969247 571602839 /nfs/dbraw/zinc/60/28/39/571602839.db2.gz RXPKXAUDYMWOLU-KPISKDHLSA-N 0 0 519.553 5.769 50 30 biogenic KKEARN COc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(Br)c1O ZINC000222389360 571605614 /nfs/dbraw/zinc/60/56/14/571605614.db2.gz GCONIFSZUBVXGN-ADLZZSLISA-N 0 0 586.454 5.386 50 30 KKEARN CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000032822211 571744746 /nfs/dbraw/zinc/74/47/46/571744746.db2.gz UATOAILWGVYRQS-HHHXNRCGSA-O 0 0 552.754 6.772 50 30 endogenous,in-man KKEARN C[C@]12CC[C@@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000261490471 572109173 /nfs/dbraw/zinc/10/91/73/572109173.db2.gz ARBKTKAUJNRJQD-ACTKWLKRSA-N 0 0 572.878 8.431 50 30 KKEARN COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000261491473 572110165 /nfs/dbraw/zinc/11/01/65/572110165.db2.gz AQEZRMHGHHCFOV-UHFFFAOYSA-N 0 0 535.662 5.896 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@H]([C@H](C[C@@H]2C(=C)CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]23C)C2=CCOC2=O)OC1=O ZINC000261492348 572110481 /nfs/dbraw/zinc/11/04/81/572110481.db2.gz WQHWOZANSOUSAY-PNFRWIEVSA-N 0 0 664.880 5.368 50 30 in-vitro KKEARN O=c1c2cc(F)c(F)cc2nc(-c2ccc(C(F)(F)F)cc2)n1Cc1ncc(C(F)(F)F)cc1Cl ZINC000261495029 572112708 /nfs/dbraw/zinc/11/27/08/572112708.db2.gz QPIHMIHKIUWZAW-UHFFFAOYSA-N 0 0 519.779 6.476 50 30 KKEARN COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3ccc4c(c31)O/C(=C\c1cccnc1)C4=O)c(=O)n2CC(C)C ZINC000263584860 572115276 /nfs/dbraw/zinc/11/52/76/572115276.db2.gz BPYJYHXKGILTJK-VTLZRYSDSA-N 0 0 522.557 5.118 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(C(C)C)cc2)CC(=O)O3)C1=O ZINC000263584840 572115538 /nfs/dbraw/zinc/11/55/38/572115538.db2.gz BNCSSELONJJLDH-VHLXNKDGSA-N 0 0 500.547 5.893 50 30 KKEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585824 572120371 /nfs/dbraw/zinc/12/03/71/572120371.db2.gz MYNZXBBWUWLTFL-HXUWFJFHSA-N 0 0 514.530 5.579 50 30 KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cn(C)c3ccc(OC)cc23)C4=O)cc1 ZINC000263585808 572120617 /nfs/dbraw/zinc/12/06/17/572120617.db2.gz MVXTYIHDSBYCAV-HWKLWZPUSA-N 0 0 601.655 6.874 50 30 KKEARN COc1ccc2cc([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3c(F)cccc3Cl)C5=O)c(=O)[nH]c2c1 ZINC000263585878 572120623 /nfs/dbraw/zinc/12/06/23/572120623.db2.gz NNBKHXOLFJLVRV-XYIDMMFISA-N 0 0 517.896 5.799 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@H](c3cc5cc(OC)ccc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586682 572124579 /nfs/dbraw/zinc/12/45/79/572124579.db2.gz WXOQCMVGFNDJMF-GPBZHFFBSA-N 0 0 548.551 5.507 50 30 KKEARN COc1ccc(C=C2Oc3c(ccc4c3[C@@H](c3cc5ccccc5[nH]c3=O)CC(=O)O4)C2=O)c(OC)c1OC ZINC000263586859 572125392 /nfs/dbraw/zinc/12/53/92/572125392.db2.gz YYEAZTNQKQJBNS-VLZFXTDASA-N 0 0 525.513 5.023 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)cc1 ZINC000263586920 572125774 /nfs/dbraw/zinc/12/57/74/572125774.db2.gz ZQDPWUVKHBNHJO-JDLXPMTISA-N 0 0 526.629 7.492 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c1)N(C)CC3)OCO2 ZINC000263587292 572125778 /nfs/dbraw/zinc/12/57/78/572125778.db2.gz FGSPPHGKMCBLOY-UHFFFAOYSA-N 0 0 619.390 6.049 50 30 KKEARN CC1=CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000226073773 572127109 /nfs/dbraw/zinc/12/71/09/572127109.db2.gz XUALLDIAIIKNEC-YTTGMZPUSA-N 0 0 528.700 7.897 50 30 KKEARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000226073818 572127134 /nfs/dbraw/zinc/12/71/34/572127134.db2.gz FISZGMLXLXEGJB-APYJYERMSA-N 0 0 530.716 7.987 50 30 KKEARN C=C(Cl)CSc1nnc(CNC(=O)C2(c3ccc(OC)cc3)CCCC2)n1-c1ccc(OC)cc1 ZINC000299771219 572135470 /nfs/dbraw/zinc/13/54/70/572135470.db2.gz UMEAHVKFDROREI-UHFFFAOYSA-N 0 0 513.063 5.257 50 30 KKEARN C=C(Cl)CSc1nnc(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)n1-c1ccc(OC)cc1 ZINC000299768285 572135565 /nfs/dbraw/zinc/13/55/65/572135565.db2.gz SRDAQMJFWAQMIC-UHFFFAOYSA-N 0 0 509.006 5.857 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C(=O)c4ccco4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000299804368 572138543 /nfs/dbraw/zinc/13/85/43/572138543.db2.gz XVAWGFCFDLSSRP-HHHXNRCGSA-N 0 0 538.556 5.091 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000226932772 572145832 /nfs/dbraw/zinc/14/58/32/572145832.db2.gz UGAKWIOOXYVLFF-RSYZFUPGSA-N 0 0 542.513 5.083 50 30 KKEARN CCCCCCCCN=C1N=C2C(C)=CC=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158437 572153424 /nfs/dbraw/zinc/15/34/24/572153424.db2.gz NYZVFFUYCRZXLJ-APOSWSHSSA-N 0 0 548.756 5.201 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Nc2ccc(N=Cc3ccccc3O)cc2)cc1Nc1ccccc1 ZINC000334158576 572153555 /nfs/dbraw/zinc/15/35/55/572153555.db2.gz VRWVHBVLPTYPJO-UHFFFAOYSA-N 0 0 656.536 7.106 50 30 KKEARN O=C1c2ccccc2C2(c3ccc(O)cc3Oc3cc(O)ccc32)N1/N=C/c1c(=O)oc2ccccc2c1Cl ZINC000334160992 572154364 /nfs/dbraw/zinc/15/43/64/572154364.db2.gz QJQVMYTXMIOUPX-VWJSQJICSA-N 0 0 536.927 5.745 50 30 KKEARN N#Cc1ccc(N[C@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@H]2Nc2ccc(C#N)cc2)cc1 ZINC000334163419 572154923 /nfs/dbraw/zinc/15/49/23/572154923.db2.gz RGXFUJGDJISXJQ-RNPORBBMSA-N 0 0 524.584 5.263 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229612660 572156471 /nfs/dbraw/zinc/15/64/71/572156471.db2.gz ZTORIHGFDGOHMY-XMFJDCMESA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229620584 572157165 /nfs/dbraw/zinc/15/71/65/572157165.db2.gz AWQGCAORDVFYKY-XMFJDCMESA-N 0 0 552.630 6.233 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OCC#N)cc3)[C@@]3(c4ccccc4NC3=O)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000229641456 572158110 /nfs/dbraw/zinc/15/81/10/572158110.db2.gz KADKFKIVIXTPDQ-CPONHVLOSA-N 0 0 581.628 5.579 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2(c3cc(Cl)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000229638274 572158544 /nfs/dbraw/zinc/15/85/44/572158544.db2.gz RURKFXVOKVQKIX-XGRPBWIBSA-N 0 0 554.046 5.228 50 30 KKEARN O=C(C1=C2C(O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000229930867 572170917 /nfs/dbraw/zinc/17/09/17/572170917.db2.gz DJLAWDXPGNLXQI-ZJSPYRCASA-N 0 0 576.958 5.737 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000229934286 572171125 /nfs/dbraw/zinc/17/11/25/572171125.db2.gz JKLLWSGFDNBPBK-ICTSCBFQSA-N 0 0 585.653 5.581 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000229944717 572172574 /nfs/dbraw/zinc/17/25/74/572172574.db2.gz RLWFXSKFFBTRMC-BXZDMCNWSA-N 0 0 558.494 5.603 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1OC ZINC000229982317 572176732 /nfs/dbraw/zinc/17/67/32/572176732.db2.gz MPQANXLESBBKME-KNIAECHLSA-N 0 0 561.726 7.061 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1F ZINC000230027340 572180178 /nfs/dbraw/zinc/18/01/78/572180178.db2.gz JSLFCUFWBINBPF-XDAJTCOGSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000230033885 572180689 /nfs/dbraw/zinc/18/06/89/572180689.db2.gz INORCXNPXLUGOT-LIKDZFNVSA-N 0 0 619.671 5.631 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000230077077 572182712 /nfs/dbraw/zinc/18/27/12/572182712.db2.gz RLUWEDUUYKGLSD-QPCYKJICSA-N 0 0 543.701 6.219 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3c4ccccc4ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000230207483 572185334 /nfs/dbraw/zinc/18/53/34/572185334.db2.gz DXOIRIYWPYLOSL-NHKHRBQYSA-N 0 0 530.425 6.887 50 30 KKEARN C=CCOc1ccc([C@]2(O)NC(=S)N[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)[C@]2(O)C(F)(F)F)cc1 ZINC000238899405 572188889 /nfs/dbraw/zinc/18/88/89/572188889.db2.gz GHXXSKXJBNWWDS-MDNUFGMLSA-N 0 0 559.393 5.476 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4C#N)cc3)c(=O)n21 ZINC000239025322 572189972 /nfs/dbraw/zinc/18/99/72/572189972.db2.gz BKDWOIGKOFLPTE-XIFFEERXSA-N 0 0 585.685 5.437 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000239121061 572190792 /nfs/dbraw/zinc/19/07/92/572190792.db2.gz JFINWHAGRNLNSQ-FZBPCLLLSA-N 0 0 554.481 6.170 50 30 KKEARN C=CCOC(=O)c1cc(Cl)ccc1-c1ccc(C=N/N=C2\C(=O)Nc3ccc(Br)cc32)o1 ZINC000239235519 572192183 /nfs/dbraw/zinc/19/21/83/572192183.db2.gz WCNSDRVJXWDRKS-UHFFFAOYSA-N 0 0 512.747 5.481 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000245189288 572201282 /nfs/dbraw/zinc/20/12/82/572201282.db2.gz MEXQRXXROOSHGK-GGMAICISSA-N 0 0 950.120 11.001 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)C[C@](O)(c2cccc3ccccc32)[C@@H](C(=O)c2cccc3ccccc32)[C@H]1c1ccc(C)cc1 ZINC000245228838 572205736 /nfs/dbraw/zinc/20/57/36/572205736.db2.gz GRTPIHHHRMATFQ-WPDHONDESA-N 0 0 657.810 9.341 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000245228819 572205778 /nfs/dbraw/zinc/20/57/78/572205778.db2.gz GBJXNJYFFXVPQP-ZQBSIFDSSA-N 0 0 658.578 7.742 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(OC)c2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(OC)c1 ZINC000245228886 572205780 /nfs/dbraw/zinc/20/57/80/572205780.db2.gz IEWBOEQRYQJVCO-ZQBSIFDSSA-N 0 0 658.578 7.742 50 30 KKEARN CCCCCCCCCC[C@H](O)[C@@H]1CC=C2C(=O)N(c3ccccc3)C(=O)[C@H]2N1Nc1ccc([N+](=O)[O-])cc1 ZINC000245240068 572213563 /nfs/dbraw/zinc/21/35/63/572213563.db2.gz KVHGJAKTBPFFNV-UNFRKHOWSA-N 0 0 534.657 5.612 50 30 in-vitro KKEARN COc1ccc(/C=N/N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000245391963 572240433 /nfs/dbraw/zinc/24/04/33/572240433.db2.gz RWXMFOWPOPHVEY-WGANVRAYSA-N 0 0 553.644 5.140 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1ccc(Br)cc1 ZINC000247822133 572245654 /nfs/dbraw/zinc/24/56/54/572245654.db2.gz ILUSSOSGMGCMHT-MNOOPVFESA-N 0 0 773.521 9.859 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC[C@@H]2[C@@H]3C=C[C@@H]4[C@@H]3[C@@H]3[C@H](C=C[C@@H]23)[C@H]4CCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000248019350 572252336 /nfs/dbraw/zinc/25/23/36/572252336.db2.gz LVQGKIBIYWIVRS-VXTUSRLFSA-N 0 0 554.730 5.291 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248085652 572253282 /nfs/dbraw/zinc/25/32/82/572253282.db2.gz WNSNAVRIAZQGCH-LCQQBMRFSA-N 0 0 512.009 5.340 50 30 KKEARN COc1ccc(-c2cc(-c3cc4c(cc3OC)c(C(C)=O)c(C)n4-c3ccc(C)cc3)nc(C)c2C#N)cc1 ZINC000248095018 572253380 /nfs/dbraw/zinc/25/33/80/572253380.db2.gz HXNLJRKEXYMHNY-UHFFFAOYSA-N 0 0 515.613 7.376 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H](OC(=O)Cc2ccccc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000248241437 572256915 /nfs/dbraw/zinc/25/69/15/572256915.db2.gz FFEGNNNGNHNNQF-QDALIAGFSA-N 0 0 647.806 5.500 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](CC)Oc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000248247937 572257082 /nfs/dbraw/zinc/25/70/82/572257082.db2.gz HTIKRWUNALZQMS-SYZFSDGSSA-N 0 0 564.920 10.802 50 30 KKEARN C=C1CC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@H]12 ZINC000248257424 572257338 /nfs/dbraw/zinc/25/73/38/572257338.db2.gz LECFLFJCNVVCCI-HHLJPHRXSA-N 0 0 590.761 9.322 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2C)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1C ZINC000248289391 572257774 /nfs/dbraw/zinc/25/77/74/572257774.db2.gz JFLNVJYZFUGLFX-SKYMCVQSSA-N 0 0 626.580 8.341 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4cc(C)cc(Cl)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000248336753 572258319 /nfs/dbraw/zinc/25/83/19/572258319.db2.gz OWTNSYHQBBCHRP-MCZNPFQCSA-N 0 0 554.046 5.228 50 30 KKEARN CCCCCOc1ccc(/C=C2\C[C@H](C(C)(C)CC)C/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1 ZINC000249807083 572258852 /nfs/dbraw/zinc/25/88/52/572258852.db2.gz OYLKWRPOLXMHPH-DJUOPMCSSA-N 0 0 516.766 9.707 50 30 KKEARN COc1cc(/C=C2\C[C@H](c3ccccc3)C/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000250277281 572258905 /nfs/dbraw/zinc/25/89/05/572258905.db2.gz CZBGSGAJHIYAQX-UCCOTIJQSA-N 0 0 530.617 6.352 50 30 KKEARN C[C@@H]1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000252337685 572260126 /nfs/dbraw/zinc/26/01/26/572260126.db2.gz ASXHVOZQFIUVSQ-XTWVHWKJSA-N 0 0 500.638 8.311 50 30 KKEARN O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccc(I)cc1 ZINC000252426688 572260349 /nfs/dbraw/zinc/26/03/49/572260349.db2.gz KQJKKMNYRMKBKC-UHFFFAOYSA-N 0 0 611.277 7.353 50 30 KKEARN C[C@]1(O)CC(N=Nc2ccccc2)[C@H](C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OCc1ccccc1 ZINC000252431041 572260813 /nfs/dbraw/zinc/26/08/13/572260813.db2.gz ZLIAJLSHRXEVHA-YVCCBKOPSA-N 0 0 607.663 6.020 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000252441169 572260959 /nfs/dbraw/zinc/26/09/59/572260959.db2.gz ITPQXIUXRUUBNM-LGTXBLIGSA-N 0 0 612.436 5.044 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(C=Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)cc2Br)c([N+](=O)[O-])c1 ZINC000252589831 572266459 /nfs/dbraw/zinc/26/64/59/572266459.db2.gz ANRHNLPXXNHRBA-UHFFFAOYSA-N 0 0 577.322 7.756 50 30 KKEARN COc1ccc(CN=Nc2c(F)c(F)c(Br)c(F)c2F)cc1COc1ccc(Cl)cc1Cl ZINC000252588836 572266512 /nfs/dbraw/zinc/26/65/12/572266512.db2.gz AERQLCCXNHQXBB-UHFFFAOYSA-N 0 0 552.149 7.346 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000252589120 572266515 /nfs/dbraw/zinc/26/65/15/572266515.db2.gz AHAPBXKZKPLAFJ-ICYJYPBOSA-N 0 0 618.496 7.687 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3cc(Br)ccc3O)cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000252589687 572266529 /nfs/dbraw/zinc/26/65/29/572266529.db2.gz AMRDHJWXANXOCD-UHFFFAOYSA-N 0 0 543.424 6.154 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252589150 572266565 /nfs/dbraw/zinc/26/65/65/572266565.db2.gz AHLWMSDPRIBPEF-MRYWEKRUSA-N 0 0 558.704 5.445 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000252590861 572266605 /nfs/dbraw/zinc/26/66/05/572266605.db2.gz AWEQMPCMSWZUSR-UHFFFAOYSA-N 0 0 635.394 6.565 50 30 KKEARN CN(C)c1ccc(-c2cc(-c3ccc(N=Cc4ccc([N+](=O)[O-])cc4)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000252591192 572266607 /nfs/dbraw/zinc/26/66/07/572266607.db2.gz AYWBWCXHHUASHI-UHFFFAOYSA-N 0 0 522.608 8.447 50 30 KKEARN O=[N+]([O-])c1ccc(C=NN=C(C(=NN=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccccc2)cc1 ZINC000252591310 572266618 /nfs/dbraw/zinc/26/66/18/572266618.db2.gz AZBZUJRDGCKILS-UHFFFAOYSA-N 0 0 504.506 5.850 50 30 KKEARN Fc1ccc(C=Nc2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1Oc1ccccc1 ZINC000252595381 572266836 /nfs/dbraw/zinc/26/68/36/572266836.db2.gz CAOADUHWVXTZOV-UHFFFAOYSA-N 0 0 512.382 7.984 50 30 KKEARN Cc1ccc(NC(=N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(=N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)Nc2ccc(C)cc2)cc1 ZINC000252595008 572266943 /nfs/dbraw/zinc/26/69/43/572266943.db2.gz BXDOCGKLOGOSEV-NISABICKSA-N 0 0 542.856 9.164 50 30 KKEARN O=C(Cn1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCCC3)C2=O)c2ccccc21)NCc1ccco1 ZINC000252596739 572267047 /nfs/dbraw/zinc/26/70/47/572267047.db2.gz CMFKIRAQJSJADC-ADHUBKELSA-N 0 0 552.700 6.878 50 30 KKEARN Cn1c2ccccc2sc1=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252595850 572267057 /nfs/dbraw/zinc/26/70/57/572267057.db2.gz CEFSZIBYBDHHRC-UHFFFAOYSA-N 0 0 518.671 7.125 50 30 KKEARN COCCN1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)SC1=Nc1ccccc1 ZINC000252598447 572267108 /nfs/dbraw/zinc/26/71/08/572267108.db2.gz DAURPCBZQSQTMW-JIXASPRGSA-N 0 0 542.249 5.176 50 30 KKEARN COc1cc(Br)cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O ZINC000252598249 572267150 /nfs/dbraw/zinc/26/71/50/572267150.db2.gz CYYJZIAUPIVEAT-RXVMHUJQSA-N 0 0 509.425 6.589 50 30 KKEARN CC[C@H]1SC(=NN=Cc2c(OS(=O)(=O)c3cc(Br)ccc3Br)ccc3ccccc32)NC1=O ZINC000252598707 572267188 /nfs/dbraw/zinc/26/71/88/572267188.db2.gz DCICQSFBACSAGE-LJQANCHMSA-N 0 0 611.337 5.464 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O ZINC000252602927 572267509 /nfs/dbraw/zinc/26/75/09/572267509.db2.gz FMKMFQSKZHKJJS-HCKSNIQQSA-N 0 0 616.375 7.968 50 30 KKEARN Cc1ccc(N=C2S/C(=C/c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252603128 572267526 /nfs/dbraw/zinc/26/75/26/572267526.db2.gz FNWAUFKVVAQKCE-XQKCVHSKSA-N 0 0 507.409 6.603 50 30 KKEARN Cc1ccc(Nc2nc(N=NC(C)c3ccc(Br)cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000252603958 572267660 /nfs/dbraw/zinc/26/76/60/572267660.db2.gz FVOOAUKKZYUXCU-UHFFFAOYSA-N 0 0 561.282 5.121 50 30 KKEARN COc1ccc(C(=O)C(=CNCCCCCCNC=C(N=Nc2ccccc2)C(=O)c2ccc(OC)cc2)N=Nc2ccccc2)cc1 ZINC000252604632 572267697 /nfs/dbraw/zinc/26/76/97/572267697.db2.gz GBOABFGMWMIORS-YHGAEYPCSA-N 0 0 644.776 7.408 50 30 KKEARN O=c1[nH]c2ccc(N=Cc3cc(I)cc(I)c3OCc3ccccc3)cc2[nH]1 ZINC000252603909 572267700 /nfs/dbraw/zinc/26/77/00/572267700.db2.gz FUHIKRUWUTXLBW-UHFFFAOYSA-N 0 0 595.178 5.395 50 30 KKEARN Cc1c(N=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000252607370 572267896 /nfs/dbraw/zinc/26/78/96/572267896.db2.gz HBOWWFLQADPJPJ-UHFFFAOYSA-N 0 0 546.590 5.812 50 30 KKEARN CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=Nc1ccc(N(C)C)cc1 ZINC000252607354 572267944 /nfs/dbraw/zinc/26/79/44/572267944.db2.gz HBEMQZFGEKMSFD-GXERTZKPSA-N 0 0 572.533 8.038 50 30 KKEARN Cc1nn(-c2ccc(F)cc2F)c2c1C(Cl)C(=CN=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000252608864 572268064 /nfs/dbraw/zinc/26/80/64/572268064.db2.gz HOKAKXLPGHQCKV-UHFFFAOYSA-N 0 0 534.838 7.491 50 30 KKEARN COc1cc(Br)c(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)cc1OC ZINC000252608360 572268076 /nfs/dbraw/zinc/26/80/76/572268076.db2.gz HJWICYOGWVIFLP-OFYGDPCRSA-N 0 0 523.452 6.313 50 30 KKEARN Cc1ccc(NC(=O)CCCC(=O)OCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Br)cc2)cc1 ZINC000252608790 572268077 /nfs/dbraw/zinc/26/80/77/572268077.db2.gz HMZYSIUIXFIDOY-UHFFFAOYSA-N 0 0 598.410 5.742 50 30 KKEARN CCOC(=O)c1ccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000252610564 572268193 /nfs/dbraw/zinc/26/81/93/572268193.db2.gz ICPFGIXFTWXPRZ-UHFFFAOYSA-N 0 0 649.539 7.111 50 30 KKEARN Cc1cc(C)cc(N=C2S/C(=C3\C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000252610537 572268206 /nfs/dbraw/zinc/26/82/06/572268206.db2.gz ICHQISLBUXYGEX-BDNGOXEISA-N 0 0 502.039 7.013 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3cc(I)ccc3O)cc2s1)Nc1ccccc1F ZINC000252611739 572268301 /nfs/dbraw/zinc/26/83/01/572268301.db2.gz IMPBJWAYHLPYDN-UHFFFAOYSA-N 0 0 563.417 6.227 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)N2C)cc1 ZINC000252611584 572268303 /nfs/dbraw/zinc/26/83/03/572268303.db2.gz ILLDZCCEXCEVLI-WUYGSQBZSA-N 0 0 508.643 7.224 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(C)c3)c3ccccc32)cc1 ZINC000252612003 572268334 /nfs/dbraw/zinc/26/83/34/572268334.db2.gz IOYBXQBHUKEZLA-PBKAENSPSA-N 0 0 512.609 6.347 50 30 KKEARN CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000252612725 572268505 /nfs/dbraw/zinc/26/85/05/572268505.db2.gz IUYKJCYVAMEXDZ-UHFFFAOYSA-N 0 0 541.254 5.711 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OC)c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000252613419 572268507 /nfs/dbraw/zinc/26/85/07/572268507.db2.gz JAZUVPZHECJLDV-JHKOBTARSA-N 0 0 543.870 6.924 50 30 KKEARN Clc1ccccc1COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000252614690 572268609 /nfs/dbraw/zinc/26/86/09/572268609.db2.gz JLWVXVZIABBVDE-UHFFFAOYSA-N 0 0 516.005 5.130 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)SC1=Nc1ccc(/C=C\c2ccccc2)cc1 ZINC000252614971 572268647 /nfs/dbraw/zinc/26/86/47/572268647.db2.gz JOIMRAYAVVQWJV-KHAQIBPLSA-N 0 0 615.824 9.333 50 30 KKEARN COc1cc(C=NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252616659 572268729 /nfs/dbraw/zinc/26/87/29/572268729.db2.gz KCYYEAXHTLHGMI-UHFFFAOYSA-N 0 0 632.498 6.374 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000252616856 572268800 /nfs/dbraw/zinc/26/88/00/572268800.db2.gz KHDRJZFFGXPYQB-UHFFFAOYSA-N 0 0 517.419 6.993 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000252616980 572268836 /nfs/dbraw/zinc/26/88/36/572268836.db2.gz KJWVBXZHQAYJCP-HJJPVZQISA-N 0 0 511.672 7.026 50 30 KKEARN Cc1cc(C)cc(N=C2S/C(=C3\C(=O)Nc4c3cc(Br)cc4C)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000252617877 572269004 /nfs/dbraw/zinc/26/90/04/572269004.db2.gz LAFZTNQKDGINQL-BDNGOXEISA-N 0 0 546.490 7.122 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc4sc(C)nc4c3)N(c3ccccc3)C1=O)S2 ZINC000252617675 572269012 /nfs/dbraw/zinc/26/90/12/572269012.db2.gz KYFDKYZHODDYBT-QUNKUPIRSA-N 0 0 516.673 6.792 50 30 KKEARN CCn1c2ccccc2c2cc(N=C3S[C@@H](CC(=O)Nc4ccc(Cl)cc4)C(=O)N3CC)ccc21 ZINC000252617955 572269022 /nfs/dbraw/zinc/26/90/22/572269022.db2.gz LCIZSECGWGVOEK-DEOSSOPVSA-N 0 0 505.043 6.448 50 30 KKEARN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4c(Cl)cccc4Cl)cc3s2)cc1 ZINC000252618092 572269127 /nfs/dbraw/zinc/26/91/27/572269127.db2.gz LDNOGOZVVIKMTN-UHFFFAOYSA-N 0 0 530.458 6.871 50 30 KKEARN CCCCCCn1c2ccccc2nc1N=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000252619323 572269230 /nfs/dbraw/zinc/26/92/30/572269230.db2.gz LNZXAVPWZQCSNW-UMSFTDKQSA-N 0 0 525.700 8.723 50 30 KKEARN COc1cc(Br)cc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O ZINC000252619584 572269244 /nfs/dbraw/zinc/26/92/44/572269244.db2.gz LQNYEQKPDBTKAY-UHFFFAOYSA-N 0 0 583.607 6.980 50 30 KKEARN CCCN(CCC)c1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000252619084 572269257 /nfs/dbraw/zinc/26/92/57/572269257.db2.gz LMBFBUFSKPPRCX-LHUIWCMESA-N 0 0 511.735 8.246 50 30 KKEARN CCN1C(=O)/C(=C/C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc2nc(C)sc2c1 ZINC000252620238 572269371 /nfs/dbraw/zinc/26/93/71/572269371.db2.gz LZWMYKZONRYSIH-KQVYRMADSA-N 0 0 550.753 8.050 50 30 KKEARN Cc1ccccc1N=C1S/C(=C2\C(=O)Nc3c2cc(Br)cc3Br)C(=O)N1c1ccccc1C ZINC000252621062 572269478 /nfs/dbraw/zinc/26/94/78/572269478.db2.gz MSCQNCOEZUZCBF-IMWWEVPPSA-N 0 0 583.305 6.959 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4Cl)C(=O)[C@H]23)cc1 ZINC000252621198 572269484 /nfs/dbraw/zinc/26/94/84/572269484.db2.gz MVDFQNUBNHVQJI-UUHODFECSA-N 0 0 517.028 6.856 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000252621796 572269615 /nfs/dbraw/zinc/26/96/15/572269615.db2.gz NGXRRBNVLDBJBN-GVBCJYLXSA-N 0 0 556.687 8.232 50 30 KKEARN Brc1cccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c1 ZINC000252622067 572269675 /nfs/dbraw/zinc/26/96/75/572269675.db2.gz NNZSBVHSGKUTOQ-UHFFFAOYSA-N 0 0 510.440 5.321 50 30 KKEARN CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000252622540 572269766 /nfs/dbraw/zinc/26/97/66/572269766.db2.gz NXSGMDFIXPLGJD-UHFFFAOYSA-N 0 0 504.637 6.811 50 30 KKEARN COc1cc(Br)cc(/C=C2\SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)c1O ZINC000252622278 572269785 /nfs/dbraw/zinc/26/97/85/572269785.db2.gz NRNYTFISFWOCDK-RLWKDQHPSA-N 0 0 537.479 7.206 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=Nc2ccccc2)cc1 ZINC000252622587 572269792 /nfs/dbraw/zinc/26/97/92/572269792.db2.gz NYOCVIHGOJLREV-JDOOXQOUSA-N 0 0 549.652 6.517 50 30 KKEARN COC(=O)c1ccc(N=C2S/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)N2C)cc1 ZINC000252623135 572269906 /nfs/dbraw/zinc/26/99/06/572269906.db2.gz OKVPBFLVRQBECB-VOIZFXIKSA-N 0 0 515.591 5.033 50 30 KKEARN Oc1ccc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000252622724 572269910 /nfs/dbraw/zinc/26/99/10/572269910.db2.gz OBFZVCLVLCAHAG-UHFFFAOYSA-N 0 0 523.338 5.115 50 30 KKEARN Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000252622948 572269916 /nfs/dbraw/zinc/26/99/16/572269916.db2.gz OGIYJWHGPGQYDW-NGNOOAMGSA-N 0 0 526.105 8.198 50 30 KKEARN Cc1c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000252622947 572269919 /nfs/dbraw/zinc/26/99/19/572269919.db2.gz OGIYJWHGPGQYDW-CIAJQKJXSA-N 0 0 526.105 8.198 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252623568 572269983 /nfs/dbraw/zinc/26/99/83/572269983.db2.gz OUKAQTQCSSQVPS-CQQVBEJESA-N 0 0 520.582 5.824 50 30 KKEARN COc1cccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c1 ZINC000252623565 572269991 /nfs/dbraw/zinc/26/99/91/572269991.db2.gz OUJOHOWZZDIQMM-UHFFFAOYSA-N 0 0 554.699 5.341 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4ccc(F)cc4F)nc3c2)c1O ZINC000252624112 572270084 /nfs/dbraw/zinc/27/00/84/572270084.db2.gz PGNYZKDGMDPTRJ-UHFFFAOYSA-N 0 0 552.169 7.153 50 30 KKEARN Cc1cc2c(c(Br)c1)NC(=O)/C2=C1/SC(=Nc2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000252624275 572270120 /nfs/dbraw/zinc/27/01/20/572270120.db2.gz PKNLSGDDAMSZEC-PHLORGBYSA-N 0 0 546.490 7.122 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c1C ZINC000252624488 572270252 /nfs/dbraw/zinc/27/02/52/572270252.db2.gz POTIXKPOTCAOFF-UUHODFECSA-N 0 0 527.580 6.165 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000252625335 572270456 /nfs/dbraw/zinc/27/04/56/572270456.db2.gz QHPZTVNMXVEBLI-UHFFFAOYSA-N 0 0 513.663 7.480 50 30 KKEARN c1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1CCOc1ccccc1 ZINC000252625855 572270583 /nfs/dbraw/zinc/27/05/83/572270583.db2.gz QQNRGSXAESHKQJ-UHFFFAOYSA-N 0 0 524.673 5.332 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(N=Cc4ccccc4O)cc3s2)cc1OC ZINC000252626832 572270658 /nfs/dbraw/zinc/27/06/58/572270658.db2.gz RGNFNRJKRDZZOY-UHFFFAOYSA-N 0 0 507.637 5.221 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1O ZINC000252626743 572270668 /nfs/dbraw/zinc/27/06/68/572270668.db2.gz REVFAVMOCIBSCG-VMGUOVNQSA-N 0 0 552.288 6.472 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(N=Cc4ccc(Cl)cc4Cl)cc3s2)cc1OC ZINC000252627049 572270687 /nfs/dbraw/zinc/27/06/87/572270687.db2.gz RKYHBTCUJUIBKP-UHFFFAOYSA-N 0 0 560.528 6.822 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2cc(Cl)ccc2O)nc(Nc2ccc([N+](=O)[O-])cc2)n1 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1071155837 /nfs/dbraw/zinc/15/58/37/1071155837.db2.gz AZKBMDIIZPRTOF-UHFFFAOYSA-N 0 0 538.720 5.030 50 30 KKEARN COc1cc(C=NNC(=S)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000263626326 1071153767 /nfs/dbraw/zinc/15/37/67/1071153767.db2.gz IGISFQMMSSAKIB-UHFFFAOYSA-N 0 0 504.656 5.575 50 30 KKEARN O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21 ZINC000097984270 1071162666 /nfs/dbraw/zinc/16/26/66/1071162666.db2.gz GEZOXFAYADYHJC-ZEVNXXKGSA-N 0 0 609.291 9.206 50 30 KKEARN CC1=CC[C@@H]([C@H](C)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC000150343150 1071169834 /nfs/dbraw/zinc/16/98/34/1071169834.db2.gz TXATWWMPVSGDTM-NXEZZACHSA-N 0 0 656.314 10.039 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)CCC/C1=C\c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000150481015 1071172616 /nfs/dbraw/zinc/17/26/16/1071172616.db2.gz KOKOVKGMNZMUAH-AKNMSSKMSA-N 0 0 676.909 9.004 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000029492303 1071179519 /nfs/dbraw/zinc/17/95/19/1071179519.db2.gz KIOWPJLSGSLJOT-NRSWLNAZSA-N 0 0 521.592 6.115 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@@H](CC(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000150623182 1071175680 /nfs/dbraw/zinc/17/56/80/1071175680.db2.gz UFHWLRATZLTHKV-FNFBAFLYSA-N 0 0 651.785 6.989 50 30 KKEARN CN(C(=O)COc1ccc(Cl)cc1)[C@@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)C1=O ZINC000033385836 1071196948 /nfs/dbraw/zinc/19/69/48/1071196948.db2.gz MZOZADCRZZFDPL-IDCPSWPBSA-N 0 0 500.447 6.624 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000033481310 1071198525 /nfs/dbraw/zinc/19/85/25/1071198525.db2.gz XOYWMXSYFUSEOT-YPKPFQOOSA-N 0 0 512.591 5.296 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cc1 ZINC000033540538 1071199138 /nfs/dbraw/zinc/19/91/38/1071199138.db2.gz DWVKTSFESHKYTD-SXGWCWSVSA-N 0 0 507.637 5.350 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)n2C[C@H]2CCCO2)cc1 ZINC000017969452 1071227533 /nfs/dbraw/zinc/22/75/33/1071227533.db2.gz PXVFYCMAMILNMQ-SYANTJLKSA-N 0 0 504.656 5.105 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1OC ZINC000604403894 1071267774 /nfs/dbraw/zinc/26/77/74/1071267774.db2.gz CJVQPTYLIYOVEM-UFMRRADMSA-N 0 0 620.654 6.326 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cc(Cl)ccc2-n2ccnc2)C[C@H]1C ZINC000604404079 1071269182 /nfs/dbraw/zinc/26/91/82/1071269182.db2.gz BTRSWACSLGAHHN-SHZVTRLKSA-N 0 0 514.365 5.115 50 30 KKEARN C=C(C)COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)c(OC)c2)C4=O)ccc1OC ZINC000604404879 1071271093 /nfs/dbraw/zinc/27/10/93/1071271093.db2.gz HXPZQIMNBDXWMX-DGBIYHDASA-N 0 0 528.557 5.725 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(O)c(-c3nc4ccccc4o3)c2)C[C@H]1C ZINC000604404989 1071271179 /nfs/dbraw/zinc/27/11/79/1071271179.db2.gz NORPZAWRJYCRBQ-ONSXPEOJSA-N 0 0 546.963 5.790 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cccc(-c3cc4ccccc4oc3=O)c2)C[C@H]1C ZINC000604405025 1071271771 /nfs/dbraw/zinc/27/17/71/1071271771.db2.gz UMXSCXRBZCCXQV-MKTHODDLSA-N 0 0 557.986 6.049 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)C[C@H]1C ZINC000604405374 1071272673 /nfs/dbraw/zinc/27/26/73/1071272673.db2.gz RNWTWVGOGUEQFI-FOGNVHKLSA-N 0 0 560.990 6.098 50 30 KKEARN CC(/C=C/C=C(C)/C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000604941266 1071275095 /nfs/dbraw/zinc/27/50/95/1071275095.db2.gz MQZIGYBFDRPAKN-CPFWMWSYSA-N 0 0 596.852 8.905 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000822645990 1071280739 /nfs/dbraw/zinc/28/07/39/1071280739.db2.gz NJGLYXNVJFEDQT-HHVIQTLASA-N 0 0 818.320 5.319 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824595873 1071283604 /nfs/dbraw/zinc/28/36/04/1071283604.db2.gz JAYNPMHTTQCITP-DJMBDIGYSA-N 0 0 675.134 5.820 50 30 KKEARN CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000822645991 1071280606 /nfs/dbraw/zinc/28/06/06/1071280606.db2.gz NJGLYXNVJFEDQT-JTBZJOMQSA-N 0 0 818.320 5.319 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N[C@@H](CCSC)c2nc(C)no2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824896177 1071286568 /nfs/dbraw/zinc/28/65/68/1071286568.db2.gz INOASZMUWRGGCG-AICGUOCESA-N 0 0 702.182 5.282 50 30 KKEARN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3I)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000826679721 1071287461 /nfs/dbraw/zinc/28/74/61/1071287461.db2.gz RXWRORVBSWZFMU-NXCFDTQHSA-N 0 0 541.392 5.884 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccc(OC)c(OCCc2ccc3c(c2)CCO3)c1 ZINC000824739399 1071286015 /nfs/dbraw/zinc/28/60/15/1071286015.db2.gz CCQTZIPWHYDOLI-UYIUVGFDSA-N 0 0 728.154 5.558 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(OC)c(OC)c1 ZINC000217693001 1071292209 /nfs/dbraw/zinc/29/22/09/1071292209.db2.gz OUNDFELVMRRYNS-CJYOKPGZSA-N 0 0 549.620 5.615 50 30 KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(OC)c(OCCc5ccc6c(c5)CCO6)c3)CC(=O)O4)C2=O)cc1 ZINC000217843508 1071292790 /nfs/dbraw/zinc/29/27/90/1071292790.db2.gz HRNYGFBBXCOOHZ-HOFFDHMBSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OC)c3OCCc3ccc5c(c3)CCO5)CC(=O)O4)C2=O)cc1 ZINC000217992922 1071294853 /nfs/dbraw/zinc/29/48/53/1071294853.db2.gz UHVNGFMVRAAZOP-XTYFKDDUSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN COC(=O)c1cccc(-c2ccc(/C=C3\S/C(=N/Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)c1 ZINC000100278536 1071300626 /nfs/dbraw/zinc/30/06/26/1071300626.db2.gz GJBRIKPHAMGYEB-BDJRAXNJSA-N 0 0 508.599 6.406 50 30 KKEARN COc1ccccc1N(CC(=O)/C=C1\N(C)c2ccccc2C1(C)C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000102923185 1071305544 /nfs/dbraw/zinc/30/55/44/1071305544.db2.gz VAWXNNRKLVWHTG-ONUIUJJFSA-N 0 0 544.595 5.790 50 30 KKEARN COc1cccc(N=c2scc(-c3cccc(Br)c3)n2N=C/C=C\c2ccccc2OC)c1 ZINC000886017724 1071315933 /nfs/dbraw/zinc/31/59/33/1071315933.db2.gz PCJPPNGNCXGRNL-VLSLIJBRSA-N 0 0 520.452 6.776 50 30 KKEARN CC(=Nn1c(-c2ccc(Br)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)cc1 ZINC000886017725 1071316399 /nfs/dbraw/zinc/31/63/99/1071316399.db2.gz QJUXXWVUXWMYKF-UHFFFAOYSA-N 0 0 592.950 6.935 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003345307 1071319460 /nfs/dbraw/zinc/31/94/60/1071319460.db2.gz WIVHIPUNZICSKQ-UHFFFAOYSA-N 0 0 513.623 5.042 50 30 KKEARN COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000103029241 1071328475 /nfs/dbraw/zinc/32/84/75/1071328475.db2.gz CWQFGUTYUZHJJT-SEYXRHQNSA-N 0 0 563.701 5.309 50 30 KKEARN COc1cc(/C=C(\C(=O)OCC(=O)Nc2ccc(C#N)cc2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000103084543 1071332795 /nfs/dbraw/zinc/33/27/95/1071332795.db2.gz FISMEKINTSAZJN-QRQIAZFYSA-N 0 0 548.595 5.974 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000103095621 1071335389 /nfs/dbraw/zinc/33/53/89/1071335389.db2.gz KIOWPJLSGSLJOT-LCJPNOMFSA-N 0 0 521.592 6.115 50 30 KKEARN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21 ZINC000103936305 1071338760 /nfs/dbraw/zinc/33/87/60/1071338760.db2.gz GEZOXFAYADYHJC-QWUXMGJCSA-N 0 0 609.291 9.206 50 30 KKEARN Cc1nccn1/C=C1/C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](F)[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C(C)(C)C1=O ZINC000685945319 1072826616 /nfs/dbraw/zinc/82/66/16/1072826616.db2.gz BOQNHORYINVUQY-MIDGDFLQSA-N 0 0 564.786 7.576 50 30 KKEARN C[C@@H]1CC[C@]2(C(=O)n3cncn3)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000685945405 1072827253 /nfs/dbraw/zinc/82/72/53/1072827253.db2.gz LCDQFDXJRNAVQB-WTCKNPPESA-N 0 0 519.730 6.324 50 30 KKEARN COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)C[C@@H](O)OC[C@]4(C)C=O)[C@]1(C)CC2 ZINC000685945484 1072828221 /nfs/dbraw/zinc/82/82/21/1072828221.db2.gz WBWRDVMWBZNAPC-PLUUPWBCSA-N 0 0 514.703 5.120 50 30 KKEARN CCCCCCCCCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000245266999 1072830645 /nfs/dbraw/zinc/83/06/45/1072830645.db2.gz LAZJDBKEJMLVRR-MHZLTWQESA-N 0 0 729.601 8.992 50 30 KKEARN O=C(Nc1ccc(F)c(Cl)c1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100603 1072832844 /nfs/dbraw/zinc/83/28/44/1072832844.db2.gz GWNLBHRIBKZTPP-WCBMZHEXSA-N 0 0 623.618 7.290 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000097969645 1072836471 /nfs/dbraw/zinc/83/64/71/1072836471.db2.gz XMHUGTWNRKCKEC-MGBGTMOVSA-N 0 0 560.823 9.121 50 30 KKEARN COc1cc(/C=C2/CCC/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc(Br)c1O ZINC000097981392 1072838799 /nfs/dbraw/zinc/83/87/99/1072838799.db2.gz SXZQTZGACYKCGH-LRSUZXNRSA-N 0 0 524.205 5.860 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000097999687 1072842212 /nfs/dbraw/zinc/84/22/12/1072842212.db2.gz UUXIAAGTAHWVRN-VWLRAHFJSA-N 0 0 621.177 8.874 50 30 KKEARN CCC(N=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254289292 1072843416 /nfs/dbraw/zinc/84/34/16/1072843416.db2.gz OWBRDRVHNJUTHH-UHFFFAOYSA-N 0 0 518.542 5.840 50 30 KKEARN CCNC(=S)Nc1ccccc1N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000254384572 1072851034 /nfs/dbraw/zinc/85/10/34/1072851034.db2.gz BQYWAEVEQCIZRQ-RETMAPSQSA-N 0 0 546.656 6.939 50 30 KKEARN CCN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000254407726 1072853858 /nfs/dbraw/zinc/85/38/58/1072853858.db2.gz QNTKULSKSYWJKB-UHFFFAOYSA-N 0 0 562.611 5.887 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2C=NN2C(=S)N=NC2Cc2cccc3ccccc32)cc1 ZINC000254406537 1072853977 /nfs/dbraw/zinc/85/39/77/1072853977.db2.gz CZZPUJAFARFNNL-UHFFFAOYSA-N 0 0 516.630 6.054 50 30 KKEARN CCCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(CC)CC)cc1OCCC ZINC000254440776 1072855185 /nfs/dbraw/zinc/85/51/85/1072855185.db2.gz IQJBRFKBTVBWHN-UHFFFAOYSA-N 0 0 506.625 5.039 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3c(O)ccc4ccccc43)=C2N2CCOCC2)cc1 ZINC000254441139 1072855286 /nfs/dbraw/zinc/85/52/86/1072855286.db2.gz DSDBQTXIUYBBLL-HZDMKURQSA-N 0 0 508.666 6.260 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254443086 1072855668 /nfs/dbraw/zinc/85/56/68/1072855668.db2.gz KXBMYELWRMUDSU-ZMLDKDCVSA-N 0 0 605.827 6.817 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254443083 1072855773 /nfs/dbraw/zinc/85/57/73/1072855773.db2.gz KXBMYELWRMUDSU-ZJTOEXCUSA-N 0 0 605.827 6.817 50 30 KKEARN Cc1cc(C=Nn2c(-c3cccs3)csc2=Nc2ccccc2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000254482347 1072857401 /nfs/dbraw/zinc/85/74/01/1072857401.db2.gz IZSMPTYSMBURST-UHFFFAOYSA-N 0 0 672.902 6.421 50 30 KKEARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N=C2c3ccccc3CN2c2cccc(C(C)=O)c2)cc1 ZINC000254515497 1072861541 /nfs/dbraw/zinc/86/15/41/1072861541.db2.gz FRDQASDEGDAXDL-UHFFFAOYSA-N 0 0 553.640 5.330 50 30 KKEARN CC(C)CCOc1ccc(C=Nn2c(-c3ccc4c(c3)NC(=O)CO4)csc2=Nc2ccc(F)cc2)cc1 ZINC000254590598 1072865709 /nfs/dbraw/zinc/86/57/09/1072865709.db2.gz AGZGMZUCTBKMJW-UHFFFAOYSA-N 0 0 530.625 6.226 50 30 KKEARN CCCCN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 ZINC000254616272 1072867803 /nfs/dbraw/zinc/86/78/03/1072867803.db2.gz LNJMVYCHFLIIRW-UHFFFAOYSA-N 0 0 562.667 5.973 50 30 KKEARN Cc1cccc(N=c2scc(-c3cccc([N+](=O)[O-])c3)n2N=C2c3ccccc3N(CC(C)C)C2=O)c1C ZINC000254721470 1072872894 /nfs/dbraw/zinc/87/28/94/1072872894.db2.gz NMFQVDQHANWWQM-UHFFFAOYSA-N 0 0 525.634 6.229 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000254734205 1072873350 /nfs/dbraw/zinc/87/33/50/1072873350.db2.gz FGGPUSWGFTULRS-OCJQKFDJSA-N 0 0 586.717 7.922 50 30 KKEARN COc1cc(OC)c(OC)cc1C=Nc1ccc(Oc2ccc(N=Cc3cc(OC)c(OC)cc3OC)cc2)cc1 ZINC000254760223 1072877323 /nfs/dbraw/zinc/87/73/23/1072877323.db2.gz WIBPCWJDHXMZBL-UHFFFAOYSA-N 0 0 556.615 7.032 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000254789690 1072878858 /nfs/dbraw/zinc/87/88/58/1072878858.db2.gz YBLYCFJJPBJQQV-UHFFFAOYSA-N 0 0 576.766 7.679 50 30 KKEARN Cc1ccc(N=c2scc(-c3cc4ccccc4o3)n2N=C2c3ccccc3N(Cc3ccccc3)C2=O)c(C)c1 ZINC000254790935 1072879439 /nfs/dbraw/zinc/87/94/39/1072879439.db2.gz JTVKIUGRTCDKQN-UHFFFAOYSA-N 0 0 554.675 7.611 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1CN=Nc1nnc(-c2ccc(C)c(C)c2)c2ccccc21 ZINC000254832986 1072882699 /nfs/dbraw/zinc/88/26/99/1072882699.db2.gz ZTNWSNZQMCBQFH-UHFFFAOYSA-N 0 0 597.773 8.615 50 30 KKEARN C(#Cc1ccc(-c2nc3ccccc3nc2-c2cccc(C#Cc3ccc(Oc4ccccc4)cc3)c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000150506333 1072906402 /nfs/dbraw/zinc/90/64/02/1072906402.db2.gz CCPQOXHBBKDPEH-UHFFFAOYSA-N 0 0 666.780 11.348 50 30 KKEARN [O-]c1c(C[NH2+][C@H]2CCCC[C@H]2/N=C/c2cccc(-c3c(F)c(F)c(F)c(F)c3F)c2O)cccc1-c1c(F)c(F)c(F)c(F)c1F ZINC001501018249 1072921906 /nfs/dbraw/zinc/92/19/06/1072921906.db2.gz NLJCGFOPEQFWQJ-XOZUKITKSA-N 0 0 656.520 8.343 50 30 KKEARN CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000039146731 1073210283 /nfs/dbraw/zinc/21/02/83/1073210283.db2.gz HNOHUCONJUCNLK-UHFFFAOYSA-N 0 0 511.647 5.920 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(F)c2)cc1OC ZINC000000648395 193865251 /nfs/dbraw/zinc/86/52/51/193865251.db2.gz LWENYMSZNHEICB-XJFCNFDWSA-N 0 0 541.619 5.990 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000648939 193866057 /nfs/dbraw/zinc/86/60/57/193866057.db2.gz JGYWMZDKZHOOJK-DNOBIOAJSA-N 0 0 570.480 5.788 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000000650208 193868187 /nfs/dbraw/zinc/86/81/87/193868187.db2.gz PBEXXAINDIIADU-WBBHLRKXSA-N 0 0 539.628 5.557 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000650321 193868235 /nfs/dbraw/zinc/86/82/35/193868235.db2.gz MRAFLAQWPUQROE-OLILMLBXSA-N 0 0 533.621 5.265 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 ZINC000000649401 193866620 /nfs/dbraw/zinc/86/66/20/193866620.db2.gz DJHXYBNVYWCTLM-XMMPIXPASA-N 0 0 512.400 5.178 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649550 193867205 /nfs/dbraw/zinc/86/72/05/193867205.db2.gz RKIAZOCCMCNHML-SLQAJWMNSA-N 0 0 596.518 6.322 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649842 193867468 /nfs/dbraw/zinc/86/74/68/193867468.db2.gz HNPQHXXQTYAYOU-SLGOVJDISA-N 0 0 555.627 5.523 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000649815 193867533 /nfs/dbraw/zinc/86/75/33/193867533.db2.gz GYNBWMJVDSJYDW-VVFBEHOQSA-N 0 0 567.638 5.595 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2ccccc2C(F)(F)F)c1C#N ZINC000006245993 193877479 /nfs/dbraw/zinc/87/74/79/193877479.db2.gz WHPLJFXDMKAFAX-UHFFFAOYSA-N 0 0 533.575 7.354 50 30 KKEARN Cc1ccc(NC(=O)COc2c(Cl)cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1Cl ZINC000100374731 193907869 /nfs/dbraw/zinc/90/78/69/193907869.db2.gz SFRNCKLWIDEVII-UHFFFAOYSA-N 0 0 615.985 7.946 50 30 KKEARN COc1c2c(cc3c1[C@H](C#C[C@]1(O)C[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]4(C)C1)N(C)CC3)OCO2 ZINC000253531159 195474413 /nfs/dbraw/zinc/47/44/13/195474413.db2.gz MCUPXNVFHLLYNR-HYUFRADVSA-N 0 0 531.693 5.219 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC[C@]5(c6ccccc6)CCO[C@H](C(C)C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533389 195477564 /nfs/dbraw/zinc/47/75/64/195477564.db2.gz JISYTCWHNSEYLK-VSURIPKBSA-N 0 0 614.871 6.965 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000635393 551506065 /nfs/dbraw/zinc/50/60/65/551506065.db2.gz RHXYNOXOVLTHGL-QFIPXVFZSA-N 0 0 520.607 5.427 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Br)o1 ZINC000000636170 551506358 /nfs/dbraw/zinc/50/63/58/551506358.db2.gz DVABFXXYVAIDBD-UHFFFAOYSA-N 0 0 537.395 5.211 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000647243 551508153 /nfs/dbraw/zinc/50/81/53/551508153.db2.gz JTISBAXSJKDXLT-PRAQEBQASA-N 0 0 527.577 5.923 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000647237 551508187 /nfs/dbraw/zinc/50/81/87/551508187.db2.gz JTISBAXSJKDXLT-WENCNXQZSA-N 0 0 527.577 5.923 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Br)cc2)cc1OC ZINC000000647970 551509104 /nfs/dbraw/zinc/50/91/04/551509104.db2.gz OZZQPRXAVRMNEY-AFMDSPMNSA-N 0 0 540.454 5.780 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000000647961 551509108 /nfs/dbraw/zinc/50/91/08/551509108.db2.gz QNQQHVYPVODZSA-BXKMTCNYSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000000647972 551509109 /nfs/dbraw/zinc/50/91/09/551509109.db2.gz OZZQPRXAVRMNEY-SIBVEZHUSA-N 0 0 540.454 5.780 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Br)c1 ZINC000000647963 551509114 /nfs/dbraw/zinc/50/91/14/551509114.db2.gz QNQQHVYPVODZSA-XDHUDOTRSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648101 551509361 /nfs/dbraw/zinc/50/93/61/551509361.db2.gz YHCVXPQSPBKNAE-WKRVVKTRSA-N 0 0 545.676 6.338 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OC)cc1OC ZINC000000648451 551509547 /nfs/dbraw/zinc/50/95/47/551509547.db2.gz YMLISNWCHOAMDR-WTYVLRPYSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2Cl)cc1OC ZINC000000648491 551509895 /nfs/dbraw/zinc/50/98/95/551509895.db2.gz QZXHWSLHSUMWKQ-UZTOHYMASA-N 0 0 510.030 5.918 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccccc2Cl)cc1OC ZINC000000648493 551509972 /nfs/dbraw/zinc/50/99/72/551509972.db2.gz QZXHWSLHSUMWKQ-PPHZAIPVSA-N 0 0 510.030 5.918 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648471 551509977 /nfs/dbraw/zinc/50/99/77/551509977.db2.gz XEDLLLVBUUKNNG-YKGWIAGDSA-N 0 0 533.665 6.052 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000000648993 551510409 /nfs/dbraw/zinc/51/04/09/551510409.db2.gz DEEIWLSWMNPQEN-MRDQGFSESA-N 0 0 556.453 5.400 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649718 551511340 /nfs/dbraw/zinc/51/13/40/551511340.db2.gz YRBVPSYWFFDXNB-GPNASLBKSA-N 0 0 569.654 5.566 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650083 551511841 /nfs/dbraw/zinc/51/18/41/551511841.db2.gz XHZQRKURTJBWQE-WVXBCFDCSA-N 0 0 559.659 5.728 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650061 551511873 /nfs/dbraw/zinc/51/18/73/551511873.db2.gz KXHDJKXAXSSBFT-AKJBCIBTSA-N 0 0 572.452 5.018 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650566 551512083 /nfs/dbraw/zinc/51/20/83/551512083.db2.gz XEHBKCNATXWUGQ-XMMPIXPASA-N 0 0 527.415 5.082 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000650385 551512136 /nfs/dbraw/zinc/51/21/36/551512136.db2.gz BSNIVDOUILFARS-HPMVVLTCSA-N 0 0 597.664 5.743 50 30 KKEARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)c1 ZINC000000650842 551512513 /nfs/dbraw/zinc/51/25/13/551512513.db2.gz SPNXGDNATRSLAU-AZUAARDMSA-N 0 0 501.534 5.616 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000651905 551513001 /nfs/dbraw/zinc/51/30/01/551513001.db2.gz AUUIYBYETNFGIJ-HLADLETHSA-N 0 0 507.586 5.563 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc4c(c1)OCO4)N3)CCCC2 ZINC000000659083 551514629 /nfs/dbraw/zinc/51/46/29/551514629.db2.gz AVMDCHAVJVCKIN-QRWLVFNGSA-N 0 0 515.517 5.336 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc4c(c1)OCO4)N3)CCCC2 ZINC000000659086 551514652 /nfs/dbraw/zinc/51/46/52/551514652.db2.gz AVMDCHAVJVCKIN-FOIQADDNSA-N 0 0 515.517 5.336 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000000659223 551514798 /nfs/dbraw/zinc/51/47/98/551514798.db2.gz ZJHCYXHTUPLJTJ-MYYSRTQBSA-N 0 0 544.829 5.756 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000000659213 551514801 /nfs/dbraw/zinc/51/48/01/551514801.db2.gz LFXJRLJKQRSMSH-VWLOTQADSA-N 0 0 538.438 5.568 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000659147 551514831 /nfs/dbraw/zinc/51/48/31/551514831.db2.gz JFINWHAGRNLNSQ-QAZDYGKNSA-N 0 0 554.481 6.170 50 30 KKEARN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3ccccc3)c2)C2=C1CC(C)(C)CC2=O ZINC000000665623 551516984 /nfs/dbraw/zinc/51/69/84/551516984.db2.gz OQIPTZPEZNJDBH-UHFFFAOYSA-N 0 0 512.650 6.020 50 30 KKEARN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)c2)cc1Cl ZINC000000665666 551517012 /nfs/dbraw/zinc/51/70/12/551517012.db2.gz PYPFAORRXIBZGN-UHFFFAOYSA-N 0 0 547.095 6.639 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2Br)c1 ZINC000000665785 551517222 /nfs/dbraw/zinc/51/72/22/551517222.db2.gz VNIHEDMLDHPCSU-UHFFFAOYSA-N 0 0 535.438 5.476 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000000666855 551517545 /nfs/dbraw/zinc/51/75/45/551517545.db2.gz SGQWEAFHYMBTET-DLLPINGYSA-N 0 0 539.628 5.817 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000666914 551517607 /nfs/dbraw/zinc/51/76/07/551517607.db2.gz OSUWSLKXPZXDPE-WINIVTDRSA-N 0 0 522.041 6.292 50 30 biogenic,in-vitro KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000000667050 551517931 /nfs/dbraw/zinc/51/79/31/551517931.db2.gz UOTNZHGSFWZXOM-XJTARGMPSA-N 0 0 505.611 5.416 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000672211 551519450 /nfs/dbraw/zinc/51/94/50/551519450.db2.gz VDEXYJKJBSNKFV-JQJBXXCASA-N 0 0 531.656 7.340 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@H](c1cccs1)C[C@H]3C(F)(F)F)CCCC2 ZINC000000673923 551520340 /nfs/dbraw/zinc/52/03/40/551520340.db2.gz GCWCFRBZUOKZIG-WFASDCNBSA-N 0 0 511.982 6.323 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000679264 551523469 /nfs/dbraw/zinc/52/34/69/551523469.db2.gz RGHDKRJFVZXCPO-MZNJEOGPSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000681740 551524585 /nfs/dbraw/zinc/52/45/85/551524585.db2.gz QSGYSFROCRAIND-AKJBCIBTSA-N 0 0 521.411 6.151 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCc1cccc(F)c1 ZINC000000683777 551524943 /nfs/dbraw/zinc/52/49/43/551524943.db2.gz YFPQLRPMNWDGIV-UHFFFAOYSA-N 0 0 587.429 6.109 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000689154 551526746 /nfs/dbraw/zinc/52/67/46/551526746.db2.gz VUINUBTWTQASKR-SIBVEZHUSA-N 0 0 532.413 5.984 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(COc3ccc(C#N)cc3)o2)C2=C(CCCC2=O)N1 ZINC000000689058 551526772 /nfs/dbraw/zinc/52/67/72/551526772.db2.gz PCESBNYBAHEURR-MHZLTWQESA-N 0 0 559.420 5.494 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000696088 551528007 /nfs/dbraw/zinc/52/80/07/551528007.db2.gz VTDUPFPVYLYMDJ-JOCHJYFZSA-N 0 0 512.473 5.809 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000000696070 551528099 /nfs/dbraw/zinc/52/80/99/551528099.db2.gz MPHOTNACJBJPJE-WNSROMTISA-N 0 0 552.678 7.035 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000000702687 551529837 /nfs/dbraw/zinc/52/98/37/551529837.db2.gz KPKBKBOHRZFBOQ-HOFKKMOUSA-N 0 0 523.626 5.276 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000702965 551529867 /nfs/dbraw/zinc/52/98/67/551529867.db2.gz GOOOAZKSVYZKLJ-NDEPHWFRSA-N 0 0 519.557 6.090 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCc1ccccc1 ZINC000000703007 551530205 /nfs/dbraw/zinc/53/02/05/551530205.db2.gz BXMFFONJAIGRQC-HKBQPEDESA-N 0 0 582.653 5.321 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000000703132 551530798 /nfs/dbraw/zinc/53/07/98/551530798.db2.gz CIPNXFRBMRYFJP-SANMLTNESA-N 0 0 570.623 6.468 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000000703131 551530803 /nfs/dbraw/zinc/53/08/03/551530803.db2.gz YQSRTHFTUCXNRW-AREMUKBSSA-N 0 0 540.597 6.547 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000707869 551531799 /nfs/dbraw/zinc/53/17/99/551531799.db2.gz SCAWVRBZXJCQEC-RBTNQOKQSA-N 0 0 538.040 5.977 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000708004 551531862 /nfs/dbraw/zinc/53/18/62/551531862.db2.gz KAHLZJAREMAVNQ-DCFHFQCYSA-N 0 0 502.567 5.451 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000708171 551532061 /nfs/dbraw/zinc/53/20/61/551532061.db2.gz XZBTYVFFSUNBPD-PEBXRYMYSA-N 0 0 532.818 5.351 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708014 551532124 /nfs/dbraw/zinc/53/21/24/551532124.db2.gz CKODWWPLGXLAEV-WRHNGFHOSA-N 0 0 536.024 5.925 50 30 KKEARN CCOc1ccc(NC(=NCc2ccc3c(c2)OCO3)S[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000000708462 551532367 /nfs/dbraw/zinc/53/23/67/551532367.db2.gz MYVJHZSNQHDWSO-AREMUKBSSA-N 0 0 547.633 5.055 50 30 aggregator KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000000710636 551533109 /nfs/dbraw/zinc/53/31/09/551533109.db2.gz GATNHYRPUOFIGS-LDLUVENISA-N 0 0 579.491 6.853 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000000710635 551533124 /nfs/dbraw/zinc/53/31/24/551533124.db2.gz GATNHYRPUOFIGS-LBEKAKSKSA-N 0 0 579.491 6.853 50 30 biogenic,in-vitro KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000000716692 551534620 /nfs/dbraw/zinc/53/46/20/551534620.db2.gz KWQOLQPLGWSUDU-KEEVHDRGSA-N 0 0 514.578 5.617 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc1OC ZINC000000717212 551534673 /nfs/dbraw/zinc/53/46/73/551534673.db2.gz FXFVVTXYOXEOBY-HJWYETAXSA-N 0 0 549.421 6.175 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000717681 551534828 /nfs/dbraw/zinc/53/48/28/551534828.db2.gz DRUVDEVQGSPFBD-XDHUDOTRSA-N 0 0 501.570 6.614 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718125 551535032 /nfs/dbraw/zinc/53/50/32/551535032.db2.gz SXGANHMVGCHPAB-HLADLETHSA-N 0 0 506.602 6.092 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000718144 551535229 /nfs/dbraw/zinc/53/52/29/551535229.db2.gz CUZCICFXLCZOFG-PKHCJMHPSA-N 0 0 542.632 6.032 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000000719689 551536100 /nfs/dbraw/zinc/53/61/00/551536100.db2.gz QMKIHUCOMSISGT-PMERELPUSA-N 0 0 555.675 6.235 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720180 551536938 /nfs/dbraw/zinc/53/69/38/551536938.db2.gz WZKAILLZMJJXPJ-DEOSSOPVSA-N 0 0 538.394 5.653 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000000729515 551539324 /nfs/dbraw/zinc/53/93/24/551539324.db2.gz ZSEMYKZZOZRERI-DEXQXJORSA-N 0 0 551.039 6.450 50 30 KKEARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000000729516 551539469 /nfs/dbraw/zinc/53/94/69/551539469.db2.gz PCAASQZZIAREET-UKPGIYTDSA-N 0 0 527.665 6.538 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Br)c1O ZINC000000729563 551539483 /nfs/dbraw/zinc/53/94/83/551539483.db2.gz PACIYGJOGWLZGY-WGDIFIGCSA-N 0 0 505.412 6.451 50 30 KKEARN CC(C)CN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000000745550 551541120 /nfs/dbraw/zinc/54/11/20/551541120.db2.gz ZUMRUCVCHLBHLX-UHFFFAOYSA-N 0 0 510.573 5.679 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000822772 551544262 /nfs/dbraw/zinc/54/42/62/551544262.db2.gz CYPVXLXUJIHCOZ-MNNSJKJDSA-N 0 0 501.623 6.028 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000844146 551547668 /nfs/dbraw/zinc/54/76/68/551547668.db2.gz QTLMPZQZOMDQRT-QHCPKHFHSA-N 0 0 518.448 5.556 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5ccccc5)cc4C(F)(F)F)c3Cl)sc2C1 ZINC000000845078 551548035 /nfs/dbraw/zinc/54/80/35/551548035.db2.gz DOWMTURSJLUOBB-LBPRGKRZSA-N 0 0 515.948 6.379 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cc(OC)ccc3OC)c2C#N)cc1 ZINC000000857406 551550665 /nfs/dbraw/zinc/55/06/65/551550665.db2.gz AMHUXWYUXRXMSA-UHFFFAOYSA-N 0 0 525.630 6.352 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1Br ZINC000000861326 551551266 /nfs/dbraw/zinc/55/12/66/551551266.db2.gz KQOWMLIMJYONIQ-FQRUVTKNSA-N 0 0 524.455 6.019 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000861357 551551288 /nfs/dbraw/zinc/55/12/88/551551288.db2.gz OKKSRFULAWPCKJ-LGGPFLRQSA-N 0 0 550.051 6.121 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863445 551551919 /nfs/dbraw/zinc/55/19/19/551551919.db2.gz AEIZBJYIJQQVEU-ONOMSOESSA-N 0 0 546.620 5.850 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000000863457 551552001 /nfs/dbraw/zinc/55/20/01/551552001.db2.gz MPYSWONPSBHQAW-FYSMJZIKSA-N 0 0 516.421 5.935 50 30 KKEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C1\C(=O)Nc2c1cc(Br)cc2Br ZINC000000865601 551552387 /nfs/dbraw/zinc/55/23/87/551552387.db2.gz DFUXIBMKYBGPHJ-UHFFFAOYSA-N 0 0 506.223 5.776 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(OC)c(OC)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O ZINC000000934407 551586712 /nfs/dbraw/zinc/58/67/12/551586712.db2.gz DHRPQDDAQWMFQD-UHFFFAOYSA-N 0 0 508.621 5.312 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccc(OC)cc1 ZINC000000949850 551588869 /nfs/dbraw/zinc/58/88/69/551588869.db2.gz RGLUFUVTOMNDOA-UHFFFAOYSA-N 0 0 526.087 5.880 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccc(OC)cc1 ZINC000000949846 551588928 /nfs/dbraw/zinc/58/89/28/551588928.db2.gz ISRWBMHSMUIFMU-UHFFFAOYSA-N 0 0 512.060 5.571 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000000950456 551589189 /nfs/dbraw/zinc/58/91/89/551589189.db2.gz BMBHNRBIYOYZSC-MUUNZHRXSA-N 0 0 563.654 5.373 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000000985921 551592473 /nfs/dbraw/zinc/59/24/73/551592473.db2.gz UCEDUESVBAWLLV-VKGTZQKMSA-N 0 0 566.576 6.484 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000985924 551592483 /nfs/dbraw/zinc/59/24/83/551592483.db2.gz VFKHKRRDTMZELY-QCBOHVIISA-N 0 0 574.677 7.235 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCC(=O)N2CCCCCC2)c1 ZINC000000985747 551592523 /nfs/dbraw/zinc/59/25/23/551592523.db2.gz CIAXVXVDMSLRNG-UHFFFAOYSA-N 0 0 505.655 5.868 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)cc2Cl)c1 ZINC000000987410 551593059 /nfs/dbraw/zinc/59/30/59/551593059.db2.gz HKJSROJYQPDTLZ-UHFFFAOYSA-N 0 0 548.079 7.066 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000000998680 551595079 /nfs/dbraw/zinc/59/50/79/551595079.db2.gz QVPHYQXVHPFHMT-GJBXTBEHSA-N 0 0 523.677 6.852 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000000998681 551595123 /nfs/dbraw/zinc/59/51/23/551595123.db2.gz QVPHYQXVHPFHMT-IANOAQMISA-N 0 0 523.677 6.852 50 30 KKEARN O=C1Nc2ccc(I)cc2/C1=C1/S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000001001069 551595662 /nfs/dbraw/zinc/59/56/62/551595662.db2.gz BCGKLOJFOTYIOX-JDQBESMRSA-N 0 0 523.355 5.422 50 30 KKEARN COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1Br ZINC000001001006 551595692 /nfs/dbraw/zinc/59/56/92/551595692.db2.gz MGYLQOBMHYDHJW-QFIPXVFZSA-N 0 0 553.375 6.172 50 30 KKEARN COc1cc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c([N+](=O)[O-])cc1OC ZINC000001049201 551599353 /nfs/dbraw/zinc/59/93/53/551599353.db2.gz ABVRWVZQCYOPNN-SFHVURJKSA-N 0 0 500.338 6.135 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C)c2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001062379 551601205 /nfs/dbraw/zinc/60/12/05/551601205.db2.gz GZRKZYVZINFXQY-XMMPIXPASA-N 0 0 520.626 5.001 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000001070641 551602938 /nfs/dbraw/zinc/60/29/38/551602938.db2.gz WCEKOHGEXIYCLY-MYUZEXMDSA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccccc2F)cc1 ZINC000001074536 551603512 /nfs/dbraw/zinc/60/35/12/551603512.db2.gz GECLHBOHBMFIDO-XHCCPWGMSA-N 0 0 503.595 6.001 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001074917 551604063 /nfs/dbraw/zinc/60/40/63/551604063.db2.gz SDWBMPBMTSEMQR-PIKZIKFNSA-N 0 0 544.629 6.078 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001076390 551604368 /nfs/dbraw/zinc/60/43/68/551604368.db2.gz PCZYCBCLDGOSBO-DNOBIOAJSA-N 0 0 545.661 5.478 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001077162 551604516 /nfs/dbraw/zinc/60/45/16/551604516.db2.gz ZJECRKRHKCRJRB-ODCWNRFASA-N 0 0 525.468 6.897 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000001077232 551604614 /nfs/dbraw/zinc/60/46/14/551604614.db2.gz MAPFDGRYQSIJTR-RKOGDMNLSA-N 0 0 525.432 6.999 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000001082055 551605899 /nfs/dbraw/zinc/60/58/99/551605899.db2.gz UKPQXGLLCQUQJB-VKGTZQKMSA-N 0 0 566.492 6.314 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001082063 551605902 /nfs/dbraw/zinc/60/59/02/551605902.db2.gz OLDNWIDHYRLCSP-FWUCURJTSA-N 0 0 569.654 5.826 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000001082087 551605953 /nfs/dbraw/zinc/60/59/53/551605953.db2.gz BSUISPGUVCRMIN-GOXGLGGOSA-N 0 0 567.638 5.734 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000001087525 551606656 /nfs/dbraw/zinc/60/66/56/551606656.db2.gz TVRHUWSWNHNJLE-HZAQMHFWSA-N 0 0 508.574 6.098 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001111157 551611274 /nfs/dbraw/zinc/61/12/74/551611274.db2.gz QFLZUQODKRTDAC-UGDMGKLASA-N 0 0 552.627 5.741 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001111160 551611303 /nfs/dbraw/zinc/61/13/03/551611303.db2.gz QFLZUQODKRTDAC-JPZYQRIQSA-N 0 0 552.627 5.741 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000001111140 551611364 /nfs/dbraw/zinc/61/13/64/551611364.db2.gz ZBHHUQMYGXTWTB-JRPXNJEYSA-N 0 0 542.607 5.852 50 30 KKEARN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000001112363 551611707 /nfs/dbraw/zinc/61/17/07/551611707.db2.gz RRJALXFLICJREM-UHFFFAOYSA-N 0 0 510.834 5.085 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001120708 551612994 /nfs/dbraw/zinc/61/29/94/551612994.db2.gz UGNXIIACIUIKOC-GDLZYMKVSA-N 0 0 521.529 6.044 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001123841 551613739 /nfs/dbraw/zinc/61/37/39/551613739.db2.gz LQFNVGRJLJSFHW-RCRUUEGKSA-N 0 0 553.615 5.921 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)cc1Br ZINC000001129976 551615384 /nfs/dbraw/zinc/61/53/84/551615384.db2.gz UXFDOKAGLQNWSR-XMMPIXPASA-N 0 0 543.433 5.848 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001132129 551615942 /nfs/dbraw/zinc/61/59/42/551615942.db2.gz ZNOJXNMKRIELNN-PIIWDFAUSA-N 0 0 513.546 5.122 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000001140640 551616936 /nfs/dbraw/zinc/61/69/36/551616936.db2.gz HTLHPIAZRCNFJV-WRGVRERRSA-N 0 0 575.683 5.888 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000001146208 551618470 /nfs/dbraw/zinc/61/84/70/551618470.db2.gz BGAURYNIBLQUFG-OAQYLSRUSA-N 0 0 557.397 5.037 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Br)cc1OC ZINC000001181973 551620924 /nfs/dbraw/zinc/62/09/24/551620924.db2.gz ZXGZRUNIFWRNBD-CBZJRKILSA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Br)cc1OC ZINC000001181975 551620945 /nfs/dbraw/zinc/62/09/45/551620945.db2.gz ZXGZRUNIFWRNBD-SOKVYYICSA-N 0 0 505.412 6.446 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)CCCC2 ZINC000001197311 551622761 /nfs/dbraw/zinc/62/27/61/551622761.db2.gz LZGUCCWQDOHAIL-UHFFFAOYSA-N 0 0 507.950 6.194 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000001201222 551623312 /nfs/dbraw/zinc/62/33/12/551623312.db2.gz ZZARJJNPCGSBSS-MMTVBGGISA-N 0 0 505.611 5.273 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000001201360 551623340 /nfs/dbraw/zinc/62/33/40/551623340.db2.gz QAFILSKSPCGJCJ-IQGLISFBSA-N 0 0 540.454 5.724 50 30 KKEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000001201525 551623510 /nfs/dbraw/zinc/62/35/10/551623510.db2.gz ZJBFZCYYKORPJB-NEEKEDPPSA-N 0 0 521.613 5.759 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000001202360 551623858 /nfs/dbraw/zinc/62/38/58/551623858.db2.gz KWLSNHUQYAMMOH-WVXBCFDCSA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001204254 551624112 /nfs/dbraw/zinc/62/41/12/551624112.db2.gz VMRRYIWFXVRKKD-MMTVBGGISA-N 0 0 566.492 6.314 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000001213250 551625647 /nfs/dbraw/zinc/62/56/47/551625647.db2.gz PEFOWGYDADZLGA-SSEXGKCCSA-N 0 0 509.602 5.986 50 30 KKEARN O=C1C[C@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000001214054 551626057 /nfs/dbraw/zinc/62/60/57/551626057.db2.gz LYSDSVPXIPAAPA-RXAIFQJESA-N 0 0 533.378 5.886 50 30 KKEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000001214061 551626060 /nfs/dbraw/zinc/62/60/60/551626060.db2.gz LYSDSVPXIPAAPA-KUNJGFBQSA-N 0 0 533.378 5.886 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000001219282 551627435 /nfs/dbraw/zinc/62/74/35/551627435.db2.gz LEGJXAZLIGIMSQ-UHFFFAOYSA-N 0 0 502.449 5.830 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000001220881 551627996 /nfs/dbraw/zinc/62/79/96/551627996.db2.gz FSSTVTSRHRIJES-RUZDIDTESA-N 0 0 526.427 5.220 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1cccnc1 ZINC000001238748 551630324 /nfs/dbraw/zinc/63/03/24/551630324.db2.gz ZJEYNSFCLWLHER-UHFFFAOYSA-N 0 0 588.123 5.544 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001254333 551633051 /nfs/dbraw/zinc/63/30/51/551633051.db2.gz SNIVXFOXVVZNJO-WINIVTDRSA-N 0 0 523.555 6.589 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc(C)c2C(=O)Nc2ccccc2)cc1OC ZINC000001272795 551635334 /nfs/dbraw/zinc/63/53/34/551635334.db2.gz DIOMCXHLUQSCCB-UHFFFAOYSA-N 0 0 573.074 6.582 50 30 aggregator KKEARN COc1cc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000001283757 551636741 /nfs/dbraw/zinc/63/67/41/551636741.db2.gz YUBQSNOXOLOXNG-JOCHJYFZSA-N 0 0 513.019 5.272 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1OC ZINC000001282872 551636743 /nfs/dbraw/zinc/63/67/43/551636743.db2.gz NRGVAEHIOZCXCY-QHCPKHFHSA-N 0 0 511.047 5.899 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000001301426 551638118 /nfs/dbraw/zinc/63/81/18/551638118.db2.gz ZYWGIEIWAWOAQJ-WBBHLRKXSA-N 0 0 548.664 7.058 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000001303166 551638503 /nfs/dbraw/zinc/63/85/03/551638503.db2.gz LYYYXIWLMVGEQO-VKGTZQKMSA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000001303164 551638537 /nfs/dbraw/zinc/63/85/37/551638537.db2.gz LYYYXIWLMVGEQO-HMILPKGGSA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C)cc3)C2)cc1 ZINC000001409572 551664161 /nfs/dbraw/zinc/66/41/61/551664161.db2.gz FOCITIUZAJEGEH-CCLHPLFOSA-N 0 0 506.524 6.467 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001409628 551664224 /nfs/dbraw/zinc/66/42/24/551664224.db2.gz KFGVICPIJUBQSK-JKFCTSDTSA-N 0 0 544.651 7.227 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000001411054 551664690 /nfs/dbraw/zinc/66/46/90/551664690.db2.gz CYDXQDDUXOYYGK-MUUNZHRXSA-N 0 0 526.589 5.492 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000001411051 551664733 /nfs/dbraw/zinc/66/47/33/551664733.db2.gz VXKXGDIHGBIMAS-MHZLTWQESA-N 0 0 512.562 5.102 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413412 551665416 /nfs/dbraw/zinc/66/54/16/551665416.db2.gz JGHISEUMWNCJNY-VWLOTQADSA-N 0 0 531.406 5.760 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000001413436 551665748 /nfs/dbraw/zinc/66/57/48/551665748.db2.gz WFNCFARBRLRGPN-QHCPKHFHSA-N 0 0 502.368 5.146 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1 ZINC000001413440 551665783 /nfs/dbraw/zinc/66/57/83/551665783.db2.gz PCBQRDWHZUDGMO-DEOSSOPVSA-N 0 0 517.379 5.457 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413455 551665792 /nfs/dbraw/zinc/66/57/92/551665792.db2.gz WPIFNRKBJPXBCO-AREMUKBSSA-N 0 0 500.526 5.145 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@@H]1c1ccc(O)c(OC)c1)CCCC2 ZINC000001423043 551668778 /nfs/dbraw/zinc/66/87/78/551668778.db2.gz VAYYCQRFUPBYDG-XMMPIXPASA-N 0 0 536.650 5.124 50 30 KKEARN COc1cc(OC)c([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1OC ZINC000001430191 551670002 /nfs/dbraw/zinc/67/00/02/551670002.db2.gz KVJVSGGXHGIXAQ-SFHVURJKSA-N 0 0 506.624 5.442 50 30 KKEARN COc1cc(OC)c([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1OC ZINC000001430190 551670020 /nfs/dbraw/zinc/67/00/20/551670020.db2.gz KVJVSGGXHGIXAQ-GOSISDBHSA-N 0 0 506.624 5.442 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001431251 551670209 /nfs/dbraw/zinc/67/02/09/551670209.db2.gz MQSGDRDGWCIVAE-ACSYHNTCSA-N 0 0 545.657 5.879 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1OC ZINC000001434740 551671006 /nfs/dbraw/zinc/67/10/06/551671006.db2.gz VESXKRDHVXACAZ-BSEYFRJRSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1OC ZINC000001434738 551671056 /nfs/dbraw/zinc/67/10/56/551671056.db2.gz VESXKRDHVXACAZ-SHACYNPGSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1OC ZINC000001434739 551671058 /nfs/dbraw/zinc/67/10/58/551671058.db2.gz VESXKRDHVXACAZ-JBEBIEQOSA-N 0 0 511.441 6.507 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000001437509 551671358 /nfs/dbraw/zinc/67/13/58/551671358.db2.gz DPUDIVIYBCKIIS-SOKVYYICSA-N 0 0 524.539 6.711 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1OC ZINC000001438100 551671658 /nfs/dbraw/zinc/67/16/58/551671658.db2.gz XOJNHXHZFIUWSJ-JMQGSBJISA-N 0 0 549.465 6.845 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001438579 551671986 /nfs/dbraw/zinc/67/19/86/551671986.db2.gz YUOPCKUXXVLCKX-LGGPFLRQSA-N 0 0 545.657 5.879 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001438550 551671990 /nfs/dbraw/zinc/67/19/90/551671990.db2.gz OAKWONMKSKTMMT-LGGPFLRQSA-N 0 0 537.637 6.002 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000001438612 551672243 /nfs/dbraw/zinc/67/22/43/551672243.db2.gz PMNVPRVFYBOFPZ-IIMAJNMQSA-N 0 0 567.663 6.277 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000001438588 551672255 /nfs/dbraw/zinc/67/22/55/551672255.db2.gz UERXGRMPPPNGCU-XHCCPWGMSA-N 0 0 502.567 5.451 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Br)c2)cc(OC)c1OC ZINC000001440260 551672772 /nfs/dbraw/zinc/67/27/72/551672772.db2.gz RDBAZWASENSXKW-CRYYWNKWSA-N 0 0 535.438 6.454 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001439885 551672780 /nfs/dbraw/zinc/67/27/80/551672780.db2.gz BKQSMAZOQTXVLE-JWRCQZCYSA-N 0 0 518.997 6.456 50 30 KKEARN COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1Br ZINC000001440256 551672802 /nfs/dbraw/zinc/67/28/02/551672802.db2.gz HTNKOVCVLBRTBF-YMGMXPECSA-N 0 0 565.464 6.463 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Br)c2)cc(OC)c1OC ZINC000001440259 551672817 /nfs/dbraw/zinc/67/28/17/551672817.db2.gz RDBAZWASENSXKW-SOKVYYICSA-N 0 0 535.438 6.454 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(F)cc4)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000001445496 551673763 /nfs/dbraw/zinc/67/37/63/551673763.db2.gz DUBLUHHVKKGBFQ-WKULSOCRSA-N 0 0 531.638 5.715 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000001449089 551674586 /nfs/dbraw/zinc/67/45/86/551674586.db2.gz MPGAFAGQWVWOAB-JOCHJYFZSA-N 0 0 527.802 5.675 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000001449088 551674589 /nfs/dbraw/zinc/67/45/89/551674589.db2.gz MPGAFAGQWVWOAB-QFIPXVFZSA-N 0 0 527.802 5.675 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450551 551675600 /nfs/dbraw/zinc/67/56/00/551675600.db2.gz OVEAHTVZWIYANL-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001450363 551675673 /nfs/dbraw/zinc/67/56/73/551675673.db2.gz JRXXMSIAYUOAQO-RUZDIDTESA-N 0 0 546.601 5.422 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000001451414 551675956 /nfs/dbraw/zinc/67/59/56/551675956.db2.gz GJSHMAYULYUFJU-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451429 551676014 /nfs/dbraw/zinc/67/60/14/551676014.db2.gz OOPCMSBZBKIBSG-RUZDIDTESA-N 0 0 544.629 5.976 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001451728 551676315 /nfs/dbraw/zinc/67/63/15/551676315.db2.gz YFRFNVAWEQERMG-WVDZOPJMSA-N 0 0 504.970 6.065 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451971 551676341 /nfs/dbraw/zinc/67/63/41/551676341.db2.gz LZRFEJBBNDASBW-RUZDIDTESA-N 0 0 546.601 5.504 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000001458919 551677236 /nfs/dbraw/zinc/67/72/36/551677236.db2.gz CWXZNCVZZWQDDG-JQJBXXCASA-N 0 0 530.624 6.918 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001458960 551677668 /nfs/dbraw/zinc/67/76/68/551677668.db2.gz QEMRRNBETSHQPM-XDCSYDRFSA-N 0 0 560.650 6.927 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(C)ccc2C)cc1OC ZINC000001460719 551678001 /nfs/dbraw/zinc/67/80/01/551678001.db2.gz LQOIMGKVLVDPIQ-QNLPTKCRSA-N 0 0 536.672 6.629 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2C)cc1 ZINC000001460747 551678006 /nfs/dbraw/zinc/67/80/06/551678006.db2.gz FISLJCVSCSURDZ-WKRVVKTRSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccccc2C)cc1 ZINC000001460748 551678236 /nfs/dbraw/zinc/67/82/36/551678236.db2.gz FISLJCVSCSURDZ-UGDMGKLASA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2OC)cc1 ZINC000001460779 551678540 /nfs/dbraw/zinc/67/85/40/551678540.db2.gz ZIUVRWMKOWTJNN-JCOAXYOVSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000001460793 551678579 /nfs/dbraw/zinc/67/85/79/551678579.db2.gz WYLLWLSAMWOFKL-INJOXJOKSA-N 0 0 566.698 6.836 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000001460801 551678585 /nfs/dbraw/zinc/67/85/85/551678585.db2.gz LVSGNFBDCQDLFZ-HEIROHQZSA-N 0 0 567.686 5.779 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2C)cc1OC ZINC000001460964 551678761 /nfs/dbraw/zinc/67/87/61/551678761.db2.gz FZNJMVBEJCGEFK-GTYOFVGBSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000001460969 551678774 /nfs/dbraw/zinc/67/87/74/551678774.db2.gz UCRJHGJVSPHDON-URAOTHONSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001460835 551678786 /nfs/dbraw/zinc/67/87/86/551678786.db2.gz VZRGJHAZDMUFRF-JQJBXXCASA-N 0 0 566.698 6.836 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460984 551679045 /nfs/dbraw/zinc/67/90/45/551679045.db2.gz XHXOHOMMJSDUDH-GOXGLGGOSA-N 0 0 536.672 6.575 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461026 551679202 /nfs/dbraw/zinc/67/92/02/551679202.db2.gz VVUSIEWIPOJDNR-NLGDKJDOSA-N 0 0 536.672 6.575 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000001461078 551679529 /nfs/dbraw/zinc/67/95/29/551679529.db2.gz GHMDXZNDOATLDF-JRPXNJEYSA-N 0 0 540.616 5.418 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000001465319 551679981 /nfs/dbraw/zinc/67/99/81/551679981.db2.gz UNAOBQFNARRPCH-UHFFFAOYSA-N 0 0 519.648 6.247 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001467604 551680120 /nfs/dbraw/zinc/68/01/20/551680120.db2.gz QSNCFUOLNYEMGU-LJAQVGFWSA-N 0 0 520.585 6.360 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000001467634 551680130 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ZINC000002086747 551756427 /nfs/dbraw/zinc/75/64/27/551756427.db2.gz IOQKCIKJRWXJMZ-UHFFFAOYSA-N 0 0 502.437 7.119 50 30 KKEARN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000002089135 551758356 /nfs/dbraw/zinc/75/83/56/551758356.db2.gz OTRLKJWVWWGVPK-UZWMFBFFSA-N 0 0 501.026 7.058 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1 ZINC000002106106 551763935 /nfs/dbraw/zinc/76/39/35/551763935.db2.gz PHMNXYQNYZNWDC-QGZVFWFLSA-N 0 0 519.621 7.060 50 30 KKEARN C=CCn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002106604 551764401 /nfs/dbraw/zinc/76/44/01/551764401.db2.gz QAOXKKJJMRSFHW-UZLBHIALSA-N 0 0 542.126 5.736 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002106641 551764407 /nfs/dbraw/zinc/76/44/07/551764407.db2.gz NCESNKNFDPXSBN-UHFFFAOYSA-N 0 0 546.743 6.552 50 30 KKEARN CCCc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108118 551765133 /nfs/dbraw/zinc/76/51/33/551765133.db2.gz ZAPQYKQVSCVQTF-UHFFFAOYSA-N 0 0 515.682 8.632 50 30 KKEARN CCCCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C#N)c3ccccc3n2)c1 ZINC000002108335 551765733 /nfs/dbraw/zinc/76/57/33/551765733.db2.gz PJTZHJVLWZDCNP-UHFFFAOYSA-N 0 0 517.654 8.242 50 30 KKEARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)c1 ZINC000002108684 551766209 /nfs/dbraw/zinc/76/62/09/551766209.db2.gz CIUFHWNCZRGGPU-SFHVURJKSA-N 0 0 540.714 6.874 50 30 KKEARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)c1 ZINC000002108697 551766276 /nfs/dbraw/zinc/76/62/76/551766276.db2.gz AVTAUKDOWWEJBQ-UHFFFAOYSA-N 0 0 540.714 7.018 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000002111052 551767064 /nfs/dbraw/zinc/76/70/64/551767064.db2.gz XAQNBLGXUKBVBG-NDEPHWFRSA-N 0 0 522.085 7.011 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)s1 ZINC000002111318 551767259 /nfs/dbraw/zinc/76/72/59/551767259.db2.gz PNVIKXNOPUJVDI-SANMLTNESA-N 0 0 514.087 6.764 50 30 KKEARN N#Cc1c(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)sc2c1CCCCCCCCCC2 ZINC000002111613 551767625 /nfs/dbraw/zinc/76/76/25/551767625.db2.gz ZJXTVJKWZNBKJI-UHFFFAOYSA-N 0 0 507.099 8.324 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)cc(OCC)c1OC(C)=O)N(C(C)=O)c1ccccc1-2 ZINC000002113702 551768660 /nfs/dbraw/zinc/76/86/60/551768660.db2.gz NKWHNKNILKVLQQ-XMMPIXPASA-N 0 0 571.453 5.347 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Cl)c1OC)N(C(=O)CC)c1ccccc1-2 ZINC000002122483 551771022 /nfs/dbraw/zinc/77/10/22/551771022.db2.gz MVJQUPMZAJXZHM-JOCHJYFZSA-N 0 0 503.411 5.966 50 30 KKEARN CCOC(=O)Cn1cc(/C=C2/S/C(=N\c3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c2ccccc21 ZINC000002123476 551771259 /nfs/dbraw/zinc/77/12/59/551771259.db2.gz OTYNLZDXPRUDJM-JJUJQQIASA-N 0 0 505.596 5.003 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1OCc1c(F)cccc1Cl ZINC000002137829 551773988 /nfs/dbraw/zinc/77/39/88/551773988.db2.gz OLNHEUXPNZRMPC-WJOKGBTCSA-N 0 0 512.024 8.521 50 30 KKEARN O=C(OCc1ccccc1)c1cnc(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(F)(F)F ZINC000002142925 551775317 /nfs/dbraw/zinc/77/53/17/551775317.db2.gz OBFTXPXAKKLWQD-UHFFFAOYSA-N 0 0 526.380 7.041 50 30 KKEARN N#CC(c1ccccc1)(c1ccccc1)C1(C(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000002145230 551776003 /nfs/dbraw/zinc/77/60/03/551776003.db2.gz SGBKFRBNEAYBFA-UMSFTDKQSA-N 0 0 564.710 7.239 50 30 KKEARN O=C1C=C(c2ccccc2)C2=C(c3ccc(Br)cc3)C=C(c3ccccc3)O[C@]12c1ccccc1 ZINC000002146290 551776407 /nfs/dbraw/zinc/77/64/07/551776407.db2.gz UDQBVLJHTPURTO-JGCGQSQUSA-N 0 0 517.422 7.836 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1c1ccccc1Cl ZINC000002152048 551779012 /nfs/dbraw/zinc/77/90/12/551779012.db2.gz WISMFLDTCDMWBN-XMMPIXPASA-N 0 0 533.853 6.767 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1c1ccccc1Cl ZINC000002152052 551779021 /nfs/dbraw/zinc/77/90/21/551779021.db2.gz WISMFLDTCDMWBN-DEOSSOPVSA-N 0 0 533.853 6.767 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000002152766 551779138 /nfs/dbraw/zinc/77/91/38/551779138.db2.gz QIACYQXKJWAVDE-PIIWDFAUSA-N 0 0 532.562 6.714 50 30 KKEARN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1c(OCc3ccccc3F)ccc3ccccc31)CCCC2 ZINC000002156843 551779924 /nfs/dbraw/zinc/77/99/24/551779924.db2.gz BBXVMQYZULKTDY-OJYCWLPVSA-N 0 0 534.656 8.501 50 30 KKEARN CSc1sc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(Cl)cc2)c1C#N ZINC000002158416 551780122 /nfs/dbraw/zinc/78/01/22/551780122.db2.gz HGDIBJPGDXFDDY-UHFFFAOYSA-N 0 0 520.907 7.952 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000002159344 551780573 /nfs/dbraw/zinc/78/05/73/551780573.db2.gz SOQUIZIOWAHFLF-LICLKQGHSA-N 0 0 527.209 6.152 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C2=C1CC(C)(C)CC2=O ZINC000002168822 551781974 /nfs/dbraw/zinc/78/19/74/551781974.db2.gz KJAOVSYKAJAJBY-UHFFFAOYSA-N 0 0 577.743 6.095 50 30 KKEARN C=CCc1ccccc1OC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)Oc3ccccc3CC=C)cc2)cc1 ZINC000002176665 551783466 /nfs/dbraw/zinc/78/34/66/551783466.db2.gz JDFJSBFEFXGEME-UHFFFAOYSA-N 0 0 538.621 6.415 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000002178386 551784310 /nfs/dbraw/zinc/78/43/10/551784310.db2.gz TXCRGHVLEDJVTC-GONGWJOBSA-N 0 0 542.635 5.623 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c2ccccc21 ZINC000002183957 551786115 /nfs/dbraw/zinc/78/61/15/551786115.db2.gz AULTZEFZAVPABU-GJKZIJEQSA-N 0 0 574.706 5.332 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000002185595 551786597 /nfs/dbraw/zinc/78/65/97/551786597.db2.gz GGNOHMQMFGIIEC-YUDQIZAISA-N 0 0 525.601 5.385 50 30 biogenic KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F ZINC000002186237 551787439 /nfs/dbraw/zinc/78/74/39/551787439.db2.gz FWEOJRZVVLEPFD-YTTGMZPUSA-N 0 0 507.605 7.876 50 30 KKEARN CCOc1c(I)cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188098 551788371 /nfs/dbraw/zinc/78/83/71/551788371.db2.gz QDTDSHKTKOMJBV-SANMLTNESA-N 0 0 553.440 7.161 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000002188125 551788375 /nfs/dbraw/zinc/78/83/75/551788375.db2.gz SDMJLFCCANDCLS-UUNHGKJBSA-N 0 0 509.425 6.589 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000002188213 551788422 /nfs/dbraw/zinc/78/84/22/551788422.db2.gz UUSOUDWOYYDYJP-IPPBACCNSA-N 0 0 564.092 5.935 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002188596 551788520 /nfs/dbraw/zinc/78/85/20/551788520.db2.gz IOLFMQYGQNQAGB-QFIPXVFZSA-N 0 0 530.543 5.400 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1 ZINC000002188654 551788750 /nfs/dbraw/zinc/78/87/50/551788750.db2.gz OOIJCEOLPQCOTP-NRFANRHFSA-N 0 0 531.472 5.500 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1 ZINC000002188626 551788767 /nfs/dbraw/zinc/78/87/67/551788767.db2.gz JNMJVSIKIYLBBM-FQEVSTJZSA-N 0 0 569.443 6.510 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190928 551789713 /nfs/dbraw/zinc/78/97/13/551789713.db2.gz XONFDYSQCBYZTJ-CRICUBBOSA-N 0 0 543.707 5.432 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191794 551790297 /nfs/dbraw/zinc/79/02/97/551790297.db2.gz MFUYVXOITCROGR-JCQPUDPBSA-N 0 0 527.996 5.698 50 30 KKEARN COC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191792 551790328 /nfs/dbraw/zinc/79/03/28/551790328.db2.gz MFUYVXOITCROGR-ZLOXQWCVSA-N 0 0 527.996 5.698 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191810 551790334 /nfs/dbraw/zinc/79/03/34/551790334.db2.gz GZYLNUQQYSCKBY-JBEBIEQOSA-N 0 0 525.568 5.573 50 30 KKEARN COC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191786 551790342 /nfs/dbraw/zinc/79/03/42/551790342.db2.gz BHSHQFHLRUBLPQ-OYLFLEFRSA-N 0 0 523.577 5.053 50 30 KKEARN COc1c(Cl)cc(Cl)cc1/C=N/N1C(=O)c2ccc([N+](=O)[O-])cc2N[C@@H]1c1cc(Cl)cc(Cl)c1OC ZINC000002192752 551791126 /nfs/dbraw/zinc/79/11/26/551791126.db2.gz DSPBPEGWQSYELX-UGZOUUKJSA-N 0 0 570.216 6.826 50 30 KKEARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(Cl)c3N2)cc1 ZINC000002208857 551793599 /nfs/dbraw/zinc/79/35/99/551793599.db2.gz VUDTWVLQTZZCKS-AEFFLSMTSA-N 0 0 519.980 6.570 50 30 KKEARN C=C(C)Cn1c(SCC(=O)[C@@H]2CC(=O)OC23CCCCC3)nc2sc3c(c2c1=O)CCc1ccccc1-3 ZINC000002224515 551796665 /nfs/dbraw/zinc/79/66/65/551796665.db2.gz UJZBNXQCHQAELD-NRFANRHFSA-N 0 0 534.703 5.727 50 30 KKEARN CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1 ZINC000002254817 551802713 /nfs/dbraw/zinc/80/27/13/551802713.db2.gz ANTOBSMQMSJMQC-IPPBACCNSA-N 0 0 507.677 8.032 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nsc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000002268123 551804687 /nfs/dbraw/zinc/80/46/87/551804687.db2.gz TZNZETRZVDYPQC-UHFFFAOYSA-N 0 0 509.465 5.783 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Br)cc3)c3ccccc3n2)cc1 ZINC000002284698 551806685 /nfs/dbraw/zinc/80/66/85/551806685.db2.gz ICGOUXBKQNUFGY-UHFFFAOYSA-N 0 0 544.489 8.217 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccccc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2c1ccccc1 ZINC000002299381 551807701 /nfs/dbraw/zinc/80/77/01/551807701.db2.gz AJNLEPGHDIMHDI-FQLXRVMXSA-N 0 0 521.660 8.092 50 30 KKEARN COc1cc(-c2nc(SCC(=O)c3ccc(Cl)cc3Cl)c(C#N)c3c2CCCC3)cc(OC)c1OC ZINC000002303098 551808436 /nfs/dbraw/zinc/80/84/36/551808436.db2.gz NVIRMKUZQNYDEX-UHFFFAOYSA-N 0 0 543.472 6.807 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1C ZINC000002307205 551808840 /nfs/dbraw/zinc/80/88/40/551808840.db2.gz FQTASWGNIZKFAU-ITYLOYPMSA-N 0 0 515.704 6.946 50 30 KKEARN CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc21 ZINC000002317850 551809229 /nfs/dbraw/zinc/80/92/29/551809229.db2.gz JNWBEVPJUNPNRB-UHFFFAOYSA-N 0 0 505.250 7.554 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001451441 552077930 /nfs/dbraw/zinc/07/79/30/552077930.db2.gz DNHCXLFBTFVMJV-XMMPIXPASA-N 0 0 530.602 5.667 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001451440 552078039 /nfs/dbraw/zinc/07/80/39/552078039.db2.gz DNHCXLFBTFVMJV-DEOSSOPVSA-N 0 0 530.602 5.667 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001451438 552078056 /nfs/dbraw/zinc/07/80/56/552078056.db2.gz JNJURYQFKAQICN-DEOSSOPVSA-N 0 0 528.586 5.437 50 30 KKEARN CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1 ZINC000002261042 552084100 /nfs/dbraw/zinc/08/41/00/552084100.db2.gz HIGHKDRRHQHCJH-LGJNPRDNSA-N 0 0 516.848 5.982 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000002273840 552086057 /nfs/dbraw/zinc/08/60/57/552086057.db2.gz XCBBPKRDTLDPEQ-GOSISDBHSA-N 0 0 519.486 5.479 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CC(C)(C)OC3 ZINC000002274683 552086063 /nfs/dbraw/zinc/08/60/63/552086063.db2.gz QDSFAURYNXKTGD-UHFFFAOYSA-N 0 0 512.701 6.017 50 30 KKEARN COC(=O)c1c(C)[nH]c(/C=N/c2ccc(Oc3ccc(/N=C/c4[nH]c(C)c(C(=O)OC)c4C)cc3)cc2)c1C ZINC000002285870 552087514 /nfs/dbraw/zinc/08/75/14/552087514.db2.gz DRBJGLYYUWWMJT-IHXWQEJPSA-N 0 0 526.593 6.443 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002291824 552088604 /nfs/dbraw/zinc/08/86/04/552088604.db2.gz KHHXNNFQFDPGCJ-UHFFFAOYSA-N 0 0 521.665 7.456 50 30 KKEARN C=C(C)CSc1nnc(OCC)n1C1=C(C(=O)Nc2ccccc2)C2(CCCCC2)Cc2ccccc21 ZINC000002292948 552088916 /nfs/dbraw/zinc/08/89/16/552088916.db2.gz REIPLORJDYQWCN-UHFFFAOYSA-N 0 0 514.695 6.750 50 30 KKEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c2ccccc2c1O ZINC000002314223 552092267 /nfs/dbraw/zinc/09/22/67/552092267.db2.gz LPYCKJYAEXIDOT-WKULSOCRSA-N 0 0 514.379 5.787 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002316184 552092752 /nfs/dbraw/zinc/09/27/52/552092752.db2.gz OHZYLFGITXVFQB-UHFFFAOYSA-N 0 0 515.679 5.984 50 30 KKEARN CCOc1ccc2nc(S[C@@H](Nc3sc4c(c3C#N)CCCC4)c3ccc(Cl)cc3)sc2c1 ZINC000002341266 552098135 /nfs/dbraw/zinc/09/81/35/552098135.db2.gz WYRROJIYDWFLCB-HSZRJFAPSA-N 0 0 512.125 8.063 50 30 KKEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002363217 552103319 /nfs/dbraw/zinc/10/33/19/552103319.db2.gz YMBGZAQXBBXCCU-UHFFFAOYSA-N 0 0 506.497 5.885 50 30 KKEARN C=CCN1C(C(=O)c2ccccc2)=C(OC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O 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546.874 6.431 50 30 KKEARN N#C[C@@H](c1cccc2ccccc21)[C@H](CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000002549043 552129249 /nfs/dbraw/zinc/12/92/49/552129249.db2.gz XYOADJBZBNEWND-IHLOFXLRSA-N 0 0 504.427 8.419 50 30 KKEARN CC(C)(C)c1cc(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000002556954 552129804 /nfs/dbraw/zinc/12/98/04/552129804.db2.gz FYNXDGNCEBQLGC-GTHUDTLPSA-N 0 0 546.840 9.137 50 30 KKEARN C=C(C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000002571998 552130309 /nfs/dbraw/zinc/13/03/09/552130309.db2.gz OFZRSOGEOFHZKS-UHFFFAOYSA-N 0 0 556.668 5.981 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002587427 552131264 /nfs/dbraw/zinc/13/12/64/552131264.db2.gz PKXDDZVSOCETCP-UHFFFAOYSA-N 0 0 557.075 6.882 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 ZINC000002621278 552137914 /nfs/dbraw/zinc/13/79/14/552137914.db2.gz GCNQKWHFGYGOMS-LJQANCHMSA-N 0 0 558.578 5.221 50 30 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CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002727133 552167407 /nfs/dbraw/zinc/16/74/07/552167407.db2.gz VIVPMGSKCXLHME-SIBVEZHUSA-N 0 0 509.986 5.010 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCC ZINC000002727210 552167410 /nfs/dbraw/zinc/16/74/10/552167410.db2.gz UIXKSUSVURFOGQ-MMTVBGGISA-N 0 0 505.611 5.417 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000002727270 552167535 /nfs/dbraw/zinc/16/75/35/552167535.db2.gz WEYCMTSIYXMUJN-SMSORMJASA-N 0 0 527.592 5.818 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000002727271 552167556 /nfs/dbraw/zinc/16/75/56/552167556.db2.gz WEYCMTSIYXMUJN-CHJDUVSTSA-N 0 0 527.592 5.818 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002727264 552167585 /nfs/dbraw/zinc/16/75/85/552167585.db2.gz CTZUGIYTNCDHEG-HRFSGMKKSA-N 0 0 520.050 6.385 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CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002925599 552223243 /nfs/dbraw/zinc/22/32/43/552223243.db2.gz MXISCYOVXLPUPA-CCLHPLFOSA-N 0 0 521.635 5.082 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002925594 552223268 /nfs/dbraw/zinc/22/32/68/552223268.db2.gz MXISCYOVXLPUPA-DCFHFQCYSA-N 0 0 521.635 5.082 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925838 552223931 /nfs/dbraw/zinc/22/39/31/552223931.db2.gz USWBDKKZZPZARV-VVFBEHOQSA-N 0 0 542.075 7.232 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002926291 552224162 /nfs/dbraw/zinc/22/41/62/552224162.db2.gz LMLCYIRKTSXPKP-HHHXNRCGSA-N 0 0 507.652 5.538 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000002926352 552224172 /nfs/dbraw/zinc/22/41/72/552224172.db2.gz JWCPNUPUQPJQTG-CPJSRVTESA-N 0 0 526.496 6.107 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000002927406 552224875 /nfs/dbraw/zinc/22/48/75/552224875.db2.gz NIGBWNJXNMUPDJ-WBBHLRKXSA-N 0 0 539.628 5.688 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000002927416 552225179 /nfs/dbraw/zinc/22/51/79/552225179.db2.gz NIGBWNJXNMUPDJ-DLLPINGYSA-N 0 0 539.628 5.688 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002927716 552225205 /nfs/dbraw/zinc/22/52/05/552225205.db2.gz FNKHDHDZRLJJRX-BVZFJXPGSA-N 0 0 534.867 6.588 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000002928162 552225409 /nfs/dbraw/zinc/22/54/09/552225409.db2.gz WTRIZCBHQDHDGU-ODIGAKIWSA-N 0 0 505.611 5.503 50 30 KKEARN C#Cc1cccc(NC(=O)c2cccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c2)c1 ZINC000002942663 552227996 /nfs/dbraw/zinc/22/79/96/552227996.db2.gz KXJKKXSFIDGBSI-UHFFFAOYSA-N 0 0 503.470 5.421 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000002965874 552236113 /nfs/dbraw/zinc/23/61/13/552236113.db2.gz ZNXZYHGPPFBJDB-DEOSSOPVSA-N 0 0 580.862 6.432 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc5c(c3)OCO5)N4)sc2C1 ZINC000003011296 552258360 /nfs/dbraw/zinc/25/83/60/552258360.db2.gz FVRNQCVDAAIPTB-KFCXZAFISA-N 0 0 571.625 6.609 50 30 KKEARN CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1C#N ZINC000003011293 552258436 /nfs/dbraw/zinc/25/84/36/552258436.db2.gz OQOKEBOQTRKBTD-KXBFYZLASA-N 0 0 503.506 5.328 50 30 KKEARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)c3N2)cc1 ZINC000003012834 552259881 /nfs/dbraw/zinc/25/98/81/552259881.db2.gz RDZSOQQAFHEZKE-FHZYATBESA-N 0 0 541.643 7.188 50 30 KKEARN CCOc1ccc(-n2c(SCC#N)nc3c(sc(=S)n3-c3ccc(Cl)c(C)c3)c2=O)cc1 ZINC000003026678 552266505 /nfs/dbraw/zinc/26/65/05/552266505.db2.gz PDBCWLHWLVYKBK-UHFFFAOYSA-N 0 0 501.058 5.944 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000003041389 552273172 /nfs/dbraw/zinc/27/31/72/552273172.db2.gz SOXPYTFGUVPEFP-UHFFFAOYSA-N 0 0 508.340 6.205 50 30 KKEARN COc1cccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccccc3C)C2=O)c1 ZINC000003042995 552273644 /nfs/dbraw/zinc/27/36/44/552273644.db2.gz XQPWXBSBUNVMIY-QYQHSDTDSA-N 0 0 509.429 5.004 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000003043943 552274590 /nfs/dbraw/zinc/27/45/90/552274590.db2.gz YKCOQNSUPGGTAF-FAJYDZGRSA-N 0 0 551.466 5.172 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(C)cc2)c2ccc(Br)cc21 ZINC000003043980 552274886 /nfs/dbraw/zinc/27/48/86/552274886.db2.gz LIGQZHVIYHOKSR-FAJYDZGRSA-N 0 0 557.901 5.965 50 30 KKEARN Cc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)c1 ZINC000003044089 552274892 /nfs/dbraw/zinc/27/48/92/552274892.db2.gz UOYBNCPPMYJHKS-HFTWOUSFSA-N 0 0 531.838 5.788 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2cc(C)ccc2C)c2ccc(Br)cc21 ZINC000003044194 552275164 /nfs/dbraw/zinc/27/51/64/552275164.db2.gz JLJQYBCSMOVDMW-KRUMMXJUSA-N 0 0 571.928 6.274 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1Cl ZINC000003044161 552275169 /nfs/dbraw/zinc/27/51/69/552275169.db2.gz MBDSNEGFNPTNOL-MEFGMAGPSA-N 0 0 529.847 5.349 50 30 KKEARN COC(=O)c1ccccc1Sc1c(/C=N/OC(=O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1C ZINC000003052493 552278855 /nfs/dbraw/zinc/27/88/55/552278855.db2.gz PWKONLLSLRLQLT-YPXUMCKCSA-N 0 0 532.327 5.874 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=N/NC(=S)Nc2cc(Cl)ccc2Cl)cc1Br ZINC000003078883 552285361 /nfs/dbraw/zinc/28/53/61/552285361.db2.gz SCAQQTCTBXAPOA-LIMNOBDPSA-N 0 0 584.117 5.781 50 30 KKEARN O=C(Nc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1Br ZINC000003082670 552285523 /nfs/dbraw/zinc/28/55/23/552285523.db2.gz YAQOVTQIZGOTRA-UHFFFAOYSA-N 0 0 506.187 6.251 50 30 KKEARN Cc1cccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5cccc(C)c5)cc4)c([N+](=O)[O-])c3)cc2)c1 ZINC000003081547 552285578 /nfs/dbraw/zinc/28/55/78/552285578.db2.gz ZHQCBPNQMAKADG-ZFKGKTMKSA-N 0 0 597.627 8.151 50 30 KKEARN Cc1cccc(/N=C/c2ccc(OC(=O)c3ccccc3C(=O)Oc3ccc(/C=N/c4cccc(C)c4)cc3)cc2)c1 ZINC000003084593 552285855 /nfs/dbraw/zinc/28/58/55/552285855.db2.gz DOVBOLBYGGKPEU-DNJOOXRZSA-N 0 0 552.630 8.243 50 30 KKEARN CCCCCCCCN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003084909 552286101 /nfs/dbraw/zinc/28/61/01/552286101.db2.gz XJIOIFORLCTOKI-URFUVCHWSA-N 0 0 545.315 6.252 50 30 KKEARN C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1)c1ccccc1 ZINC000003094819 552287200 /nfs/dbraw/zinc/28/72/00/552287200.db2.gz DDSYBLSUSYDWJG-JOBSNELWSA-N 0 0 557.482 6.621 50 30 KKEARN C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1)c1ccccc1 ZINC000003094817 552287207 /nfs/dbraw/zinc/28/72/07/552287207.db2.gz DDSYBLSUSYDWJG-HEOQCTJZSA-N 0 0 557.482 6.621 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000003098500 552287677 /nfs/dbraw/zinc/28/76/77/552287677.db2.gz GDJHKJCJHNZPKZ-XYFQYJLHSA-N 0 0 521.657 6.971 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098526 552287962 /nfs/dbraw/zinc/28/79/62/552287962.db2.gz XLNXCJZJONTJBK-WHLCRQNOSA-N 0 0 564.476 6.415 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5Cl)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003113182 552289847 /nfs/dbraw/zinc/28/98/47/552289847.db2.gz BXBHWONGAQNXAK-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1O ZINC000003113563 552289865 /nfs/dbraw/zinc/28/98/65/552289865.db2.gz XGFHRZYQKOJQHS-JQAMDZJQSA-N 0 0 554.597 7.277 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O ZINC000003113573 552289877 /nfs/dbraw/zinc/28/98/77/552289877.db2.gz MHDBREQKWAHABN-JQAMDZJQSA-N 0 0 571.052 7.791 50 30 KKEARN Cc1cc(O)c(/C=N/c2ccc(Cc3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)cc2)c(C)c1Cl ZINC000003113698 552290133 /nfs/dbraw/zinc/29/01/33/552290133.db2.gz ZGLATRIBUYZDPN-HZTAJJRZSA-N 0 0 531.483 8.730 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000003132944 552292757 /nfs/dbraw/zinc/29/27/57/552292757.db2.gz PGBVMMLNKGQETI-RVSCTIAXSA-N 0 0 564.277 7.715 50 30 KKEARN C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003133780 552292970 /nfs/dbraw/zinc/29/29/70/552292970.db2.gz XMHSRGQIODVSJC-UHFFFAOYSA-N 0 0 551.421 6.959 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5cccc(Br)c5)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003143701 552296184 /nfs/dbraw/zinc/29/61/84/552296184.db2.gz HUJOWTBBQHDQAT-RWPZCVJISA-N 0 0 559.332 7.617 50 30 KKEARN O=C(Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000003165112 552297960 /nfs/dbraw/zinc/29/79/60/552297960.db2.gz ONNMKWVCMIKNLC-UHFFFAOYSA-N 0 0 501.445 5.514 50 30 KKEARN Cc1nn(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1Cc1c(F)cccc1Cl ZINC000003170157 552299029 /nfs/dbraw/zinc/29/90/29/552299029.db2.gz PMTPHHAQPBZYOX-UHFFFAOYSA-N 0 0 514.850 6.158 50 30 KKEARN NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 ZINC000003177752 552300142 /nfs/dbraw/zinc/30/01/42/552300142.db2.gz PQBYWKIGLPETLB-UHFFFAOYSA-N 0 0 504.409 6.082 50 30 KKEARN O=C(Nc1cc(F)cc(I)c1)c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000003200848 552304058 /nfs/dbraw/zinc/30/40/58/552304058.db2.gz QWHGHLQXVZIUNX-UHFFFAOYSA-N 0 0 541.201 6.565 50 30 KKEARN N#Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1 ZINC000003211764 552305540 /nfs/dbraw/zinc/30/55/40/552305540.db2.gz WXBKDXPHYJZVAN-UHFFFAOYSA-N 0 0 528.612 6.434 50 30 KKEARN CCOc1cccc(NC(=O)COC(=O)c2cccc(N3CC(=O)C(c4nc(-c5ccc(Cl)cc5)cs4)=C3N)c2)c1 ZINC000003220532 552309816 /nfs/dbraw/zinc/30/98/16/552309816.db2.gz YCHBBQWZOIEWFA-UHFFFAOYSA-N 0 0 589.073 5.374 50 30 KKEARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1=C2SC=C(c3ccccc3)N2CCCC1 ZINC000003236193 552317086 /nfs/dbraw/zinc/31/70/86/552317086.db2.gz NJNKMTLYVXSLAW-UHFFFAOYSA-N 0 0 501.073 5.750 50 30 KKEARN CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000003246374 552320650 /nfs/dbraw/zinc/32/06/50/552320650.db2.gz FZCILGPAXOWBDT-UHFFFAOYSA-N 0 0 521.642 7.051 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003246161 552320697 /nfs/dbraw/zinc/32/06/97/552320697.db2.gz FUZGGSAHRJLOJJ-FQEVSTJZSA-N 0 0 511.757 6.983 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl ZINC000003249397 552321672 /nfs/dbraw/zinc/32/16/72/552321672.db2.gz JWDLOBWDEJZHKV-UHFFFAOYSA-N 0 0 555.933 5.919 50 30 KKEARN N#Cc1c2nc3ccccc3n2c(-c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c2c1CCCC2 ZINC000003261496 552326556 /nfs/dbraw/zinc/32/65/56/552326556.db2.gz DWUQYMMPKWQTFO-UHFFFAOYSA-N 0 0 519.070 6.123 50 30 KKEARN Cc1ccccc1-n1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nnc1-c1ccc(Cl)cc1 ZINC000003262384 552327007 /nfs/dbraw/zinc/32/70/07/552327007.db2.gz UPNWUNVAHURGMX-YZSQISJMSA-N 0 0 515.082 6.869 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)C3=C4SC=C(c5ccccc5)N4CCCC3)c2)C1 ZINC000003265393 552328276 /nfs/dbraw/zinc/32/82/76/552328276.db2.gz NSQFBEZWURSTRK-NHCUHLMSSA-N 0 0 508.709 5.979 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000003269367 552331302 /nfs/dbraw/zinc/33/13/02/552331302.db2.gz MMXJVLMDDHDNGB-UHFFFAOYSA-N 0 0 587.403 6.189 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl ZINC000003273477 552332874 /nfs/dbraw/zinc/33/28/74/552332874.db2.gz GGMVSROAIBYLED-SFHVURJKSA-N 0 0 593.023 5.875 50 30 KKEARN N#Cc1c(N(C(=O)c2cc(F)c(F)cc2Cl)C(=O)c2cc(F)c(F)cc2Cl)oc(-c2ccco2)c1-c1ccco1 ZINC000003276772 552334343 /nfs/dbraw/zinc/33/43/43/552334343.db2.gz JAYUUOQQDMILAF-UHFFFAOYSA-N 0 0 589.284 8.022 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccc(C(C)=O)cc2)ccc1Cl ZINC000003279363 552335353 /nfs/dbraw/zinc/33/53/53/552335353.db2.gz PKWPCZURAQSLIV-UHFFFAOYSA-N 0 0 504.391 5.797 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2sc3c(c2c1=O)CCC3 ZINC000003286681 552337931 /nfs/dbraw/zinc/33/79/31/552337931.db2.gz JTSCTHYEBSHVOI-NSHDSACASA-N 0 0 513.994 5.924 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000003290925 552340757 /nfs/dbraw/zinc/34/07/57/552340757.db2.gz BTEBFDIIUOHBLT-HSZRJFAPSA-N 0 0 522.095 6.567 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1 ZINC000003292661 552341316 /nfs/dbraw/zinc/34/13/16/552341316.db2.gz BODVOFWXSLUIRD-UHFFFAOYSA-N 0 0 551.542 7.205 50 30 KKEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000003293069 552341481 /nfs/dbraw/zinc/34/14/81/552341481.db2.gz OKQKXNMCRYQONS-UHFFFAOYSA-N 0 0 555.949 7.037 50 30 KKEARN Cc1ccc(C)c(-n2c(SCC(=O)N(CCC#N)c3ccccc3)nc3cc(-c4ccccc4)sc3c2=O)c1 ZINC000003304256 552348033 /nfs/dbraw/zinc/34/80/33/552348033.db2.gz IQRGLYAXHMGQSQ-UHFFFAOYSA-N 0 0 550.709 6.770 50 30 KKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2C(F)(F)F)c1C ZINC000003309911 552351110 /nfs/dbraw/zinc/35/11/10/552351110.db2.gz BSZXHCCJPZVHQO-UHFFFAOYSA-N 0 0 531.003 7.186 50 30 KKEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cc(-c4ccc(C)cc4)nc4ccccc43)n2N)c1C ZINC000003315188 552353430 /nfs/dbraw/zinc/35/34/30/552353430.db2.gz WKJIHDAUTQLAQG-UHFFFAOYSA-N 0 0 508.651 5.762 50 30 KKEARN CCCCCCCCn1c(=O)c2c3c(sc2nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2)CCCC3 ZINC000003319831 552355275 /nfs/dbraw/zinc/35/52/75/552355275.db2.gz QWVPGKMJJKCCTI-UHFFFAOYSA-N 0 0 543.711 6.764 50 30 KKEARN C=CCn1c(=O)c2c(nc1S[C@@H](C(=O)c1c[nH]c3ccccc31)c1ccccc1)sc1c2CCCC1 ZINC000003323050 552356020 /nfs/dbraw/zinc/35/60/20/552356020.db2.gz XAIGSMIHPVRINC-AREMUKBSSA-N 0 0 511.672 6.720 50 30 KKEARN N#CC(CC(=O)N1CCc2ccccc21)(CC(=O)N1CCc2ccccc21)c1nc(-c2cc(F)ccc2F)cs1 ZINC000003326689 552357407 /nfs/dbraw/zinc/35/74/07/552357407.db2.gz WQHSWAKSGVTMJF-UHFFFAOYSA-N 0 0 554.622 5.808 50 30 KKEARN C=CCn1c(SCC(=O)c2c3ccccc3n(CC)c2-c2ccccc2)nc2sc(CC)cc2c1=O ZINC000003327890 552357655 /nfs/dbraw/zinc/35/76/55/552357655.db2.gz NNYHFILMWAZOEH-UHFFFAOYSA-N 0 0 513.688 6.823 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1Cl ZINC000003329706 552358839 /nfs/dbraw/zinc/35/88/39/552358839.db2.gz XYJZVPFTLORQMO-UHFFFAOYSA-N 0 0 558.512 7.059 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003344523 552364243 /nfs/dbraw/zinc/36/42/43/552364243.db2.gz GXZBGBDKOCZMCU-UHFFFAOYSA-N 0 0 510.969 6.009 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003350074 552366771 /nfs/dbraw/zinc/36/67/71/552366771.db2.gz OXFDIPLRHFPPNZ-SANMLTNESA-N 0 0 533.436 7.553 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003352857 552367598 /nfs/dbraw/zinc/36/75/98/552367598.db2.gz DMLFJHIQLGRKSM-VWLOTQADSA-N 0 0 514.569 5.894 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003381332 552378218 /nfs/dbraw/zinc/37/82/18/552378218.db2.gz OBGRMKMNQFOFPH-JOCHJYFZSA-N 0 0 533.719 6.192 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\c3ccccc3N(CN(Cc3ccc(F)cc3)C3CCCCC3)C2=O)c(C)c1 ZINC000003587908 552392121 /nfs/dbraw/zinc/39/21/21/552392121.db2.gz JYKCHEMZELWVMS-RIHQVDFKSA-N 0 0 543.712 6.272 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)c1ccccc1Cl ZINC000003625121 552395374 /nfs/dbraw/zinc/39/53/74/552395374.db2.gz XMXJOUMRWXFCMP-SSEXGKCCSA-N 0 0 509.989 7.394 50 30 KKEARN COc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000003626617 552395548 /nfs/dbraw/zinc/39/55/48/552395548.db2.gz ORRTTWFWDJHESJ-AREMUKBSSA-N 0 0 500.517 5.033 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000003643515 552400705 /nfs/dbraw/zinc/40/07/05/552400705.db2.gz HKRSXVGXZWDKHS-HSZRJFAPSA-N 0 0 546.601 5.448 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000003643625 552401158 /nfs/dbraw/zinc/40/11/58/552401158.db2.gz WKRSGGDUVVECQM-JOCHJYFZSA-N 0 0 514.559 5.215 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4c(Cl)cccc4Cl)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000003664644 552408579 /nfs/dbraw/zinc/40/85/79/552408579.db2.gz KRILRFTUFSKSEU-AMVVHIIESA-N 0 0 582.538 6.882 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000003664618 552408583 /nfs/dbraw/zinc/40/85/83/552408583.db2.gz SULFWCIDGXYCCG-OAQYLSRUSA-N 0 0 529.862 6.001 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000003664619 552408601 /nfs/dbraw/zinc/40/86/01/552408601.db2.gz SULFWCIDGXYCCG-NRFANRHFSA-N 0 0 529.862 6.001 50 30 KKEARN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl ZINC000003664933 552408711 /nfs/dbraw/zinc/40/87/11/552408711.db2.gz LKATYXGQENBKTH-CVKDESKCSA-N 0 0 561.490 8.390 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000003666024 552409026 /nfs/dbraw/zinc/40/90/26/552409026.db2.gz XJDVSCJKCPKTAH-QFIPXVFZSA-N 0 0 529.500 6.152 50 30 KKEARN CCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C[C@@H]1C ZINC000003770947 552416312 /nfs/dbraw/zinc/41/63/12/552416312.db2.gz OTQILAZNYHDURK-IADCTJSHSA-N 0 0 513.638 7.469 50 30 KKEARN C=C(C)Cn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000003771700 552416958 /nfs/dbraw/zinc/41/69/58/552416958.db2.gz AVJVVWSNMRLXRV-AREMUKBSSA-N 0 0 575.778 8.090 50 30 KKEARN O=[N+]([O-])c1ccccc1/C=N/c1cc(Cl)ccc1OCCCCOc1ccc(Cl)cc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000004015247 552426459 /nfs/dbraw/zinc/42/64/59/552426459.db2.gz NYWXIMYBTPYOJA-ZXHXELASSA-N 0 0 607.450 8.549 50 30 KKEARN C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(c6cccc(C#C)c6)C7=O)cc5)cc4)cc3C2=O)c1 ZINC000004018649 552429733 /nfs/dbraw/zinc/42/97/33/552429733.db2.gz GPUGVULKDCMSFQ-UHFFFAOYSA-N 0 0 718.765 9.161 50 30 KKEARN Clc1ccccc1COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000004044644 552430579 /nfs/dbraw/zinc/43/05/79/552430579.db2.gz DZHYMEJILOCEHN-ZCTHSVRISA-N 0 0 522.012 7.037 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1 ZINC000004044889 552430595 /nfs/dbraw/zinc/43/05/95/552430595.db2.gz MZWGTDARIBYOMD-WJOKGBTCSA-N 0 0 649.956 8.995 50 30 KKEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1C ZINC000004046030 552430880 /nfs/dbraw/zinc/43/08/80/552430880.db2.gz FGDSEJXEWBORDO-IURWMYGYSA-N 0 0 557.445 7.129 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000004048088 552431419 /nfs/dbraw/zinc/43/14/19/552431419.db2.gz FDIIONJIMGJBCA-NGQVCNFZSA-N 0 0 516.682 6.102 50 30 KKEARN C=CCc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000004047986 552431421 /nfs/dbraw/zinc/43/14/21/552431421.db2.gz OGIYWZKJXLSCGT-MZJWZYIUSA-N 0 0 511.376 5.905 50 30 KKEARN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)nc1 ZINC000004048025 552431436 /nfs/dbraw/zinc/43/14/36/552431436.db2.gz IGAZHINJUBAJLX-KKMKTNMSSA-N 0 0 511.763 6.584 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000004065057 552432152 /nfs/dbraw/zinc/43/21/52/552432152.db2.gz OKXGTSMGTRALDT-XDCSYDRFSA-N 0 0 532.640 7.262 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004065673 552432368 /nfs/dbraw/zinc/43/23/68/552432368.db2.gz OZYKUQUTYANVDW-XJFCNFDWSA-N 0 0 529.677 6.722 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004065522 552432459 /nfs/dbraw/zinc/43/24/59/552432459.db2.gz IZHBWZBKHCKFGO-ODCWNRFASA-N 0 0 525.830 6.796 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067575 552432934 /nfs/dbraw/zinc/43/29/34/552432934.db2.gz SMBAHXCBDFRXKJ-MWTRTKDXSA-N 0 0 512.400 5.088 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000004067541 552432979 /nfs/dbraw/zinc/43/29/79/552432979.db2.gz GQAOCDIPWHYEFI-FKAPRUDGSA-N 0 0 523.629 5.938 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1OC ZINC000004067908 552433187 /nfs/dbraw/zinc/43/31/87/552433187.db2.gz QDQPXRYDOBNTDB-PIKZIKFNSA-N 0 0 505.611 5.416 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000004067944 552433192 /nfs/dbraw/zinc/43/31/92/552433192.db2.gz AABDQTZCKRRKBI-PIKZIKFNSA-N 0 0 524.057 6.308 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000004080887 552433640 /nfs/dbraw/zinc/43/36/40/552433640.db2.gz LOASNIOZBWYJBS-WNSROMTISA-N 0 0 532.640 7.262 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004082025 552433818 /nfs/dbraw/zinc/43/38/18/552433818.db2.gz LUSZUGHWOXRANK-INJOXJOKSA-N 0 0 536.672 7.551 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000004082258 552433828 /nfs/dbraw/zinc/43/38/28/552433828.db2.gz FICSJMLXDXWSGV-VPTFNQTCSA-N 0 0 516.594 5.709 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004082027 552433860 /nfs/dbraw/zinc/43/38/60/552433860.db2.gz LUSZUGHWOXRANK-HPMVVLTCSA-N 0 0 536.672 7.551 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004082339 552433892 /nfs/dbraw/zinc/43/38/92/552433892.db2.gz BSHFYTWAZOXKIQ-LHAPQZOASA-N 0 0 562.666 7.271 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004082346 552433901 /nfs/dbraw/zinc/43/39/01/552433901.db2.gz BSHFYTWAZOXKIQ-YQPGIBNTSA-N 0 0 562.666 7.271 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Br)cc1OC ZINC000004082299 552433904 /nfs/dbraw/zinc/43/39/04/552433904.db2.gz ZXGZRUNIFWRNBD-CRYYWNKWSA-N 0 0 505.412 6.446 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)cc1Br ZINC000004083628 552434139 /nfs/dbraw/zinc/43/41/39/552434139.db2.gz HPQZVNXTBBRLSZ-CRYYWNKWSA-N 0 0 505.412 6.446 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2CCc2ccccc2)cc1 ZINC000004089364 552434638 /nfs/dbraw/zinc/43/46/38/552434638.db2.gz GKOVYOLWJSBSGY-PRSHQZNWSA-N 0 0 515.660 6.080 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc(Br)c2)N(C2CCCCC2)C1=O ZINC000004108316 552437138 /nfs/dbraw/zinc/43/71/38/552437138.db2.gz ZCEQXDKGJGTTJN-KZKDCJJISA-N 0 0 534.932 7.409 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1Cl ZINC000004109105 552437383 /nfs/dbraw/zinc/43/73/83/552437383.db2.gz ONWYGFXISACJFY-AJBULDERSA-N 0 0 550.107 5.929 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cn(Cc3ccc(F)cc3)c3ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000004108728 552437395 /nfs/dbraw/zinc/43/73/95/552437395.db2.gz WRFBAGZQSXHSSS-UBAGAZIWSA-N 0 0 525.583 6.055 50 30 KKEARN O=C1c2ccccc2[C@@H]2S/C(=C\c3cccc(Oc4cccc(C(F)(F)F)c4)c3)C(=O)c3ccsc3CN12 ZINC000004108865 552437430 /nfs/dbraw/zinc/43/74/30/552437430.db2.gz YIWWXCMDPMHLPE-KFQDKBEMSA-N 0 0 549.595 8.184 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4sc(C)nc4c3)N(C3CCCCC3)C1=O)S2 ZINC000004109251 552437674 /nfs/dbraw/zinc/43/76/74/552437674.db2.gz XASXTYNMLXICKA-CNPBBGJZSA-N 0 0 522.721 6.920 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C)c(Cl)c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000004109177 552437708 /nfs/dbraw/zinc/43/77/08/552437708.db2.gz QODUWQVIHATKJD-SMTACHQSSA-N 0 0 510.040 6.541 50 30 KKEARN O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3O)cc2)CC1 ZINC000004109771 552438165 /nfs/dbraw/zinc/43/81/65/552438165.db2.gz JGGASJYZLONROW-BIZUNTBRSA-N 0 0 594.962 7.173 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004112764 552438409 /nfs/dbraw/zinc/43/84/09/552438409.db2.gz WIYVQIUCFPXCLE-GDJIYFAZSA-N 0 0 596.518 6.409 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004119362 552439219 /nfs/dbraw/zinc/43/92/19/552439219.db2.gz ONQYZKPQAAWPMO-FDAWAROLSA-N 0 0 570.525 6.193 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3cccc(C(C)=O)c3)N(c3ccc(O)cc3)C1=O)S2 ZINC000004124795 552441835 /nfs/dbraw/zinc/44/18/35/552441835.db2.gz RCSVZAGIOKYQMW-SCMILFJUSA-N 0 0 503.605 5.782 50 30 KKEARN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000004179484 552446366 /nfs/dbraw/zinc/44/63/66/552446366.db2.gz WCDVEMRVZHFNBB-ZJIVOUCISA-N 0 0 518.595 5.738 50 30 KKEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000004347187 552457480 /nfs/dbraw/zinc/45/74/80/552457480.db2.gz SMKHBWKHCFQKPY-KBVAKVRCSA-N 0 0 570.498 6.563 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000004434114 552461305 /nfs/dbraw/zinc/46/13/05/552461305.db2.gz SRDJFFCEZRFJKF-HKBQPEDESA-N 0 0 568.511 8.499 50 30 KKEARN O=C(/C(=N/Nc1ccc([N+](=O)[O-])cc1)Sc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000004528576 552463183 /nfs/dbraw/zinc/46/31/83/552463183.db2.gz KTEQXHMHJICXAJ-QLYXXIJNSA-N 0 0 524.356 5.808 50 30 KKEARN N#Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C#N)c(C#N)c5)cc4)CCCCC3)cc2)cc1C#N ZINC000004577173 552468447 /nfs/dbraw/zinc/46/84/47/552468447.db2.gz KTMPZZDBUCFOLY-UHFFFAOYSA-N 0 0 520.592 8.008 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1 ZINC000004635185 552469527 /nfs/dbraw/zinc/46/95/27/552469527.db2.gz JOHIMXUWHZIZLY-XMMPIXPASA-N 0 0 535.825 6.405 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004637128 552469846 /nfs/dbraw/zinc/46/98/46/552469846.db2.gz XSXXEPJOUHVKAU-LGGPFLRQSA-N 0 0 513.588 6.031 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000004641148 552470045 /nfs/dbraw/zinc/47/00/45/552470045.db2.gz CBAIXGULIRHKSO-AMDXRBSFSA-N 0 0 557.565 5.428 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000004638898 552470067 /nfs/dbraw/zinc/47/00/67/552470067.db2.gz WLWZBKBVFZVBTJ-YTTGMZPUSA-N 0 0 559.618 6.841 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=CN[C@H]2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000004641142 552470089 /nfs/dbraw/zinc/47/00/89/552470089.db2.gz BIRIHEBCKOWNSO-JWQCQUIFSA-N 0 0 517.994 6.575 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000004649985 552471198 /nfs/dbraw/zinc/47/11/98/552471198.db2.gz MNKZCTOEAJTYIG-PMERELPUSA-N 0 0 537.612 6.734 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[nH]c(SCc3cccc(F)c3)nc1N2 ZINC000004793657 552485577 /nfs/dbraw/zinc/48/55/77/552485577.db2.gz DZHLJNSYYPPRFY-IBGZPJMESA-N 0 0 512.404 5.528 50 30 KKEARN Cc1c(O)cc(C2(c3cc(O)c(C)c(Br)c3)OS(=O)(=O)c3ccccc32)cc1Br ZINC000005225129 552495523 /nfs/dbraw/zinc/49/55/23/552495523.db2.gz BPZRGCCIJYGLJG-UHFFFAOYSA-N 0 0 540.229 5.250 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(NN(Cc2ccccc2)Cc2ccccc2)c1Cc1ccccc1 ZINC000005296150 552496807 /nfs/dbraw/zinc/49/68/07/552496807.db2.gz NBPCZMVLFHEPJJ-UHFFFAOYSA-N 0 0 507.641 7.288 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355821 552499016 /nfs/dbraw/zinc/49/90/16/552499016.db2.gz IKOCUOUMZXEMND-SANMLTNESA-N 0 0 568.651 6.299 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005918568 552511714 /nfs/dbraw/zinc/51/17/14/552511714.db2.gz ZBZNHZLOUCVENJ-WTYVLRPYSA-N 0 0 512.606 5.753 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005918578 552511759 /nfs/dbraw/zinc/51/17/59/552511759.db2.gz WPRQPBXNSUHWCL-UZTOHYMASA-N 0 0 501.579 5.951 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918866 552512050 /nfs/dbraw/zinc/51/20/50/552512050.db2.gz VXJKOMADERUPBC-CLYVBNDRSA-N 0 0 517.578 5.569 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c(N)c(C(=O)Nc3ccccc3C#N)sc2Nc2ccc(C)c(C)c2)cc1 ZINC000005920792 552512739 /nfs/dbraw/zinc/51/27/39/552512739.db2.gz LZBMBMZUNUELEB-AREMUKBSSA-N 0 0 553.644 5.388 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005927747 552513017 /nfs/dbraw/zinc/51/30/17/552513017.db2.gz IZAZXLGIHCTYAB-DEOSSOPVSA-N 0 0 562.688 6.416 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005927651 552513097 /nfs/dbraw/zinc/51/30/97/552513097.db2.gz IZAZXLGIHCTYAB-XMMPIXPASA-N 0 0 562.688 6.416 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000005928515 552513103 /nfs/dbraw/zinc/51/31/03/552513103.db2.gz IPAYMHJCVHENJW-CCLHPLFOSA-N 0 0 529.731 6.818 50 30 KKEARN CCSc1sc(CC)cc1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000005928495 552513126 /nfs/dbraw/zinc/51/31/26/552513126.db2.gz CYQMBEUCQWAYDA-OAQYLSRUSA-N 0 0 532.529 6.187 50 30 KKEARN CCCCCOc1ccc(/N=C2/c3cc(Br)ccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000005946154 552515316 /nfs/dbraw/zinc/51/53/16/552515316.db2.gz DUGWZFSFBSRHGT-OVXWJCGASA-N 0 0 561.524 6.265 50 30 KKEARN CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005946713 552515563 /nfs/dbraw/zinc/51/55/63/552515563.db2.gz LDVRSCVKOXAOLH-NHRFMIRVSA-N 0 0 554.750 8.910 50 30 KKEARN CC(C)Cc1ccc(C#N)c(SCC(=O)c2ccc(C(=O)CSc3nc(CC(C)C)ccc3C#N)cc2)n1 ZINC000006076985 552528233 /nfs/dbraw/zinc/52/82/33/552528233.db2.gz YQPQLQSXGXWKFC-UHFFFAOYSA-N 0 0 542.730 6.567 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000006077211 552528490 /nfs/dbraw/zinc/52/84/90/552528490.db2.gz BNRKTUUVODLIER-WJOKGBTCSA-N 0 0 528.479 9.035 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccccc3)cc(-c3ccc(C)cc3)c1C#N)CCCC2 ZINC000006089535 552532122 /nfs/dbraw/zinc/53/21/22/552532122.db2.gz OFAZZEDVRASIPC-UHFFFAOYSA-N 0 0 567.736 7.444 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)c1 ZINC000006094789 552534199 /nfs/dbraw/zinc/53/41/99/552534199.db2.gz ZYSILPASAUMGDB-JOCHJYFZSA-N 0 0 504.999 5.098 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2C#N)ccc1OCc1ccccc1 ZINC000006136406 552541655 /nfs/dbraw/zinc/54/16/55/552541655.db2.gz UTVXAXRUIIKJKV-UHFFFAOYSA-N 0 0 592.120 8.259 50 30 KKEARN COc1ccc(NCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccccc2)cc1 ZINC000006136719 552542674 /nfs/dbraw/zinc/54/26/74/552542674.db2.gz CHEOFYZJPAQENQ-UHFFFAOYSA-N 0 0 530.679 5.431 50 30 KKEARN CCc1nc2sc3c(c2c(NN=C2c4cc(Br)cc(Br)c4NC2=O)n1)CCCC3 ZINC000006142349 552543593 /nfs/dbraw/zinc/54/35/93/552543593.db2.gz NOBGTZYCCOTBJX-UHFFFAOYSA-N 0 0 535.265 5.426 50 30 KKEARN CN(C)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143584 552545116 /nfs/dbraw/zinc/54/51/16/552545116.db2.gz LCBQWYYDLWGCTM-JOCHJYFZSA-N 0 0 521.086 5.982 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC000006143576 552545158 /nfs/dbraw/zinc/54/51/58/552545158.db2.gz WQFXOEMFZQRKNC-FQEVSTJZSA-N 0 0 522.468 6.025 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC000006143580 552545204 /nfs/dbraw/zinc/54/52/04/552545204.db2.gz YXSFQHHWOSHGMQ-FQEVSTJZSA-N 0 0 567.465 5.934 50 30 KKEARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=NS(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000006144090 552545476 /nfs/dbraw/zinc/54/54/76/552545476.db2.gz XARNNHRXTPVBKA-UHFFFAOYSA-N 0 0 504.633 6.148 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)c2C#N)cc1 ZINC000006157084 552552972 /nfs/dbraw/zinc/55/29/72/552552972.db2.gz DHHBUBSIUKRFGF-UHFFFAOYSA-N 0 0 539.745 7.882 50 30 KKEARN COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000006157238 552553447 /nfs/dbraw/zinc/55/34/47/552553447.db2.gz LJPNAMWTSDYJFH-UHFFFAOYSA-N 0 0 548.669 5.570 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3sc(C)c(C)c3C#N)c2C#N)cc1 ZINC000006177695 552560663 /nfs/dbraw/zinc/56/06/63/552560663.db2.gz NFHYTASMOWRGBW-UHFFFAOYSA-N 0 0 510.644 6.577 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006195134 552566834 /nfs/dbraw/zinc/56/68/34/552566834.db2.gz KLWHLIMWYTUGGC-QHCPKHFHSA-N 0 0 536.378 5.417 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197130 552569289 /nfs/dbraw/zinc/56/92/89/552569289.db2.gz ZUBIOCIZIVCYOL-JRPXNJEYSA-N 0 0 531.649 5.950 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000006197135 552569394 /nfs/dbraw/zinc/56/93/94/552569394.db2.gz DWDQIMUPALQBTA-MMTVBGGISA-N 0 0 506.042 6.586 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(CC)cc1 ZINC000006197656 552569579 /nfs/dbraw/zinc/56/95/79/552569579.db2.gz VHNLWPYJYFKFAC-MUAVYFROSA-N 0 0 535.706 5.924 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CC[C@@H](C)C4)C2=O)cc1 ZINC000006233593 552571890 /nfs/dbraw/zinc/57/18/90/552571890.db2.gz PVFQBWBMNJYGRQ-GIKSKMNSSA-N 0 0 511.603 5.561 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000006246013 552574571 /nfs/dbraw/zinc/57/45/71/552574571.db2.gz QULSTFMPGHTJRN-UHFFFAOYSA-N 0 0 546.095 8.647 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000006246170 552574792 /nfs/dbraw/zinc/57/47/92/552574792.db2.gz HCPWCLVLJFHLJR-NRFANRHFSA-N 0 0 534.084 8.522 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 ZINC000006280509 552576402 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ZINC000006473835 552592004 /nfs/dbraw/zinc/59/20/04/552592004.db2.gz CFHFNTCVDDHXOE-MUFRIFMGSA-N 0 0 516.392 7.372 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 ZINC000006600637 552602655 /nfs/dbraw/zinc/60/26/55/552602655.db2.gz WIYPKXJXYQBHNQ-JFLMPSFJSA-N 0 0 508.441 6.996 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21OC(C)=O ZINC000008195641 552984383 /nfs/dbraw/zinc/98/43/83/552984383.db2.gz PHEDXBVPIONUQT-LQLWEASQSA-N 0 0 616.836 5.753 50 30 in-vitro KKEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(I)c2)C1=O ZINC000008383953 552988008 /nfs/dbraw/zinc/98/80/08/552988008.db2.gz JUQVKJDDHHMTGD-HYARGMPZSA-N 0 0 525.367 5.693 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(Br)cc4)ccc4ccccc43)S/C2=N\c2ccccc2)cc1 ZINC000008384105 552988865 /nfs/dbraw/zinc/98/88/65/552988865.db2.gz HLNAFXGNARICQK-HUTICQRNSA-N 0 0 635.583 8.994 50 30 KKEARN Clc1ccc(-c2csc(N=NCc3ccc(OCc4ccc(Br)cc4)cc3)n2)c(Cl)c1 ZINC000008384746 552989845 /nfs/dbraw/zinc/98/98/45/552989845.db2.gz HGOLBYKMQWAVQC-KKMKTNMSSA-N 0 0 533.278 7.904 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000008384727 552989872 /nfs/dbraw/zinc/98/98/72/552989872.db2.gz LMJILTLFAXYDDC-IPBVOBEMSA-N 0 0 537.255 8.089 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008384943 552990254 /nfs/dbraw/zinc/99/02/54/552990254.db2.gz FQVDARZDDNYCEG-LGJNPRDNSA-N 0 0 508.943 6.046 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Br)cc4)cc3C2=O)cc1 ZINC000008387062 552993300 /nfs/dbraw/zinc/99/33/00/552993300.db2.gz DJCBWZGKLRSJMX-UHFFFAOYSA-N 0 0 620.496 6.807 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000008395876 552994127 /nfs/dbraw/zinc/99/41/27/552994127.db2.gz ZEPWEBJSFSKBKX-STZFKDTASA-N 0 0 527.520 6.135 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000008396005 552994384 /nfs/dbraw/zinc/99/43/84/552994384.db2.gz YXSIVYPOBQCTRY-HYARGMPZSA-N 0 0 549.121 6.123 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000008396212 552994876 /nfs/dbraw/zinc/99/48/76/552994876.db2.gz MUMLFRPUYHMRIA-UHFFFAOYSA-N 0 0 600.756 6.353 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000008396242 552995082 /nfs/dbraw/zinc/99/50/82/552995082.db2.gz IYTYULZCPWMZIL-UCQKPKSFSA-N 0 0 554.451 6.434 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000008396508 552995487 /nfs/dbraw/zinc/99/54/87/552995487.db2.gz YZSCXHFCKDYLNV-UHFFFAOYSA-N 0 0 615.542 6.626 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(OCc3ccccc3)c(OCC)c1)Nc1ccc(Br)cc1-2 ZINC000008397579 552996984 /nfs/dbraw/zinc/99/69/84/552996984.db2.gz IKOVPLGTKQZTQZ-AREMUKBSSA-N 0 0 611.949 7.713 50 30 KKEARN CN1C(=O)/C(=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c2cc(Br)cc(Br)c21 ZINC000008397559 552997123 /nfs/dbraw/zinc/99/71/23/552997123.db2.gz GEKVCJDRFSAUNK-SQFISAMPSA-N 0 0 561.177 5.469 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(N)=O)C1 ZINC000008397978 552998012 /nfs/dbraw/zinc/99/80/12/552998012.db2.gz XALWFDWUMZBETE-QMMMGPOBSA-N 0 0 694.476 8.039 50 30 KKEARN Cc1c(C#N)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)sc1C(=O)OC(C)C ZINC000008398086 552998340 /nfs/dbraw/zinc/99/83/40/552998340.db2.gz KNSTVYADXMXNAP-UHFFFAOYSA-N 0 0 702.602 6.419 50 30 KKEARN CCN1C(=O)/C(=C\C=C2/Sc3c(ccc4ccccc34)N2CC)S/C1=N/c1ccc(/C=C/c2ccccc2)cc1 ZINC000008398979 553000321 /nfs/dbraw/zinc/00/03/21/553000321.db2.gz XNOXXGDDWSXNBR-BUCPOXRFSA-N 0 0 559.760 8.951 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000008399276 553000821 /nfs/dbraw/zinc/00/08/21/553000821.db2.gz BQBQGVKVTFCGDG-LAHYBRFOSA-N 0 0 532.647 6.663 50 30 KKEARN C(=N/c1ccc(C2(c3ccc(/N=C/c4c5ccccc5cc5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1)\c1c2ccccc2cc2ccccc21 ZINC000008399368 553001116 /nfs/dbraw/zinc/00/11/16/553001116.db2.gz AGHWAJIDOSECEZ-SQUPKMBUSA-N 0 0 724.907 14.164 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000008399517 553001307 /nfs/dbraw/zinc/00/13/07/553001307.db2.gz HNGRKTUEGBNKSQ-MOSHPQCFSA-N 0 0 535.430 5.661 50 30 KKEARN COc1ccc(C2Oc3ccccc3[C@H](c3ccccc3C)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000008400010 553003178 /nfs/dbraw/zinc/00/31/78/553003178.db2.gz OJSJJKUNMZYPNI-IGYCOQNPSA-N 0 0 566.570 6.862 50 30 KKEARN CCCCCCCCCCCCCCCCNC(=O)c1ccc(OC)c(I)c1 ZINC000008400075 553003481 /nfs/dbraw/zinc/00/34/81/553003481.db2.gz RHSZIOFGFSOSJB-UHFFFAOYSA-N 0 0 501.493 7.511 50 30 KKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2C(=O)c1ccc(Br)cc1 ZINC000008400220 553004015 /nfs/dbraw/zinc/00/40/15/553004015.db2.gz XJWWYXIAQSAUGR-VWLOTQADSA-N 0 0 508.456 6.771 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000008400411 553004709 /nfs/dbraw/zinc/00/47/09/553004709.db2.gz NKDLLBKEVWTCDN-HPTASCEQSA-N 0 0 528.634 5.453 50 30 KKEARN CCCC[C@@H]1S/C(=N/N=C/c2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000008400513 553004929 /nfs/dbraw/zinc/00/49/29/553004929.db2.gz XWJCFEYDAIPLBZ-AMAFCZHPSA-N 0 0 603.358 5.399 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000008405836 553007186 /nfs/dbraw/zinc/00/71/86/553007186.db2.gz BIAAAJKFTVIRPJ-PUHLOBNQSA-N 0 0 752.295 7.626 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5nc(SCC(=O)NCCc6ccc(OC)c(OC)c6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000008406790 553007435 /nfs/dbraw/zinc/00/74/35/553007435.db2.gz HGVYFQJHPUDYDK-SAEPALGJSA-N 0 0 745.930 8.583 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000008407037 553007661 /nfs/dbraw/zinc/00/76/61/553007661.db2.gz IWNGAEUFKHVUFV-JGCGQSQUSA-N 0 0 637.401 9.806 50 30 KKEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000008407274 553007859 /nfs/dbraw/zinc/00/78/59/553007859.db2.gz VERMKLCVTJWOBP-MYYYXRDXSA-N 0 0 543.714 6.758 50 30 KKEARN Cc1ccccc1OCCOc1cccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000008407647 553008763 /nfs/dbraw/zinc/00/87/63/553008763.db2.gz UHXZXTGHNUACOT-UQRQXUALSA-N 0 0 514.674 5.669 50 30 KKEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1ccccc1OCc1cccc2ccccc21 ZINC000008407783 553009133 /nfs/dbraw/zinc/00/91/33/553009133.db2.gz QORXDCYKURQEFW-GZZLJNBRSA-N 0 0 520.681 6.635 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000008408190 553009606 /nfs/dbraw/zinc/00/96/06/553009606.db2.gz QVXRNWPQGAKLLX-GICNGPLUSA-N 0 0 520.654 7.469 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nc3c4ccccc4nnc3c(-c3ccc(C)cc3)c2C#N)cc1 ZINC000008411790 553009721 /nfs/dbraw/zinc/00/97/21/553009721.db2.gz QYHDNKBTRHFHTC-UHFFFAOYSA-N 0 0 503.587 5.959 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000008412783 553010007 /nfs/dbraw/zinc/01/00/07/553010007.db2.gz HGLWLCVUVCARRF-MUUNZHRXSA-N 0 0 557.090 6.966 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000008413151 553010090 /nfs/dbraw/zinc/01/00/90/553010090.db2.gz AQLIVDQFSQKABK-QFIPXVFZSA-N 0 0 526.431 5.104 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000008414831 553010571 /nfs/dbraw/zinc/01/05/71/553010571.db2.gz BRGWDOLJCWLOIX-XBBWARJSSA-N 0 0 597.033 7.376 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000008415269 553010916 /nfs/dbraw/zinc/01/09/16/553010916.db2.gz PYNGVKRIYXEXBQ-SSEXGKCCSA-N 0 0 558.625 6.795 50 30 KKEARN C[C@@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)c(C#N)cc2C1 ZINC000008415506 553011027 /nfs/dbraw/zinc/01/10/27/553011027.db2.gz DWIZVLMEYOVQGM-OAHLLOKOSA-N 0 0 511.594 7.018 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000008415846 553011383 /nfs/dbraw/zinc/01/13/83/553011383.db2.gz FCVNXKLLACWGMB-NIJXNBFTSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000008416196 553012006 /nfs/dbraw/zinc/01/20/06/553012006.db2.gz XPOFCAYEHKVUCN-GPUOULLFSA-N 0 0 568.464 5.172 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSC3=N/C(=C/c4ccccc4OC)C(=O)N3c3ccccc3)sc2C1 ZINC000008416689 553012266 /nfs/dbraw/zinc/01/22/66/553012266.db2.gz GXSBHYBKIADHKD-XBIXJXDHSA-N 0 0 598.794 7.285 50 30 KKEARN CC(=O)Nc1ccc(N2C(=O)C[C@H](N(C(=O)CSc3nc4c(cc3C#N)C[C@@H](c3ccccc3)CC4)C3CCCCC3)C2=O)cc1 ZINC000008416835 553012504 /nfs/dbraw/zinc/01/25/04/553012504.db2.gz AIJOPWKRHSPWPQ-UKJJDJLKSA-N 0 0 635.790 5.770 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000008426169 553017817 /nfs/dbraw/zinc/01/78/17/553017817.db2.gz WFPHGZLRSWSEQP-IBGZPJMESA-N 0 0 611.237 6.588 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426306 553018095 /nfs/dbraw/zinc/01/80/95/553018095.db2.gz LMYZYUUPRHAROB-YUMBNEEOSA-N 0 0 656.661 9.058 50 30 KKEARN O=C(Nc1ccc(Br)cn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Br)cn1 ZINC000008426949 553019028 /nfs/dbraw/zinc/01/90/28/553019028.db2.gz FZVGWZXPVMREJV-UHFFFAOYSA-N 0 0 700.072 6.391 50 30 KKEARN COc1cc(/C=N/c2ccc(I)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008426921 553019096 /nfs/dbraw/zinc/01/90/96/553019096.db2.gz ZAAYRQMRFBEEFV-WSDLNYQXSA-N 0 0 519.251 5.659 50 30 KKEARN COc1c(I)cc(I)cc1/C=C1\Sc2ccccc2C1=O ZINC000008427471 553019925 /nfs/dbraw/zinc/01/99/25/553019925.db2.gz NJFIIKJWFOIIAP-AUWJEWJLSA-N 0 0 520.129 5.234 50 30 KKEARN O=C(Nc1c2ccccc2nc2ccccc21)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000008427566 553020109 /nfs/dbraw/zinc/02/01/09/553020109.db2.gz XIUJSVPLEWZVDD-HNNXBMFYSA-N 0 0 506.271 6.362 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2cc3c(cc2Br)OCO3)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008427583 553020347 /nfs/dbraw/zinc/02/03/47/553020347.db2.gz HRZUZCZWFTVZTL-JFLMPSFJSA-N 0 0 585.463 5.867 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000008430230 553021041 /nfs/dbraw/zinc/02/10/41/553021041.db2.gz HKPCOORUMHTBPZ-OHZJNBGDSA-N 0 0 579.447 6.183 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc(OC)c1OC ZINC000008430595 553021758 /nfs/dbraw/zinc/02/17/58/553021758.db2.gz UPGIOCQSHQIWEA-KWMCUTETSA-N 0 0 502.636 6.414 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc(OC)c1OC ZINC000008430599 553021790 /nfs/dbraw/zinc/02/17/90/553021790.db2.gz UPGIOCQSHQIWEA-XDBZFTIUSA-N 0 0 502.636 6.414 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccc3ccccc32)[C@@](O)(c2cccc3ccccc32)C[C@H]1c1cccc(Br)c1 ZINC000008431112 553022359 /nfs/dbraw/zinc/02/23/59/553022359.db2.gz SIGNMOLMUMXFTJ-APXVTDHQSA-N 0 0 787.548 10.249 50 30 KKEARN N#C[C@@]1(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000008431105 553022368 /nfs/dbraw/zinc/02/23/68/553022368.db2.gz JHLFSTDSLSFEIA-QHNYCXNNSA-N 0 0 828.350 11.657 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000008431093 553022392 /nfs/dbraw/zinc/02/23/92/553022392.db2.gz GNUAFQNRAAFJAY-OITDHTSDSA-N 0 0 790.763 9.903 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C[C@](O)(c2cccc3ccccc32)[C@H](C(=O)c2cccc3ccccc32)[C@@H]1c1cccc(Br)c1 ZINC000008431115 553022402 /nfs/dbraw/zinc/02/24/02/553022402.db2.gz SIGNMOLMUMXFTJ-BNVBXGMOSA-N 0 0 787.548 10.249 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1OC ZINC000008431391 553022952 /nfs/dbraw/zinc/02/29/52/553022952.db2.gz SRBMYRYQKODLLK-MUUNZHRXSA-N 0 0 561.476 6.923 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000008431453 553023257 /nfs/dbraw/zinc/02/32/57/553023257.db2.gz HEPFGBXKPZXWSO-SANMLTNESA-N 0 0 570.314 8.213 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000008431419 553023268 /nfs/dbraw/zinc/02/32/68/553023268.db2.gz DYNIJFZGHRRVNJ-NIUWJIJESA-N 0 0 674.604 8.812 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccc(I)c1 ZINC000008432102 553025129 /nfs/dbraw/zinc/02/51/29/553025129.db2.gz VJOVNQYQNOQWFB-NDEPHWFRSA-N 0 0 562.451 6.677 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1c(Cl)cccc1Cl ZINC000008432136 553025140 /nfs/dbraw/zinc/02/51/40/553025140.db2.gz YKKXAZLTUJANSV-NDEPHWFRSA-N 0 0 505.445 7.379 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)[nH]c2cc(OC)ccc21 ZINC000008432939 553027688 /nfs/dbraw/zinc/02/76/88/553027688.db2.gz VDBXIXASKBCFQR-UHFFFAOYSA-N 0 0 519.770 9.844 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008433081 553027956 /nfs/dbraw/zinc/02/79/56/553027956.db2.gz OXHAKRSVPWRXSM-ICACTRECSA-N 0 0 587.478 8.356 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000008433408 553028889 /nfs/dbraw/zinc/02/88/89/553028889.db2.gz PWCBETIWLSLQKY-UHFFFAOYSA-N 0 0 503.933 6.588 50 30 KKEARN Clc1ccc(-c2cn3c(-c4ccc(-c5ccccc5)cc4)cn(/N=C/c4ccccc4)c3n2)c(Cl)c1 ZINC000008437363 553031586 /nfs/dbraw/zinc/03/15/86/553031586.db2.gz XQVSBEQTCHAIJK-DPNNOFEESA-N 0 0 507.424 8.326 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)ccc1OCCO ZINC000008437728 553032004 /nfs/dbraw/zinc/03/20/04/553032004.db2.gz WMMQAMSBVKPUSP-UHFFFAOYSA-N 0 0 583.647 6.975 50 30 KKEARN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)OCC(=O)c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000008438109 553032857 /nfs/dbraw/zinc/03/28/57/553032857.db2.gz KLPUTFHFFCZUPT-UHFFFAOYSA-N 0 0 648.594 6.960 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000008440229 553036920 /nfs/dbraw/zinc/03/69/20/553036920.db2.gz JKLLWSGFDNBPBK-FPHQXIGGSA-N 0 0 585.653 5.581 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Br)cc3)c2C#N)cc1 ZINC000008440192 553036975 /nfs/dbraw/zinc/03/69/75/553036975.db2.gz YLJHOISCYDCICJ-UHFFFAOYSA-N 0 0 514.448 7.089 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C(=O)Nc2ncccc2C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000008440651 553038353 /nfs/dbraw/zinc/03/83/53/553038353.db2.gz PSJCXRVRQDZKOC-WVXBCFDCSA-N 0 0 564.089 6.538 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000008440721 553038373 /nfs/dbraw/zinc/03/83/73/553038373.db2.gz BYXSVDKDONZYMY-DFHRPNOPSA-N 0 0 505.611 5.035 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)cc1 ZINC000008441138 553039505 /nfs/dbraw/zinc/03/95/05/553039505.db2.gz OHXCMGOHXJFPDF-UHFFFAOYSA-N 0 0 511.650 8.053 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2C#N)cc1 ZINC000008441171 553039733 /nfs/dbraw/zinc/03/97/33/553039733.db2.gz NCAXRZGFFAQVQF-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008441283 553040415 /nfs/dbraw/zinc/04/04/15/553040415.db2.gz VPUGUBAKOJFZFB-MUUNZHRXSA-N 0 0 543.620 5.876 50 30 KKEARN CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ccccc43)c2C#N)cc1 ZINC000008441369 553040729 /nfs/dbraw/zinc/04/07/29/553040729.db2.gz UMMKAYFULRPRGR-UHFFFAOYSA-N 0 0 527.693 8.469 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000008441512 553040897 /nfs/dbraw/zinc/04/08/97/553040897.db2.gz HQINUQOZNLTDKL-GLKRMMSRSA-N 0 0 555.627 5.355 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ccccc43)c2C#N)cc1OC ZINC000008441468 553040937 /nfs/dbraw/zinc/04/09/37/553040937.db2.gz IOWDYZREFVOJON-UHFFFAOYSA-N 0 0 531.637 7.188 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000008441543 553041119 /nfs/dbraw/zinc/04/11/19/553041119.db2.gz MKWLIXCHQVOOJD-MHZLTWQESA-N 0 0 533.577 5.407 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)nc2c(C)c1 ZINC000008441727 553041802 /nfs/dbraw/zinc/04/18/02/553041802.db2.gz JPFCTPPHBKNVHY-AREMUKBSSA-N 0 0 523.614 6.508 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000008441726 553041863 /nfs/dbraw/zinc/04/18/63/553041863.db2.gz GUBIBNDVVYUOFC-MHZLTWQESA-N 0 0 522.626 7.566 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008441718 553041904 /nfs/dbraw/zinc/04/19/04/553041904.db2.gz JXTGXXXREJJVRE-GDLZYMKVSA-N 0 0 582.678 7.630 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000008441739 553042156 /nfs/dbraw/zinc/04/21/56/553042156.db2.gz NTVDGTHMZSVPPO-MHZLTWQESA-N 0 0 508.058 6.621 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccccc2Br)c(C)cc1C ZINC000008441822 553042475 /nfs/dbraw/zinc/04/24/75/553042475.db2.gz OJHNFDYHVJDJHO-RUZDIDTESA-N 0 0 510.428 5.786 50 30 KKEARN CC(C)(C)c1cc(CN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)/N=C/c2ccccc2)cc(C(C)(C)C)c1O ZINC000008442313 553043321 /nfs/dbraw/zinc/04/33/21/553043321.db2.gz CLJGHUPDEDZOQB-NNLKUIAGSA-N 0 0 556.835 9.324 50 30 KKEARN O=C(CSc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1)Nc1ccccc1C(F)(F)F ZINC000008442438 553043666 /nfs/dbraw/zinc/04/36/66/553043666.db2.gz QPZVMPNAMYABGR-UHFFFAOYSA-N 0 0 780.720 8.120 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(C#N)cc5)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000008443277 553045919 /nfs/dbraw/zinc/04/59/19/553045919.db2.gz SCWOIHLYLHGJAF-ANHNRMLZSA-N 0 0 696.854 6.855 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008443841 553048065 /nfs/dbraw/zinc/04/80/65/553048065.db2.gz MJOGWKGNDZEJNT-SSEXGKCCSA-N 0 0 568.029 7.965 50 30 KKEARN CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008444021 553048878 /nfs/dbraw/zinc/04/88/78/553048878.db2.gz LPDXPSFPULKTTL-WJOKGBTCSA-N 0 0 615.608 6.770 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccccc1OCC ZINC000008444063 553049009 /nfs/dbraw/zinc/04/90/09/553049009.db2.gz OAMRIZUYZGDHNX-YUYWZBKDSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000008444081 553049064 /nfs/dbraw/zinc/04/90/64/553049064.db2.gz IVIVMMAVNODBNU-SBVPHTNJSA-N 0 0 570.733 8.747 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Br)cc3)nc(SCCS(=O)(=O)c3nc4ccccc4s3)c2C#N)cc1 ZINC000008444150 553049312 /nfs/dbraw/zinc/04/93/12/553049312.db2.gz XMTUGNXPPICBQH-UHFFFAOYSA-N 0 0 622.591 7.234 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@@H](c1ccc(Br)s1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000008444593 553050759 /nfs/dbraw/zinc/05/07/59/553050759.db2.gz SCJOHOPCOIZNDW-BXUZGUMPSA-N 0 0 635.329 7.194 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@H](c1ccc(Br)s1)C[C@@H]3C(F)(F)F)CCCC2 ZINC000008444592 553050778 /nfs/dbraw/zinc/05/07/78/553050778.db2.gz SCJOHOPCOIZNDW-SMDDNHRTSA-N 0 0 635.329 7.194 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000008444627 553051036 /nfs/dbraw/zinc/05/10/36/553051036.db2.gz ZOWIBBNFKFROCO-NDEPHWFRSA-N 0 0 500.639 5.998 50 30 KKEARN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000008444924 553052463 /nfs/dbraw/zinc/05/24/63/553052463.db2.gz GLHAPCCVVDZYCS-ABBNRAPFSA-N 0 0 623.569 5.095 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2ccccc2Br)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000008444976 553052742 /nfs/dbraw/zinc/05/27/42/553052742.db2.gz NUXRWDJIGKQJPW-WKULSOCRSA-N 0 0 543.347 6.491 50 30 KKEARN FC(F)(F)COc1nc(N=NCc2cccc(I)c2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000008444974 553052747 /nfs/dbraw/zinc/05/27/47/553052747.db2.gz YXVGZUPKXKWIDD-WKULSOCRSA-N 0 0 590.347 6.333 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccccc3)C2)cc1 ZINC000008445031 553052874 /nfs/dbraw/zinc/05/28/74/553052874.db2.gz TVAGVIVWGNMFHJ-CVYDZTKKSA-N 0 0 542.679 8.080 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1)C(F)(F)F ZINC000008445058 553052931 /nfs/dbraw/zinc/05/29/31/553052931.db2.gz ALUUFLRYCQOAEX-BNHRFMORSA-N 0 0 568.595 7.729 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccccc1 ZINC000008445102 553053140 /nfs/dbraw/zinc/05/31/40/553053140.db2.gz KWCOWRNANSWYIX-QYTMHSNXSA-N 0 0 535.732 8.014 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccccc3)C2)cc1 ZINC000008445078 553053142 /nfs/dbraw/zinc/05/31/42/553053142.db2.gz LHRCAWNUXKIYHG-JADSYQMUSA-N 0 0 541.695 7.747 50 30 KKEARN 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CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)ccc3C)c2C#N)ccc1OCc1ccccc1 ZINC000008445876 553055102 /nfs/dbraw/zinc/05/51/02/553055102.db2.gz DBGGTSYFABPMCO-UHFFFAOYSA-N 0 0 599.756 8.613 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccc(OCC)cc3)cc(-c3ccccc3)c1C#N)CCCC2 ZINC000008445862 553055176 /nfs/dbraw/zinc/05/51/76/553055176.db2.gz DGDRDPIDAOUSHK-UHFFFAOYSA-N 0 0 597.762 7.534 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(OCc4ccccc4)c(OCC)c3)c2C#N)cc1 ZINC000008445963 553055320 /nfs/dbraw/zinc/05/53/20/553055320.db2.gz KDDWKNSRUOOMKF-UHFFFAOYSA-N 0 0 643.765 8.172 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@H]1CCCC[C@H]1[S@@](=O)Cc1ccccc1 ZINC000008448617 553056273 /nfs/dbraw/zinc/05/62/73/553056273.db2.gz LWFZMPQZNNSCAO-OMHBGJSXSA-N 0 0 586.804 7.634 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000008449004 553057010 /nfs/dbraw/zinc/05/70/10/553057010.db2.gz YYKDXYUJFDTCBU-UHFFFAOYSA-N 0 0 681.013 7.664 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 ZINC000008450283 553057923 /nfs/dbraw/zinc/05/79/23/553057923.db2.gz YIVKNYGSDRLGHB-FXZLDBAYSA-N 0 0 640.689 5.896 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccc(F)c(Cl)c1 ZINC000008450301 553057991 /nfs/dbraw/zinc/05/79/91/553057991.db2.gz UWVNKZXFHXWSOB-GZGVDWRWSA-N 0 0 638.139 7.770 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000008450307 553058064 /nfs/dbraw/zinc/05/80/64/553058064.db2.gz SDBLPFQOAJHIBN-SANMLTNESA-N 0 0 518.411 6.019 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000008450357 553058067 /nfs/dbraw/zinc/05/80/67/553058067.db2.gz ZIKUUIBXBYVPHM-SSEXGKCCSA-N 0 0 624.719 7.035 50 30 KKEARN O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000008450478 553058322 /nfs/dbraw/zinc/05/83/22/553058322.db2.gz 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30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000008456853 553075008 /nfs/dbraw/zinc/07/50/08/553075008.db2.gz AWYHUOMJNIXQMH-WJOKGBTCSA-N 0 0 531.656 6.722 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCOC)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000008461799 553075185 /nfs/dbraw/zinc/07/51/85/553075185.db2.gz SXTAUOKIVMTVLI-UHFFFAOYSA-N 0 0 614.783 6.743 50 30 KKEARN Cc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2)c1 ZINC000008461809 553075209 /nfs/dbraw/zinc/07/52/09/553075209.db2.gz NZTIWZOMCOXKPL-UHFFFAOYSA-N 0 0 616.802 7.941 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000008492873 553076062 /nfs/dbraw/zinc/07/60/62/553076062.db2.gz SWCLIVIFOZUGJA-BIZUNTBRSA-N 0 0 558.086 5.912 50 30 KKEARN Clc1cc(Cl)c(OCCOc2ccccc2)c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000008492801 553076065 /nfs/dbraw/zinc/07/60/65/553076065.db2.gz NNSDUGQNDZSWMA-RDRPBHBLSA-N 0 0 542.471 5.283 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000008492902 553076084 /nfs/dbraw/zinc/07/60/84/553076084.db2.gz QGDJLGUQHVKMKH-ZCTHSVRISA-N 0 0 566.106 5.255 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008555912 553077780 /nfs/dbraw/zinc/07/77/80/553077780.db2.gz XYZMOYPUMXDAQW-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN Cc1onc(-c2ccccc2)c1NC(=O)ON(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1 ZINC000008616517 553102411 /nfs/dbraw/zinc/10/24/11/553102411.db2.gz TUJMGYYPEZPYCL-UHFFFAOYSA-N 0 0 549.471 7.854 50 30 KKEARN N=C(NOC(=O)c1cccnc1Oc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008626671 553104161 /nfs/dbraw/zinc/10/41/61/553104161.db2.gz MOICANHFPBOHFN-UHFFFAOYSA-N 0 0 538.438 6.071 50 30 KKEARN C=CCSc1nnc(-c2oc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)n1Cc1ccccc1 ZINC000008636932 553105640 /nfs/dbraw/zinc/10/56/40/553105640.db2.gz MCIHFCKRILEZQU-UHFFFAOYSA-N 0 0 505.603 6.922 50 30 KKEARN CC(C)(C)c1cc(Sc2c(F)c(F)nc(N=NCc3ccc(Cl)cc3Cl)c2F)cc(C(C)(C)C)c1O ZINC000008694224 553119146 /nfs/dbraw/zinc/11/91/46/553119146.db2.gz OKDPMGLAKUTVPW-DPWJMMOYSA-N 0 0 556.481 8.704 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)c1ccccc1 ZINC000008694755 553120618 /nfs/dbraw/zinc/12/06/18/553120618.db2.gz DVZWWTJRUCYLBJ-TWKHWXDSSA-N 0 0 501.550 6.024 50 30 KKEARN COc1ccc2[nH]c(C)c(CCNC(c3ccc(C)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695162 553121168 /nfs/dbraw/zinc/12/11/68/553121168.db2.gz HGQGIFPVSQZBHA-FJSCPDHXSA-N 0 0 584.676 6.641 50 30 KKEARN COc1ccc2[nH]cc(CCNC(c3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695164 553121176 /nfs/dbraw/zinc/12/11/76/553121176.db2.gz LHEPVGRCEIRHSH-WWIWEHRJSA-N 0 0 591.067 6.678 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccc(F)cc1 ZINC000008695492 553121679 /nfs/dbraw/zinc/12/16/79/553121679.db2.gz AYOULWNOWVYGTP-UXHLAJHPSA-N 0 0 527.560 5.028 50 30 KKEARN CCOc1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Br ZINC000008695527 553121946 /nfs/dbraw/zinc/12/19/46/553121946.db2.gz KMLJLBSPVDTSJG-AFUMVMLFSA-N 0 0 561.282 5.585 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000008695579 553122218 /nfs/dbraw/zinc/12/22/18/553122218.db2.gz WBRPLGYKMHLJHB-GEFUHLBYSA-N 0 0 558.631 5.650 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695599 553122280 /nfs/dbraw/zinc/12/22/80/553122280.db2.gz FBDPOSQCOIOTCW-NIYFSFCBSA-N 0 0 510.943 7.111 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccc(Cl)c1 ZINC000008695621 553122421 /nfs/dbraw/zinc/12/24/21/553122421.db2.gz MYNAMKRMYVTVBH-NHRFMIRVSA-N 0 0 559.106 7.838 50 30 KKEARN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)c1C ZINC000008722753 553130214 /nfs/dbraw/zinc/13/02/14/553130214.db2.gz ZPIBHJBJWCKJCO-UDWIEESQSA-N 0 0 500.407 6.079 50 30 KKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2ccc(Cl)cc2Cl)c1Sc1ccc(Cl)cc1 ZINC000008733610 553130407 /nfs/dbraw/zinc/13/04/07/553130407.db2.gz FDMRHYOMCPKWCS-CCVNUDIWSA-N 0 0 502.854 7.749 50 30 KKEARN O=c1[nH]c2c3cc(Br)ccc3[nH]c2c(=O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000008741433 553132888 /nfs/dbraw/zinc/13/28/88/553132888.db2.gz HXGQREQWHLJTNR-XODNFHPESA-N 0 0 512.367 5.231 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)ccc1OCc1ccccc1 ZINC000008741748 553133002 /nfs/dbraw/zinc/13/30/02/553133002.db2.gz XLTTZNKIHISUTL-GDLZYMKVSA-N 0 0 520.633 6.581 50 30 KKEARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008749815 553135204 /nfs/dbraw/zinc/13/52/04/553135204.db2.gz PKMDQELUIHNCIJ-MHZLTWQESA-N 0 0 536.459 7.851 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000008753190 553135384 /nfs/dbraw/zinc/13/53/84/553135384.db2.gz UYXOQQZJTARYLD-OOOSNSGVSA-N 0 0 582.622 8.037 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000008753195 553135397 /nfs/dbraw/zinc/13/53/97/553135397.db2.gz UYXOQQZJTARYLD-UTONBFNKSA-N 0 0 582.622 8.037 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000008753240 553135716 /nfs/dbraw/zinc/13/57/16/553135716.db2.gz JZKNWYQIRMPUSI-SXZDHJFLSA-N 0 0 616.758 8.224 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)c3ccc(-c4ccccc4)cc3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000008758407 553137058 /nfs/dbraw/zinc/13/70/58/553137058.db2.gz AAUVPFNKMUCFPA-UHFFFAOYSA-N 0 0 518.621 5.691 50 30 KKEARN Cc1ccc(/C=C/c2cc(/C=C\c3ccc(C)cc3)c(C#N)c(SCc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000008763277 553137777 /nfs/dbraw/zinc/13/77/77/553137777.db2.gz NNTMQEJLONXGHH-ADDAYVOGSA-N 0 0 514.738 9.501 50 30 KKEARN O=C(/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1)c1ccccc1 ZINC000008765849 553138597 /nfs/dbraw/zinc/13/85/97/553138597.db2.gz OFLJQNMZYKOHQB-YJECAWTJSA-N 0 0 508.353 5.675 50 30 KKEARN COc1cc(C(=O)c2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)/C3=N/c2ccc(F)cc2)cc(OC)c1OC ZINC000008771110 553141328 /nfs/dbraw/zinc/14/13/28/553141328.db2.gz VIHREOQMYZTEPD-WGPBWIAQSA-N 0 0 514.553 5.745 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008779313 553143972 /nfs/dbraw/zinc/14/39/72/553143972.db2.gz SZARSLYGYBUVLZ-HXUWFJFHSA-N 0 0 522.648 5.936 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000008780639 553144206 /nfs/dbraw/zinc/14/42/06/553144206.db2.gz FFADTWNXPGLRJO-KDYSTLNUSA-N 0 0 507.652 5.449 50 30 KKEARN O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000008781030 553144588 /nfs/dbraw/zinc/14/45/88/553144588.db2.gz OUEGJFFVTUUXJJ-YAPKKPNFSA-N 0 0 505.426 8.058 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/C2CCCCC2)=C3Sc2ccc(C)cc2)cc1 ZINC000008781531 553144590 /nfs/dbraw/zinc/14/45/90/553144590.db2.gz KWUSLJCDXTWYMA-XBQJKBNESA-N 0 0 532.753 9.314 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000008809540 553148035 /nfs/dbraw/zinc/14/80/35/553148035.db2.gz BRDGWCKPDXZGFY-UBFVSLLYSA-N 0 0 514.810 6.387 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3cccc(Br)c3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000008809712 553148172 /nfs/dbraw/zinc/14/81/72/553148172.db2.gz ZUVLWCQARMCGPA-CYXNTTPDSA-N 0 0 510.391 5.742 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c[nH]c3ccccc23)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008816778 553152032 /nfs/dbraw/zinc/15/20/32/553152032.db2.gz XFJQFZDJLUIVQA-VFADJPBRSA-N 0 0 508.456 6.170 50 30 KKEARN COc1ccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008836123 553162939 /nfs/dbraw/zinc/16/29/39/553162939.db2.gz YDVCNYMQQODAKU-AREMUKBSSA-N 0 0 505.622 5.021 50 30 KKEARN Cc1ccc(NC(=O)c2c(N)n(/N=C/c3cc(Br)ccc3O)c3nc4ccccc4nc32)cc1 ZINC000008836252 553162968 /nfs/dbraw/zinc/16/29/68/553162968.db2.gz QZIGCWSSRFSGGX-XODNFHPESA-N 0 0 515.371 5.078 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CCC)SC3=NC2=O)cc1OCC ZINC000008836909 553163432 /nfs/dbraw/zinc/16/34/32/553163432.db2.gz JKOKECSQYZOKJM-LWRUFBSLSA-N 0 0 518.639 5.691 50 30 KKEARN CCCCCCOc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(=O)OC)cc2)c1 ZINC000008846522 553166260 /nfs/dbraw/zinc/16/62/60/553166260.db2.gz ZTPYXHMSKICKHL-HHHXNRCGSA-N 0 0 513.590 6.215 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccco2)cc1 ZINC000008846682 553166326 /nfs/dbraw/zinc/16/63/26/553166326.db2.gz YXJBVGKGKIRLFE-DWXRJYCRSA-N 0 0 508.540 7.040 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000008846801 553166584 /nfs/dbraw/zinc/16/65/84/553166584.db2.gz NNWMFSOQZGQOOM-ADXZGYQBSA-N 0 0 530.621 6.099 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000008846800 553166586 /nfs/dbraw/zinc/16/65/86/553166586.db2.gz NNWMFSOQZGQOOM-SONOPUAISA-N 0 0 530.621 6.099 50 30 KKEARN CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000008846806 553166596 /nfs/dbraw/zinc/16/65/96/553166596.db2.gz FHVILIARPGRYJM-KEEVHDRGSA-N 0 0 514.622 6.481 50 30 KKEARN Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)o1 ZINC000008854950 553167121 /nfs/dbraw/zinc/16/71/21/553167121.db2.gz QJXLFHQXFVYATA-IPPBACCNSA-N 0 0 505.361 7.844 50 30 KKEARN C/C=C\Cc1c(C)nc(SCC(=O)Nc2cc(Br)cc(Br)c2)c(C#N)c1C ZINC000008856581 553167577 /nfs/dbraw/zinc/16/75/77/553167577.db2.gz ZIBHYKQYXYJQCC-PLNGDYQASA-N 0 0 509.267 5.945 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)ccc2F)cc1OC ZINC000008856968 553167823 /nfs/dbraw/zinc/16/78/23/553167823.db2.gz JWVOWUVGLKVKNB-RKOGDMNLSA-N 0 0 523.402 6.585 50 30 KKEARN Clc1ccc([C@H]2C[C@@H]2/C(=N/OCc2ccc(Cl)cc2Cl)c2ccc(Br)cc2)cc1 ZINC000008857101 553168085 /nfs/dbraw/zinc/16/80/85/553168085.db2.gz UJSYSSZZJMLTGZ-RFTNNARTSA-N 0 0 509.658 8.134 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1cccc2ccccc21 ZINC000008872039 553171900 /nfs/dbraw/zinc/17/19/00/553171900.db2.gz CCMYAXQJPYFERD-WEMUVCOSSA-N 0 0 535.652 5.671 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3c4ccccc4cc4ccccc43)nc(N3CCCCCC3)n2)cc1 ZINC000008872102 553172196 /nfs/dbraw/zinc/17/21/96/553172196.db2.gz VAYPSQOTXSOMIB-AJBULDERSA-N 0 0 532.608 6.656 50 30 KKEARN Oc1ccc(Br)cc1CN=Nc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000008872082 553172217 /nfs/dbraw/zinc/17/22/17/553172217.db2.gz JQZLFUAAVBUBAB-NUJZUDFISA-N 0 0 559.346 6.197 50 30 KKEARN Clc1ccccc1COc1ccccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008872296 553172895 /nfs/dbraw/zinc/17/28/95/553172895.db2.gz RHHIEPHHFQELIE-VUTHCHCSSA-N 0 0 506.054 5.531 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cccc(I)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872691 553173783 /nfs/dbraw/zinc/17/37/83/553173783.db2.gz QTNUFOHYGRUTTG-VULFUBBASA-N 0 0 580.390 5.934 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)c(OC)c1 ZINC000008872806 553174165 /nfs/dbraw/zinc/17/41/65/553174165.db2.gz ZWKMDVMWHDUHQE-JFLMPSFJSA-N 0 0 514.546 5.347 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(Cl)c([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)cc1 ZINC000008872791 553174174 /nfs/dbraw/zinc/17/41/74/553174174.db2.gz GYALLKFXWWGHRC-ZMOGYAJESA-N 0 0 505.882 5.275 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccccc3I)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872832 553174316 /nfs/dbraw/zinc/17/43/16/553174316.db2.gz PTYQVYFMCKVHFI-VULFUBBASA-N 0 0 580.390 5.934 50 30 KKEARN Cc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3F)nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000008872993 553174620 /nfs/dbraw/zinc/17/46/20/553174620.db2.gz VKFIMCXGTTYXJS-DXJNIWACSA-N 0 0 540.603 5.876 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc4c(c3)OCO4)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008872933 553174656 /nfs/dbraw/zinc/17/46/56/553174656.db2.gz BJHMJDINMGWPRI-ZCTHSVRISA-N 0 0 521.625 5.557 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894106 553177550 /nfs/dbraw/zinc/17/75/50/553177550.db2.gz AUBULNOVCWSDLU-QHCPKHFHSA-N 0 0 504.995 6.304 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008894481 553177681 /nfs/dbraw/zinc/17/76/81/553177681.db2.gz DGVOERJKLHHEIH-SANMLTNESA-N 0 0 510.659 7.248 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894669 553177699 /nfs/dbraw/zinc/17/76/99/553177699.db2.gz INFNDXBSDXKKCV-DEOSSOPVSA-N 0 0 500.576 6.108 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896839 553179126 /nfs/dbraw/zinc/17/91/26/553179126.db2.gz NVIVMTPKUDCKQU-RUZDIDTESA-N 0 0 516.594 6.568 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896834 553179156 /nfs/dbraw/zinc/17/91/56/553179156.db2.gz QAESIRWTKOSRPL-RUZDIDTESA-N 0 0 516.594 6.570 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008898635 553180388 /nfs/dbraw/zinc/18/03/88/553180388.db2.gz LBEQHJZEMBIHFR-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2ccc(C)o2)cc1OC ZINC000008916377 553186606 /nfs/dbraw/zinc/18/66/06/553186606.db2.gz ITTRQCDLHKBKIU-NGOKVRLYSA-N 0 0 525.667 5.653 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc(OCc3ccccc3)c1)N2 ZINC000008916821 553186767 /nfs/dbraw/zinc/18/67/67/553186767.db2.gz PPBBRFOJPVXANM-JGCGQSQUSA-N 0 0 500.598 7.082 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008916513 553186841 /nfs/dbraw/zinc/18/68/41/553186841.db2.gz WLBTWEJSMDEORT-PZGXJGMVSA-N 0 0 520.069 6.976 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000008919991 553188913 /nfs/dbraw/zinc/18/89/13/553188913.db2.gz BUBHWMVQZLNFRF-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934717 553192942 /nfs/dbraw/zinc/19/29/42/553192942.db2.gz SVOJUVUWXSLSNZ-QHCPKHFHSA-N 0 0 504.995 6.304 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008964765 553194755 /nfs/dbraw/zinc/19/47/55/553194755.db2.gz ZOOAIEZLCAMZFL-YKGWIAGDSA-N 0 0 510.590 5.792 50 30 biogenic KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973240 553195134 /nfs/dbraw/zinc/19/51/34/553195134.db2.gz IQYYAVCCXWOSFN-JOCHJYFZSA-N 0 0 501.520 5.304 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973231 553195235 /nfs/dbraw/zinc/19/52/35/553195235.db2.gz WFZTVVFQPCDARS-DEOSSOPVSA-N 0 0 500.576 5.877 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008973693 553195442 /nfs/dbraw/zinc/19/54/42/553195442.db2.gz IEFCUCGTZSAKNK-AREMUKBSSA-N 0 0 512.631 6.910 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973671 553195533 /nfs/dbraw/zinc/19/55/33/553195533.db2.gz DLGIGVFBENQRFI-RUZDIDTESA-N 0 0 512.631 6.694 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008974023 553195769 /nfs/dbraw/zinc/19/57/69/553195769.db2.gz ZXIZBIUANZMFFA-VWLOTQADSA-N 0 0 514.603 6.103 50 30 KKEARN COc1ccc(N2C(=S)N=C(N[C@H](/C=C/c3ccc(Cl)cc3Cl)C(C)(C)C)C23CCCCC3)cc1 ZINC000008985938 553196637 /nfs/dbraw/zinc/19/66/37/553196637.db2.gz CUXQZNKFQPGPQG-AVRDVDJQSA-N 0 0 530.565 7.926 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996973 553197457 /nfs/dbraw/zinc/19/74/57/553197457.db2.gz SSNZNDDPCGYRJJ-DEOSSOPVSA-N 0 0 514.603 5.967 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008997032 553197736 /nfs/dbraw/zinc/19/77/36/553197736.db2.gz BNHAIOBVIIXEPA-XMMPIXPASA-N 0 0 500.576 5.659 50 30 KKEARN C=CCc1ccccc1OCCOc1ccccc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000009008534 553199027 /nfs/dbraw/zinc/19/90/27/553199027.db2.gz COVFCSUPROCHHY-PWHPEOCBSA-N 0 0 500.502 5.054 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000009011984 553199752 /nfs/dbraw/zinc/19/97/52/553199752.db2.gz JRDSMGABDMROBV-UDNBHOFDSA-N 0 0 513.081 8.129 50 30 KKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009019792 553201128 /nfs/dbraw/zinc/20/11/28/553201128.db2.gz JEEOLPCIPRAOGJ-QFIPXVFZSA-N 0 0 511.803 5.951 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009019666 553201144 /nfs/dbraw/zinc/20/11/44/553201144.db2.gz DNLGYNVFPNPVOK-HHHXNRCGSA-N 0 0 516.594 5.308 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000009020136 553201322 /nfs/dbraw/zinc/20/13/22/553201322.db2.gz XRBJJPVEXFKDID-NRUKRWIHSA-N 0 0 520.673 7.303 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)cc1OC ZINC000009020086 553201375 /nfs/dbraw/zinc/20/13/75/553201375.db2.gz HRWDYOIXFQVEIV-NDEPHWFRSA-N 0 0 531.605 5.206 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000009033811 553201733 /nfs/dbraw/zinc/20/17/33/553201733.db2.gz QFTXLRGTPGDWAW-UKPGIYTDSA-N 0 0 512.606 6.023 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041288 553202309 /nfs/dbraw/zinc/20/23/09/553202309.db2.gz LUNVKFSFJAXGBN-HSZRJFAPSA-N 0 0 521.013 7.169 50 30 KKEARN COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000009041813 553202424 /nfs/dbraw/zinc/20/24/24/553202424.db2.gz XEDUAZAMCOWNNS-LJAQVGFWSA-N 0 0 501.026 6.734 50 30 KKEARN CCCOc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)CC)[C@H]2c2ccc(OC)cc2)C1 ZINC000009041879 553202473 /nfs/dbraw/zinc/20/24/73/553202473.db2.gz MJHZXZCGVYCEKR-ICACTRECSA-N 0 0 510.634 6.795 50 30 KKEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000009042837 553202624 /nfs/dbraw/zinc/20/26/24/553202624.db2.gz TUCSUPYHSSTFSX-RDRPBHBLSA-N 0 0 521.021 5.004 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000009043254 553202885 /nfs/dbraw/zinc/20/28/85/553202885.db2.gz NTOKNEWJUPQBJH-HHHXNRCGSA-N 0 0 516.594 5.452 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009045157 553203323 /nfs/dbraw/zinc/20/33/23/553203323.db2.gz RJCJFORACHZHIS-VWLOTQADSA-N 0 0 512.631 6.694 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009046094 553203576 /nfs/dbraw/zinc/20/35/76/553203576.db2.gz GNSNIWHKHPFHOB-HSZRJFAPSA-N 0 0 514.559 5.183 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009046334 553203851 /nfs/dbraw/zinc/20/38/51/553203851.db2.gz KFUXDLPDVXKEPO-SANMLTNESA-N 0 0 526.658 7.084 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009066978 553206433 /nfs/dbraw/zinc/20/64/33/553206433.db2.gz BVBMKQTZNWAUMV-HSZRJFAPSA-N 0 0 505.368 5.187 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000009068795 553206640 /nfs/dbraw/zinc/20/66/40/553206640.db2.gz CRXWJSILSMLNQG-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000009075860 553207548 /nfs/dbraw/zinc/20/75/48/553207548.db2.gz VVSDMPSAVMWLQF-HFJFZZAHSA-N 0 0 511.569 5.586 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009085902 553208070 /nfs/dbraw/zinc/20/80/70/553208070.db2.gz UFCVTXCEJFEMJV-QFIPXVFZSA-N 0 0 506.352 5.409 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009086097 553208269 /nfs/dbraw/zinc/20/82/69/553208269.db2.gz GWRDQZGATBFFGY-RUZDIDTESA-N 0 0 501.539 5.256 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000009108600 553209701 /nfs/dbraw/zinc/20/97/01/553209701.db2.gz HSUBJHJXBSGDKU-FPQJKWOGSA-N 0 0 513.557 6.123 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009124420 553212780 /nfs/dbraw/zinc/21/27/80/553212780.db2.gz BNKTYIZDSIBFQE-XMHCIUCPSA-N 0 0 504.589 5.473 50 30 KKEARN COc1cc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCCCO5)cc2c1OCCO2 ZINC000009129389 553213207 /nfs/dbraw/zinc/21/32/07/553213207.db2.gz PDITTYJHJOVSKB-NRFANRHFSA-N 0 0 515.606 5.267 50 30 biogenic KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009158245 553215096 /nfs/dbraw/zinc/21/50/96/553215096.db2.gz SZHPCYPHLAWEPB-UKPGIYTDSA-N 0 0 512.606 6.023 50 30 KKEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000009160205 553215571 /nfs/dbraw/zinc/21/55/71/553215571.db2.gz YKQYAVQWZGQRBN-VWLOTQADSA-N 0 0 501.583 5.105 50 30 KKEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)c3c(OC)cccc3OC)ccc2C1=O ZINC000009185480 553217194 /nfs/dbraw/zinc/21/71/94/553217194.db2.gz URBAINCGYBVSCA-UUYOSTAYSA-N 0 0 511.324 5.310 50 30 KKEARN Clc1ccccc1/C=N/OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@@H]3c1ccccc1 ZINC000009185292 553217247 /nfs/dbraw/zinc/21/72/47/553217247.db2.gz YJBDRSXBCBBGFE-SPFJJUEISA-N 0 0 517.976 6.768 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2Cc2nc3ccccc3[nH]2)cc1 ZINC000009191670 553218589 /nfs/dbraw/zinc/21/85/89/553218589.db2.gz GVTWCYXIFIPVMM-HKBQPEDESA-N 0 0 504.678 7.677 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009216350 553221695 /nfs/dbraw/zinc/22/16/95/553221695.db2.gz QVJOSDXDTMPICI-XTEPFMGCSA-N 0 0 519.439 7.043 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000009216351 553221743 /nfs/dbraw/zinc/22/17/43/553221743.db2.gz QVJOSDXDTMPICI-XCZPVHLTSA-N 0 0 519.439 7.043 50 30 KKEARN COc1ccc(-n2ncc(C(=O)Nc3ccccc3C#N)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009228041 553222928 /nfs/dbraw/zinc/22/29/28/553222928.db2.gz WMEOBTVXJYXNOE-UHFFFAOYSA-N 0 0 501.587 5.119 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009233593 553224549 /nfs/dbraw/zinc/22/45/49/553224549.db2.gz LZKOTXBCTFNLEP-PMERELPUSA-N 0 0 518.613 6.310 50 30 KKEARN O=c1c2c3c(sc2ncn1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCCC3 ZINC000009234954 553225225 /nfs/dbraw/zinc/22/52/25/553225225.db2.gz LYJWNUUCSHLOMZ-XKJRVUDJSA-N 0 0 514.485 5.938 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)c(OC)c1OC ZINC000009235676 553225434 /nfs/dbraw/zinc/22/54/34/553225434.db2.gz YGNUWULANPAFNX-NRFANRHFSA-N 0 0 513.019 5.272 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009236968 553225820 /nfs/dbraw/zinc/22/58/20/553225820.db2.gz DBVWEXUIMFBCIN-HSZRJFAPSA-N 0 0 516.575 5.413 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009244129 553227115 /nfs/dbraw/zinc/22/71/15/553227115.db2.gz OHFZZTZIMYCSQO-DEOSSOPVSA-N 0 0 516.550 5.606 50 30 KKEARN C=CCn1c(CCC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000009262807 553228706 /nfs/dbraw/zinc/22/87/06/553228706.db2.gz RURYBQBUTQLSMS-UHFFFAOYSA-N 0 0 502.015 5.176 50 30 KKEARN Cc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009264248 553228834 /nfs/dbraw/zinc/22/88/34/553228834.db2.gz MYPYBFFKDKTOND-DFXYEROKSA-N 0 0 524.020 7.848 50 30 KKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264241 553228839 /nfs/dbraw/zinc/22/88/39/553228839.db2.gz YZIKHBBHZKJNKV-AFJIDDCJSA-N 0 0 516.041 7.349 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009271034 553230470 /nfs/dbraw/zinc/23/04/70/553230470.db2.gz CGXPQZSFJASLLF-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000009272465 553231792 /nfs/dbraw/zinc/23/17/92/553231792.db2.gz OSDBUDBDSFLOIH-XMMPIXPASA-N 0 0 506.942 5.099 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000009273044 553231914 /nfs/dbraw/zinc/23/19/14/553231914.db2.gz XWPZPWMCWLMSHF-ZOYWYXQUSA-N 0 0 506.646 7.093 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009272765 553232020 /nfs/dbraw/zinc/23/20/20/553232020.db2.gz FCXJKGMFJYOXCS-MHZLTWQESA-N 0 0 500.595 5.602 50 30 KKEARN CCOC(=O)[C@H](Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O)c1ccccc1 ZINC000009282107 553233825 /nfs/dbraw/zinc/23/38/25/553233825.db2.gz GUDSETWNCIVGQT-CBYYHRJHSA-N 0 0 509.352 5.757 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009282357 553233845 /nfs/dbraw/zinc/23/38/45/553233845.db2.gz QKDJJOSJBTUXET-SANMLTNESA-N 0 0 502.567 5.056 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCCC(C)C ZINC000009290664 553234507 /nfs/dbraw/zinc/23/45/07/553234507.db2.gz OUTUAEUVFBLWMM-MMTVBGGISA-N 0 0 537.653 5.448 50 30 KKEARN O=C(OCC#CCSc1nc2ccccc2n1Cc1ccccc1)c1sc2ccccc2c1Cl ZINC000009290149 553234518 /nfs/dbraw/zinc/23/45/18/553234518.db2.gz PUGYTBQNBSASTE-UHFFFAOYSA-N 0 0 503.048 6.905 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292009 553234822 /nfs/dbraw/zinc/23/48/22/553234822.db2.gz ADUXSDFHCMJVAK-OYLFLEFRSA-N 0 0 517.006 6.364 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292828 553235298 /nfs/dbraw/zinc/23/52/98/553235298.db2.gz PXDNLJQCWHHTAZ-HMILPKGGSA-N 0 0 526.589 5.147 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009302180 553236340 /nfs/dbraw/zinc/23/63/40/553236340.db2.gz JIHDXVZDWZGFEJ-QFIPXVFZSA-N 0 0 504.608 5.843 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009302165 553236377 /nfs/dbraw/zinc/23/63/77/553236377.db2.gz MMYIGFIXUQHBJD-OAQYLSRUSA-N 0 0 504.608 5.709 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009308822 553237710 /nfs/dbraw/zinc/23/77/10/553237710.db2.gz AUPDNFBQXZWBKL-WTYVLRPYSA-N 0 0 537.653 5.593 50 30 KKEARN COC(=O)[C@@]1(Nc2c(Cl)cccc2Cl)C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000009310171 553238718 /nfs/dbraw/zinc/23/87/18/553238718.db2.gz TVEAAGIKLOIAKX-AREMUKBSSA-N 0 0 511.361 5.325 50 30 KKEARN COc1cc(/C=N/NC(=S)NCc2ccccc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C ZINC000009310013 553238751 /nfs/dbraw/zinc/23/87/51/553238751.db2.gz AIFXUZGFSMQMNO-FDAWAROLSA-N 0 0 526.102 6.236 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S2)cc1 ZINC000009311573 553239711 /nfs/dbraw/zinc/23/97/11/553239711.db2.gz RGWIVXUBGYQKMT-UDWIEESQSA-N 0 0 514.357 5.908 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009312241 553240064 /nfs/dbraw/zinc/24/00/64/553240064.db2.gz KRMAJLDWXIILEM-RCRUUEGKSA-N 0 0 525.645 6.256 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009312107 553240095 /nfs/dbraw/zinc/24/00/95/553240095.db2.gz XLOQOPKCXREUEG-ACSYHNTCSA-N 0 0 527.617 5.976 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009312652 553240457 /nfs/dbraw/zinc/24/04/57/553240457.db2.gz WQHBEEBJFSUHEE-PPHZAIPVSA-N 0 0 523.626 5.202 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000009312653 553240519 /nfs/dbraw/zinc/24/05/19/553240519.db2.gz WQHBEEBJFSUHEE-XHCCPWGMSA-N 0 0 523.626 5.202 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000009313168 553240881 /nfs/dbraw/zinc/24/08/81/553240881.db2.gz BYSBFFZPDKSFMB-SVBPBHIXSA-N 0 0 519.428 7.479 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009313046 553240970 /nfs/dbraw/zinc/24/09/70/553240970.db2.gz DKGHHUOLVGCPKQ-ONOMSOESSA-N 0 0 511.618 6.358 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009313030 553241018 /nfs/dbraw/zinc/24/10/18/553241018.db2.gz AIPFDMSNWIOQEH-KCWXNJEJSA-N 0 0 511.618 6.213 50 30 KKEARN CCCOc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)CC ZINC000009327509 553241719 /nfs/dbraw/zinc/24/17/19/553241719.db2.gz FERUFQUYQKNRQF-APYJYERMSA-N 0 0 510.634 6.795 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009328539 553241958 /nfs/dbraw/zinc/24/19/58/553241958.db2.gz XIULONGUYYJSNQ-BZQUYTCOSA-N 0 0 514.578 6.104 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OCCCC)cc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000009334989 553243269 /nfs/dbraw/zinc/24/32/69/553243269.db2.gz UHMLUOLMMPLJDD-URNDWHGUSA-N 0 0 536.716 8.346 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000009348783 553244777 /nfs/dbraw/zinc/24/47/77/553244777.db2.gz OGFOSWQPSAXSLQ-XIFFEERXSA-N 0 0 522.689 7.989 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000009357956 553247248 /nfs/dbraw/zinc/24/72/48/553247248.db2.gz VDNPRBBEBHMMNR-WNSKOXEYSA-N 0 0 502.617 6.081 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358864 553247647 /nfs/dbraw/zinc/24/76/47/553247647.db2.gz MKOUKGYIZSGCJS-HHHXNRCGSA-N 0 0 510.546 5.744 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009359513 553247915 /nfs/dbraw/zinc/24/79/15/553247915.db2.gz OUNRNXBXNXWTEN-NDEPHWFRSA-N 0 0 515.606 6.191 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009361221 553248927 /nfs/dbraw/zinc/24/89/27/553248927.db2.gz ZKTPWNJQONFAGQ-DEOSSOPVSA-N 0 0 514.603 6.022 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000009379658 553251304 /nfs/dbraw/zinc/25/13/04/553251304.db2.gz RHSNZRUMYUYBEK-PPHZAIPVSA-N 0 0 522.523 6.167 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000009379878 553251534 /nfs/dbraw/zinc/25/15/34/553251534.db2.gz UGAONEQDCRZECK-UXCMTWRGSA-N 0 0 536.716 8.263 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009380494 553251698 /nfs/dbraw/zinc/25/16/98/553251698.db2.gz ZYSBYZVBLVWNFN-MUUNZHRXSA-N 0 0 512.650 6.645 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000009380456 553251827 /nfs/dbraw/zinc/25/18/27/553251827.db2.gz RRHDTTDDLBKSSI-RUZDIDTESA-N 0 0 525.432 6.654 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000009414295 553258152 /nfs/dbraw/zinc/25/81/52/553258152.db2.gz WITAMLLUPQRFHI-MUUNZHRXSA-N 0 0 529.589 5.076 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009424253 553258484 /nfs/dbraw/zinc/25/84/84/553258484.db2.gz YGIRHSJUUYIYMF-WINIVTDRSA-N 0 0 501.579 5.806 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000009424599 553258929 /nfs/dbraw/zinc/25/89/29/553258929.db2.gz GZBPLOVFWVSVIA-DEOSSOPVSA-N 0 0 520.379 5.041 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000009425041 553259012 /nfs/dbraw/zinc/25/90/12/553259012.db2.gz FZDSYMVTJPUUJC-MUUNZHRXSA-N 0 0 523.589 5.145 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000009425208 553259335 /nfs/dbraw/zinc/25/93/35/553259335.db2.gz WTKBTVNZDPIQOY-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000009425532 553259543 /nfs/dbraw/zinc/25/95/43/553259543.db2.gz UHRRETDGBREDIJ-FZWCJVCJSA-N 0 0 505.615 5.818 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009427529 553259858 /nfs/dbraw/zinc/25/98/58/553259858.db2.gz COLFFLHIHXVIMJ-PZGXJGMVSA-N 0 0 510.565 5.923 50 30 KKEARN CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1 ZINC000009434622 553263980 /nfs/dbraw/zinc/26/39/80/553263980.db2.gz RHIWNPRNVMZUPY-PMERELPUSA-N 0 0 508.618 6.479 50 30 KKEARN Fc1ccc(CN=Nc2nc(N=NCc3ccc(F)cc3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000009435164 553264110 /nfs/dbraw/zinc/26/41/10/553264110.db2.gz PHNSJADFSCJKJQ-CRDPYYQKSA-N 0 0 520.547 6.512 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009451981 553265994 /nfs/dbraw/zinc/26/59/94/553265994.db2.gz XZJUZLTUJQZCLF-QUGAMOGWSA-N 0 0 503.551 5.179 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000009459244 553266535 /nfs/dbraw/zinc/26/65/35/553266535.db2.gz QLEQAZFNFGMDHB-UHFFFAOYSA-N 0 0 520.098 6.547 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009458903 553266537 /nfs/dbraw/zinc/26/65/37/553266537.db2.gz FSVGKRZZYGNFSX-SANMLTNESA-N 0 0 503.551 5.398 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009458472 553266561 /nfs/dbraw/zinc/26/65/61/553266561.db2.gz WWCFLFGELILSNY-NGOKVRLYSA-N 0 0 512.606 5.608 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009459412 553266674 /nfs/dbraw/zinc/26/66/74/553266674.db2.gz VIGLXVGAUFJBEY-MUUNZHRXSA-N 0 0 513.590 5.805 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000009459477 553266711 /nfs/dbraw/zinc/26/67/11/553266711.db2.gz CEDWHZRMMVNNTQ-IVCQMTBJSA-N 0 0 514.906 6.942 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009460775 553266920 /nfs/dbraw/zinc/26/69/20/553266920.db2.gz FWKUYQGBBILCJA-QHCPKHFHSA-N 0 0 518.978 5.812 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000009460798 553266962 /nfs/dbraw/zinc/26/69/62/553266962.db2.gz ZEMQXHJTSPXASY-PUAOIOHZSA-N 0 0 512.587 5.801 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000009461087 553267280 /nfs/dbraw/zinc/26/72/80/553267280.db2.gz IPZJIBMCMYGHLI-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000009461159 553267352 /nfs/dbraw/zinc/26/73/52/553267352.db2.gz VFCNYVJGKCUCOH-XMMPIXPASA-N 0 0 516.575 5.501 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009461292 553267573 /nfs/dbraw/zinc/26/75/73/553267573.db2.gz UCAFMUBNNVNOCQ-NDEPHWFRSA-N 0 0 509.558 5.954 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009461423 553267594 /nfs/dbraw/zinc/26/75/94/553267594.db2.gz MVKRNUNAEWKDEA-VWLOTQADSA-N 0 0 514.603 6.185 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009463464 553268885 /nfs/dbraw/zinc/26/88/85/553268885.db2.gz RJKIADRWJUQFMZ-SANMLTNESA-N 0 0 516.550 5.097 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009463721 553269103 /nfs/dbraw/zinc/26/91/03/553269103.db2.gz YDMCTSPCXNQGIE-MUUNZHRXSA-N 0 0 527.573 5.200 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009464828 553269534 /nfs/dbraw/zinc/26/95/34/553269534.db2.gz KEFQSGHBHPCFTH-WINIVTDRSA-N 0 0 501.579 5.951 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000009471303 553269941 /nfs/dbraw/zinc/26/99/41/553269941.db2.gz FCNPNBAMKVZKPD-SSOJOUAXSA-N 0 0 518.407 5.594 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009471423 553269957 /nfs/dbraw/zinc/26/99/57/553269957.db2.gz YUZWOKWNMPRATA-WHLCRQNOSA-N 0 0 528.605 5.371 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000009471414 553269989 /nfs/dbraw/zinc/26/99/89/553269989.db2.gz IEDQHOCFQZIYEV-XMMPIXPASA-N 0 0 520.379 5.041 50 30 KKEARN CCOC(=O)[C@@H](Sc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3)c1ccccc1 ZINC000009488369 553273100 /nfs/dbraw/zinc/27/31/00/553273100.db2.gz UOOPVOAJJCDKLH-QHCPKHFHSA-N 0 0 513.623 5.592 50 30 KKEARN CCOc1c(Br)cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009497375 553274760 /nfs/dbraw/zinc/27/47/60/553274760.db2.gz GLXFVJYSZSBWDX-QHCPKHFHSA-N 0 0 531.491 5.473 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000009507076 553275707 /nfs/dbraw/zinc/27/57/07/553275707.db2.gz BFXXGAHJPHISAQ-GDLZYMKVSA-N 0 0 527.617 5.754 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009508050 553275984 /nfs/dbraw/zinc/27/59/84/553275984.db2.gz MIORRSHJLLSFHU-HHHXNRCGSA-N 0 0 501.579 5.197 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009507136 553276018 /nfs/dbraw/zinc/27/60/18/553276018.db2.gz XELXUCRCIVUNQJ-MHZLTWQESA-N 0 0 501.579 5.197 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(C)o2)cc1OC ZINC000009553624 553278471 /nfs/dbraw/zinc/27/84/71/553278471.db2.gz NNBHOEVKDHOCJE-ACSYHNTCSA-N 0 0 505.611 5.843 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5cccc(C)c5)n42)COC(C)(C)C3)cc1 ZINC000009581047 553282056 /nfs/dbraw/zinc/28/20/56/553282056.db2.gz JQHUDYFYCLCAMO-UHFFFAOYSA-N 0 0 512.639 5.544 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2F)cc1OC ZINC000009598303 553284310 /nfs/dbraw/zinc/28/43/10/553284310.db2.gz FAKOAUJQYDRUKZ-IIMAJNMQSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2C)cc1OC ZINC000009598264 553284337 /nfs/dbraw/zinc/28/43/37/553284337.db2.gz DOEGIDHWYOMUEL-GTYOFVGBSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)o2)cc1OC ZINC000009598341 553284521 /nfs/dbraw/zinc/28/45/21/553284521.db2.gz VYPDCCTWWRRWGN-JRPXNJEYSA-N 0 0 512.606 5.914 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cccc(C)c2)cc1OC ZINC000009598336 553284546 /nfs/dbraw/zinc/28/45/46/553284546.db2.gz RAVWFMTUVFNHAO-DLLPINGYSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(O)c2)cc1OC ZINC000009599409 553285498 /nfs/dbraw/zinc/28/54/98/553285498.db2.gz VVLUHOHDBHLQKR-SMSORMJASA-N 0 0 524.617 5.718 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000009600809 553286214 /nfs/dbraw/zinc/28/62/14/553286214.db2.gz XFHJHCYKLAVHCL-RBTNQOKQSA-N 0 0 524.057 6.451 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000009600810 553286227 /nfs/dbraw/zinc/28/62/27/553286227.db2.gz XFHJHCYKLAVHCL-PIKZIKFNSA-N 0 0 524.057 6.451 50 30 KKEARN COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000009635922 553292118 /nfs/dbraw/zinc/29/21/18/553292118.db2.gz UCZITECQZOFINN-QNLPTKCRSA-N 0 0 516.597 6.611 50 30 KKEARN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)S2)cc1 ZINC000009720957 553300869 /nfs/dbraw/zinc/30/08/69/553300869.db2.gz HTWSTAQFCBXYJQ-QQXSKIMKSA-N 0 0 502.039 6.942 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000009731340 553302690 /nfs/dbraw/zinc/30/26/90/553302690.db2.gz PUFNPNSMBVIMBY-UHFFFAOYSA-N 0 0 532.475 5.495 50 30 KKEARN CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000009763308 553303230 /nfs/dbraw/zinc/30/32/30/553303230.db2.gz ZKPKHULUBMSMCO-PMZJYKPSSA-N 0 0 522.454 5.931 50 30 KKEARN Cc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775618 553304335 /nfs/dbraw/zinc/30/43/35/553304335.db2.gz YFDDPUFELNOWGW-UHFFFAOYSA-N 0 0 508.489 8.192 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(F)cc3F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775656 553304465 /nfs/dbraw/zinc/30/44/65/553304465.db2.gz HXSHCGJFCJWCAJ-UHFFFAOYSA-N 0 0 519.588 6.642 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2cccs2)cc1OC ZINC000009805169 553308257 /nfs/dbraw/zinc/30/82/57/553308257.db2.gz YYKIFUNNIZUUGN-PPHZAIPVSA-N 0 0 527.708 5.813 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000009805284 553308626 /nfs/dbraw/zinc/30/86/26/553308626.db2.gz GDOOCSNVPWJKMF-OSPAZUARSA-N 0 0 508.621 7.881 50 30 KKEARN CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000009846424 553311823 /nfs/dbraw/zinc/31/18/23/553311823.db2.gz LRTMYLRYZRXDPZ-GEFJSDSRSA-N 0 0 521.561 5.643 50 30 KKEARN Cc1ccccc1C(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2Cc2ccccc2)cc1 ZINC000009849845 553312396 /nfs/dbraw/zinc/31/23/96/553312396.db2.gz KNXZVYLJHJKFQV-UHFFFAOYSA-N 0 0 515.642 6.718 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000009861184 553314159 /nfs/dbraw/zinc/31/41/59/553314159.db2.gz HBKVNGWKERJZKW-GDLZYMKVSA-N 0 0 509.606 5.584 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009861165 553314162 /nfs/dbraw/zinc/31/41/62/553314162.db2.gz KAKBDBKTLYNWAH-AREMUKBSSA-N 0 0 514.695 6.385 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861200 553314164 /nfs/dbraw/zinc/31/41/64/553314164.db2.gz FZJWBXBCRXTMJT-QFIPXVFZSA-N 0 0 522.468 6.302 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000009861155 553314171 /nfs/dbraw/zinc/31/41/71/553314171.db2.gz HRSULVJKKPZVCK-XMMPIXPASA-N 0 0 509.448 5.297 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982752 553323421 /nfs/dbraw/zinc/32/34/21/553323421.db2.gz ZKPAKYQCHFQRQW-NIYFSFCBSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982790 553323438 /nfs/dbraw/zinc/32/34/38/553323438.db2.gz AYEVZBSKBOIINL-DFBJGRDBSA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009985258 553323582 /nfs/dbraw/zinc/32/35/82/553323582.db2.gz FRPGCMHXGQHEDG-FQRUVTKNSA-N 0 0 515.704 6.482 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009984857 553323587 /nfs/dbraw/zinc/32/35/87/553323587.db2.gz NLHVFWBISXKVCH-RXFWQSSRSA-N 0 0 515.704 6.482 50 30 KKEARN N#Cc1c(SC[C@H](O)CS(=O)(=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009993229 553323760 /nfs/dbraw/zinc/32/37/60/553323760.db2.gz LUSFUUQUMVKZIX-NRFANRHFSA-N 0 0 506.674 5.417 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993828 553324206 /nfs/dbraw/zinc/32/42/06/553324206.db2.gz OBHYGBNXBCAPDA-NDEPHWFRSA-N 0 0 534.697 5.382 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009994086 553324403 /nfs/dbraw/zinc/32/44/03/553324403.db2.gz JWDOKLVGNAXZCM-DEOSSOPVSA-N 0 0 519.395 5.496 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994470 553324906 /nfs/dbraw/zinc/32/49/06/553324906.db2.gz ZZJWAEKOFPZIFP-NDEPHWFRSA-N 0 0 532.681 5.158 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000009994535 553324917 /nfs/dbraw/zinc/32/49/17/553324917.db2.gz PRCZXUPWFWUYGJ-XMMPIXPASA-N 0 0 519.395 5.496 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000010013532 553326105 /nfs/dbraw/zinc/32/61/05/553326105.db2.gz OUYDNSIQNFBBLY-ACSYHNTCSA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013674 553326265 /nfs/dbraw/zinc/32/62/65/553326265.db2.gz FLLKDHJWGLSJQV-JOCHJYFZSA-N 0 0 501.371 5.970 50 30 KKEARN COc1cc(/C=N/c2cccc3c(/N=C/c4ccc(OC(C)=O)c(OC)c4)cccc23)ccc1OC(C)=O ZINC000011565606 553338964 /nfs/dbraw/zinc/33/89/64/553338964.db2.gz NNZSSZGUDGAAHS-LTTYKRRRSA-N 0 0 510.546 6.209 50 30 KKEARN N#CCCN(C(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccccc1 ZINC000012032375 553350207 /nfs/dbraw/zinc/35/02/07/553350207.db2.gz DCZWGYICWCAKCF-SILNSSARSA-N 0 0 514.470 5.377 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000012193720 553353887 /nfs/dbraw/zinc/35/38/87/553353887.db2.gz JZGWQSIZYPBNHV-IAPPQJPRSA-N 0 0 519.439 7.045 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S ZINC000012285464 553356784 /nfs/dbraw/zinc/35/67/84/553356784.db2.gz GCGPNBAYUGBCLC-JWGURIENSA-N 0 0 518.100 6.491 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C(c2ccc(Cl)cc2Cl)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000012340684 553358748 /nfs/dbraw/zinc/35/87/48/553358748.db2.gz YAKVYAAFRMJZGZ-RDGATRHJSA-N 0 0 509.349 5.735 50 30 KKEARN C=CCN1c2ccccc2[C@@]2(C1=O)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccc(F)cc1 ZINC000012343767 553358875 /nfs/dbraw/zinc/35/88/75/553358875.db2.gz APSSKJIIJJYQBA-NDEPHWFRSA-N 0 0 500.913 5.018 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349677 553359106 /nfs/dbraw/zinc/35/91/06/553359106.db2.gz QXDHAUGNBWOYKZ-WKRVVKTRSA-N 0 0 523.654 7.303 50 30 KKEARN C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)C(=O)C=CNc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000012351840 553359156 /nfs/dbraw/zinc/35/91/56/553359156.db2.gz XSADTUWIOPIQIY-CVRFFWAFSA-N 0 0 603.737 9.838 50 30 KKEARN CC(=O)Nc1ccc(/C=N/OCc2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)cc1 ZINC000012351686 553359228 /nfs/dbraw/zinc/35/92/28/553359228.db2.gz BBEPUASFYXDKPS-KBKYJPHKSA-N 0 0 527.366 5.862 50 30 KKEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000012382033 553362216 /nfs/dbraw/zinc/36/22/16/553362216.db2.gz XIDBDSVIDGBNLS-OAQYLSRUSA-N 0 0 524.518 5.439 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000012384442 553362462 /nfs/dbraw/zinc/36/24/62/553362462.db2.gz AHYYSFKYDDKDKW-SANMLTNESA-N 0 0 509.408 7.589 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@@H]2c1cccc(Cl)c1Cl ZINC000012402384 553362813 /nfs/dbraw/zinc/36/28/13/553362813.db2.gz ZWVBMPLXJPNTTQ-QGZVFWFLSA-N 0 0 513.490 7.359 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411745 553363542 /nfs/dbraw/zinc/36/35/42/553363542.db2.gz UCBBGXLXIZIEBX-ONOMSOESSA-N 0 0 529.681 6.734 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411740 553363554 /nfs/dbraw/zinc/36/35/54/553363554.db2.gz DTXWFMNSSCGRDQ-ONOMSOESSA-N 0 0 529.681 6.734 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411737 553363566 /nfs/dbraw/zinc/36/35/66/553363566.db2.gz DTXWFMNSSCGRDQ-KCWXNJEJSA-N 0 0 529.681 6.734 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411766 553363811 /nfs/dbraw/zinc/36/38/11/553363811.db2.gz TWTXFFLXJGPVMW-WINIVTDRSA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000012412418 553363899 /nfs/dbraw/zinc/36/38/99/553363899.db2.gz UXLSLYMLEORURQ-QFIPXVFZSA-N 0 0 507.612 5.297 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000012416361 553364894 /nfs/dbraw/zinc/36/48/94/553364894.db2.gz SUJSHHAROWEXNE-MRDQGFSESA-N 0 0 518.610 5.905 50 30 KKEARN FC(F)(F)c1cccc(/C=N/N2c3nonc3N(/N=C/c3cccc(C(F)(F)F)c3)c3nonc32)c1 ZINC000012428669 553366038 /nfs/dbraw/zinc/36/60/38/553366038.db2.gz TXVQKSBIOROZQW-YEBYOEETSA-N 0 0 508.342 5.148 50 30 KKEARN Cc1ccccc1C(=O)N[C@@]1(C(F)(F)F)C(=O)N(c2ccc(F)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000012463031 553367296 /nfs/dbraw/zinc/36/72/96/553367296.db2.gz LXWZWLBMXGTRMP-XMMPIXPASA-N 0 0 508.899 5.508 50 30 KKEARN Cc1cccc(OP(=O)(N=NCc2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C ZINC000012462921 553367299 /nfs/dbraw/zinc/36/72/99/553367299.db2.gz WEGOCNUQJFBTMP-AFUMVMLFSA-N 0 0 503.333 6.578 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000012470037 553368236 /nfs/dbraw/zinc/36/82/36/553368236.db2.gz HKKDHEFOFWRKJL-FRDMNLSBSA-N 0 0 517.607 5.201 50 30 KKEARN COc1cc(OC)cc(-c2cc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(C#N)c3nc4ccccc4n32)c1 ZINC000012566403 553397114 /nfs/dbraw/zinc/39/71/14/553397114.db2.gz NEOIWJVKMXJFCZ-VQHVLOKHSA-N 0 0 510.937 6.775 50 30 KKEARN Cc1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C#N)c1C ZINC000012625154 553404903 /nfs/dbraw/zinc/40/49/03/553404903.db2.gz WDDJDXYURHRWKN-CQSZACIVSA-N 0 0 520.705 5.853 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000012628503 553405265 /nfs/dbraw/zinc/40/52/65/553405265.db2.gz USEJAPALKFDGRX-OJEZVBBGSA-N 0 0 519.623 5.263 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652410 553410038 /nfs/dbraw/zinc/41/00/38/553410038.db2.gz DBOUWILPLQGQAT-ADSBAMQRSA-N 0 0 510.615 6.493 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000012652380 553410068 /nfs/dbraw/zinc/41/00/68/553410068.db2.gz CPOJYNXPCLRADE-WKRVVKTRSA-N 0 0 504.586 6.811 50 30 KKEARN C=CCN(C(=O)CSc1nc2ccccc2s1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000012658734 553411367 /nfs/dbraw/zinc/41/13/67/553411367.db2.gz XJBPKKCXJYZEJB-UHFFFAOYSA-N 0 0 505.734 7.779 50 30 KKEARN COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2N1 ZINC000012845615 553421734 /nfs/dbraw/zinc/42/17/34/553421734.db2.gz PPCZDQMMNHULRJ-FXAWDEMLSA-N 0 0 501.534 5.616 50 30 KKEARN COC(=O)[C@@H](/C=N/OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000012950237 553428352 /nfs/dbraw/zinc/42/83/52/553428352.db2.gz VDHFJOHWHWOIQY-GVUXBKJJSA-N 0 0 546.889 6.065 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3ccc(C)cc3)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000012954468 553429178 /nfs/dbraw/zinc/42/91/78/553429178.db2.gz MYTXNJNLLOQPJX-FNTLCPBMSA-N 0 0 589.160 9.707 50 30 KKEARN N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)[C@@H](/C=N/OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012956104 553429570 /nfs/dbraw/zinc/42/95/70/553429570.db2.gz ZDFZGKTZDOPCCK-DCZROODJSA-N 0 0 562.784 6.650 50 30 KKEARN O=C(Nc1ccc(Cl)cc1Cl)C(/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000012956371 553429731 /nfs/dbraw/zinc/42/97/31/553429731.db2.gz CJROYKWMGIWWQW-WXMAUWIXSA-N 0 0 594.109 8.003 50 30 KKEARN O=C1C(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000012956698 553429760 /nfs/dbraw/zinc/42/97/60/553429760.db2.gz DSDRIVACGFHZMB-HNSNBQBZSA-N 0 0 566.716 8.047 50 30 KKEARN O=C(C=CNc1ccc(I)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000012957068 553429885 /nfs/dbraw/zinc/42/98/85/553429885.db2.gz RQDWSCWQBMBCSW-ZHACJKMWSA-N 0 0 524.185 6.986 50 30 KKEARN O=C(O/N=C(\c1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000012957223 553429897 /nfs/dbraw/zinc/42/98/97/553429897.db2.gz KCPGAKMODQGNHH-IHQJKADXSA-N 0 0 513.635 8.318 50 30 KKEARN O=C1c2ccccc2[C@H](/C=N\OCc2ccc(Cl)cc2Cl)C(=O)N1OCc1ccc(Cl)cc1Cl ZINC000012960992 553430762 /nfs/dbraw/zinc/43/07/62/553430762.db2.gz LSPGUBYGJYQTPN-RBJMOZFNSA-N 0 0 538.214 6.701 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccs2)cc1OC ZINC000013081116 553445093 /nfs/dbraw/zinc/44/50/93/553445093.db2.gz IELDSQJFOKRGPB-WRONEBCDSA-N 0 0 514.647 6.074 50 30 KKEARN C=CCN(C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013098627 553447277 /nfs/dbraw/zinc/44/72/77/553447277.db2.gz DMNNSXNWWDNBKK-XMMPIXPASA-N 0 0 502.039 6.544 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ccccc43)N(c3ccc(C)cc3)C1=O)S2 ZINC000013285764 553457525 /nfs/dbraw/zinc/45/75/25/553457525.db2.gz NKRHUWZWZANFIN-GROPNIIDSA-N 0 0 509.656 7.336 50 30 KKEARN CC(=O)c1cccc(N=C2S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2cccc(C)c2)c1 ZINC000013286120 553457783 /nfs/dbraw/zinc/45/77/83/553457783.db2.gz SYBOEVLPYUKBEZ-CNPBBGJZSA-N 0 0 506.052 7.030 50 30 KKEARN O=C(N/C(=N/c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000013302371 553457862 /nfs/dbraw/zinc/45/78/62/553457862.db2.gz ZFZKUSPVYWNJNH-UHFFFAOYSA-N 0 0 504.204 6.994 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000013548375 553469997 /nfs/dbraw/zinc/46/99/97/553469997.db2.gz YYBRSMMUHYXKRF-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000013549851 553470190 /nfs/dbraw/zinc/47/01/90/553470190.db2.gz QZIDPBQOHIFTGB-GDLZYMKVSA-N 0 0 527.661 6.486 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000013570117 553473618 /nfs/dbraw/zinc/47/36/18/553473618.db2.gz KQKKUAMJLZTHJX-HHHXNRCGSA-N 0 0 509.562 5.353 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000013571446 553473892 /nfs/dbraw/zinc/47/38/92/553473892.db2.gz GCNKRBBKCOVZIH-MHZLTWQESA-N 0 0 526.658 7.164 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013570835 553473914 /nfs/dbraw/zinc/47/39/14/553473914.db2.gz GPQKBGHVUVIGRS-VWLOTQADSA-N 0 0 514.603 6.049 50 30 KKEARN CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c3cc2C1 ZINC000013574622 553474699 /nfs/dbraw/zinc/47/46/99/553474699.db2.gz VBORYQHCSRGDFX-BPOBUFBUSA-N 0 0 515.704 7.239 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(Sc3ncccc3[N+](=O)[O-])c2C#N)cc(OC)c1OC ZINC000013575920 553474849 /nfs/dbraw/zinc/47/48/49/553474849.db2.gz AQISPOUYBLZRFB-UHFFFAOYSA-N 0 0 500.536 5.767 50 30 KKEARN N#Cc1c(=N)n2c(cc1-c1ccc(-c3ccc(Cl)c(Cl)c3)o1)-c1cc3c(cc1CC2)OCCCO3 ZINC000013576585 553475067 /nfs/dbraw/zinc/47/50/67/553475067.db2.gz PWSFJXLFCZPCCY-UHFFFAOYSA-N 0 0 504.373 6.457 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000013662042 553480928 /nfs/dbraw/zinc/48/09/28/553480928.db2.gz MQKYTSIRVHTJEH-IOYDYCAWSA-N 0 0 524.042 5.908 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000013661835 553480929 /nfs/dbraw/zinc/48/09/29/553480929.db2.gz MWIQGVQEHVBBCS-JVEWKGNHSA-N 0 0 522.026 5.677 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000013686245 553485307 /nfs/dbraw/zinc/48/53/07/553485307.db2.gz JFAQMEJPGPCHQW-OJEZVBBGSA-N 0 0 503.624 5.645 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nc2sc(C)c(C)c2c1=O ZINC000013752022 553488045 /nfs/dbraw/zinc/48/80/45/553488045.db2.gz YHEIBMFCSMXYAP-UHFFFAOYSA-N 0 0 500.390 5.032 50 30 KKEARN CCOc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000013757303 553488317 /nfs/dbraw/zinc/48/83/17/553488317.db2.gz WSJMPKTWOKZJSB-RMVXMRNSSA-N 0 0 503.646 6.272 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2Cc2ccccc2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000013763421 553488686 /nfs/dbraw/zinc/48/86/86/553488686.db2.gz CWEYOQSHFAWPIC-QNKGDIEWSA-N 0 0 504.634 6.171 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccccc2)cc1 ZINC000013770097 553489491 /nfs/dbraw/zinc/48/94/91/553489491.db2.gz XOJSHHVLRJQLRH-ZYVHIHPKSA-N 0 0 513.557 6.123 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@H]3c1ccccc1)c1cccs1 ZINC000013776779 553489962 /nfs/dbraw/zinc/48/99/62/553489962.db2.gz IQYDLRDVVHFEIU-FSLBVTOFSA-N 0 0 503.587 6.566 50 30 KKEARN CCOC(=O)Cn1cc(/C=C2\S/C(=N/c3cccc(C(=O)OC(C)C)c3)N(C)C2=O)c2ccccc21 ZINC000013786502 553490778 /nfs/dbraw/zinc/49/07/78/553490778.db2.gz OTYNLZDXPRUDJM-OBVRBEPISA-N 0 0 505.596 5.003 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1)c1ccc(C)cc1 ZINC000013858018 553493458 /nfs/dbraw/zinc/49/34/58/553493458.db2.gz VELWFECXWZWBFV-BZEHSJIPSA-N 0 0 507.594 5.541 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1)c1ccc(C)cc1 ZINC000013858017 553493473 /nfs/dbraw/zinc/49/34/73/553493473.db2.gz VELWFECXWZWBFV-DBJCISIOSA-N 0 0 507.594 5.541 50 30 KKEARN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000013880888 553493883 /nfs/dbraw/zinc/49/38/83/553493883.db2.gz IKIKFVRXKDXODS-KEBDBYFISA-N 0 0 504.812 6.541 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(I)c1OC ZINC000013880975 553493940 /nfs/dbraw/zinc/49/39/40/553493940.db2.gz CLGUGBVNZQSYGJ-SXGWCWSVSA-N 0 0 514.772 5.162 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000013881044 553493965 /nfs/dbraw/zinc/49/39/65/553493965.db2.gz SZFRXNBLVHJYEA-XDHOZWIPSA-N 0 0 517.401 5.006 50 30 KKEARN CN(C)c1ccc(CC=CN=Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000013897396 553495070 /nfs/dbraw/zinc/49/50/70/553495070.db2.gz XKVNOAMECDJIJY-IIZRZHKESA-N 0 0 520.641 5.355 50 30 KKEARN CCCCCCCCOc1c(OC)cc(/C=C/C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc1OC ZINC000014299981 553511947 /nfs/dbraw/zinc/51/19/47/553511947.db2.gz YGEPYVAQKIHLFY-FYWRMAATSA-N 0 0 508.703 6.422 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)nnc1C1CCCCC1 ZINC000014361213 553514464 /nfs/dbraw/zinc/51/44/64/553514464.db2.gz JOEOHROTUJVYKM-UHFFFAOYSA-N 0 0 510.685 6.148 50 30 KKEARN COc1cc(C(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)/C3=N\c2ccccc2)cc(OC)c1OC ZINC000014671494 553518979 /nfs/dbraw/zinc/51/89/79/553518979.db2.gz ZZWKSTVKMUNJMG-GDWJVWIDSA-N 0 0 512.562 5.595 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000014944733 553521915 /nfs/dbraw/zinc/52/19/15/553521915.db2.gz NUIKJYLRGYAXQU-LOYIFYEOSA-N 0 0 519.594 5.606 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1(C=Nc3cccc4ccccc43)c3ccccc3C2c2ccccc21 ZINC000015133586 553528231 /nfs/dbraw/zinc/52/82/31/553528231.db2.gz ALSPGQDIZNGPHU-RRGMHWAFSA-N 0 0 504.589 6.793 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c(Cl)c1 ZINC000015231407 553530077 /nfs/dbraw/zinc/53/00/77/553530077.db2.gz WLLBJROJKURDJV-QQXSKIMKSA-N 0 0 510.986 5.120 50 30 KKEARN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCSCC1 ZINC000015861721 553537898 /nfs/dbraw/zinc/53/78/98/553537898.db2.gz ZXKSKPYXOAIOSL-BOUAKLMYSA-N 0 0 521.718 6.664 50 30 KKEARN Cc1c(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000015863127 553538402 /nfs/dbraw/zinc/53/84/02/553538402.db2.gz FKGOJDJONMPNLR-UHFFFAOYSA-N 0 0 504.055 6.091 50 30 KKEARN C=CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC ZINC000015930677 553542437 /nfs/dbraw/zinc/54/24/37/553542437.db2.gz MYHSFXQDUHGBMS-CXUHLZMHSA-N 0 0 510.215 6.526 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000015930406 553542450 /nfs/dbraw/zinc/54/24/50/553542450.db2.gz ASQFOYSHGKKDDM-AREMUKBSSA-N 0 0 522.501 8.007 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946442 553544434 /nfs/dbraw/zinc/54/44/34/553544434.db2.gz COSRVIXWPYEBKM-IUUQDGFPSA-N 0 0 525.512 7.673 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)OC)c(Br)c3)S2)cc1 ZINC000016161409 553555711 /nfs/dbraw/zinc/55/57/11/553555711.db2.gz WGWNXVVTFTXCNC-LICLKQGHSA-N 0 0 509.809 5.108 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(Br)cc1 ZINC000016185225 553555992 /nfs/dbraw/zinc/55/59/92/553555992.db2.gz CALMVJOHAMSPAX-CRQQJOEMSA-N 0 0 508.894 6.877 50 30 KKEARN COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2N1 ZINC000016425512 553563007 /nfs/dbraw/zinc/56/30/07/553563007.db2.gz PPCZDQMMNHULRJ-PXNSSMCTSA-N 0 0 501.534 5.616 50 30 KKEARN O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000016451092 553565387 /nfs/dbraw/zinc/56/53/87/553565387.db2.gz WUOUWTSCUSXIRE-PIDRKRQWSA-N 0 0 501.405 7.518 50 30 KKEARN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000016478240 553565828 /nfs/dbraw/zinc/56/58/28/553565828.db2.gz XNQHANOJPICOGL-RBBQXQBVSA-N 0 0 510.593 7.647 50 30 KKEARN CCCCOc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000016512884 553566976 /nfs/dbraw/zinc/56/69/76/553566976.db2.gz BWZWAPJXDZAVSN-VUTHCHCSSA-N 0 0 501.428 7.198 50 30 KKEARN CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000016572385 553568164 /nfs/dbraw/zinc/56/81/64/553568164.db2.gz DXWPSWCQZGQRGD-SCLBCKFNSA-N 0 0 513.421 5.014 50 30 KKEARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]12 ZINC000016605630 553568815 /nfs/dbraw/zinc/56/88/15/553568815.db2.gz ABYYNQLUXNWGSV-NWDGNEFISA-N 0 0 518.638 5.824 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000016713689 553575144 /nfs/dbraw/zinc/57/51/44/553575144.db2.gz TXWFSXIKYSCGOS-VNLJKWRZSA-N 0 0 503.649 5.484 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc(Br)c1 ZINC000016713762 553575386 /nfs/dbraw/zinc/57/53/86/553575386.db2.gz RGDXFBKPZPKWMN-HSZRJFAPSA-N 0 0 516.432 5.407 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729979 553576034 /nfs/dbraw/zinc/57/60/34/553576034.db2.gz WQOMZOBWYCOEJQ-NDEPHWFRSA-N 0 0 533.621 6.280 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016729973 553576096 /nfs/dbraw/zinc/57/60/96/553576096.db2.gz YRHDKANVVZVZMN-YWEHKCAJSA-N 0 0 537.653 5.810 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016729936 553576123 /nfs/dbraw/zinc/57/61/23/553576123.db2.gz CSGVPFXMNVKXPH-LMSSTIIKSA-N 0 0 527.617 6.415 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734450 553578556 /nfs/dbraw/zinc/57/85/56/553578556.db2.gz FJCUTZREIFCNPZ-GDLZYMKVSA-N 0 0 518.569 6.217 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)c1 ZINC000016735903 553578877 /nfs/dbraw/zinc/57/88/77/553578877.db2.gz UHXZNLWKLNKQPB-UHFFFAOYSA-N 0 0 527.612 7.412 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016737471 553579259 /nfs/dbraw/zinc/57/92/59/553579259.db2.gz FEJIDIULBBLOFF-NDEPHWFRSA-N 0 0 520.541 5.424 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741948 553579994 /nfs/dbraw/zinc/57/99/94/553579994.db2.gz YWDZHEVFTYAQEH-SANMLTNESA-N 0 0 502.567 5.056 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000016750990 553580632 /nfs/dbraw/zinc/58/06/32/553580632.db2.gz VCFIJVFAWKAXGJ-XMMPIXPASA-N 0 0 518.543 6.116 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016805807 553583040 /nfs/dbraw/zinc/58/30/40/553583040.db2.gz BAJJMBIHZJYKOS-MHZLTWQESA-N 0 0 515.562 6.382 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)c3ccc(F)cc3)n2)ccc1OCCC(C)C ZINC000016805864 553583184 /nfs/dbraw/zinc/58/31/84/553583184.db2.gz DCMRPQXRJRLXLY-UHFFFAOYSA-N 0 0 516.560 7.487 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000017028939 553586766 /nfs/dbraw/zinc/58/67/66/553586766.db2.gz VECBMELOEXSNLQ-AFJIDDCJSA-N 0 0 513.550 5.533 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2c3ccccc3cc3ccccc32)C1 ZINC000017029179 553586777 /nfs/dbraw/zinc/58/67/77/553586777.db2.gz LCZNZXBQWMSUGH-UMSFTDKQSA-N 0 0 522.648 8.450 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000017123840 553588410 /nfs/dbraw/zinc/58/84/10/553588410.db2.gz RCQIMLFWBFTYMJ-MUUNZHRXSA-N 0 0 504.552 7.091 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc(Cl)c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000017138636 553588661 /nfs/dbraw/zinc/58/86/61/553588661.db2.gz SKZVPBWBBAYSBV-PRAQEBQASA-N 0 0 517.025 6.668 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000017166771 553589530 /nfs/dbraw/zinc/58/95/30/553589530.db2.gz FCVNXKLLACWGMB-DCEDVJGZSA-N 0 0 524.013 5.063 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S ZINC000020130964 553591423 /nfs/dbraw/zinc/59/14/23/553591423.db2.gz ZGJBFHWTRWMAKA-QJOMJCCJSA-N 0 0 502.101 6.873 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(/C=C3/S/C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)cc2)cc1 ZINC000017594885 553598507 /nfs/dbraw/zinc/59/85/07/553598507.db2.gz OTNLSBHXSLPHLV-OPJPDEGNSA-N 0 0 534.641 6.212 50 30 KKEARN CC(/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C ZINC000017653971 553599043 /nfs/dbraw/zinc/59/90/43/553599043.db2.gz FDSDTBUPSURDBL-DKLMTRRASA-N 0 0 564.854 10.964 50 30 endogenous,world KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(OC)c6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070669851 553599247 /nfs/dbraw/zinc/59/92/47/553599247.db2.gz WPSBODQYFORBIF-MWPHBZCKSA-N 0 0 616.883 9.097 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070670143 553600619 /nfs/dbraw/zinc/60/06/19/553600619.db2.gz RSJHOOMZERZSPH-NHRFMIRVSA-N 0 0 554.687 7.193 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000017970927 553600965 /nfs/dbraw/zinc/60/09/65/553600965.db2.gz AXCFTEFLILHMEZ-WRGVRERRSA-N 0 0 589.088 6.380 50 30 KKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000018006923 553601344 /nfs/dbraw/zinc/60/13/44/553601344.db2.gz VUVZZLDNMPHKOR-KBMIEXCESA-N 0 0 518.444 6.697 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000018066417 553602726 /nfs/dbraw/zinc/60/27/26/553602726.db2.gz XDFTYIUWTNVBMD-SMSORMJASA-N 0 0 553.615 5.921 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccccc1O[C@H](C)CC ZINC000070673512 553603609 /nfs/dbraw/zinc/60/36/09/553603609.db2.gz OPQAWJZBDQKYQD-XRIYFMNMSA-N 0 0 554.687 7.192 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)COc2ccc(Cl)cc2)n1 ZINC000018088289 553603692 /nfs/dbraw/zinc/60/36/92/553603692.db2.gz JPHYZSWXXHGMGO-UHFFFAOYSA-N 0 0 511.413 5.087 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070680344 553604060 /nfs/dbraw/zinc/60/40/60/553604060.db2.gz WGMBIIYEDHIMTH-DYYUUNLCSA-N 0 0 601.828 8.988 50 30 biogenic KKEARN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000018116070 553604753 /nfs/dbraw/zinc/60/47/53/553604753.db2.gz OTKRUQXKDGIMET-SMSORMJASA-N 0 0 508.618 7.410 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018116340 553604757 /nfs/dbraw/zinc/60/47/57/553604757.db2.gz VWPJLJBEVRWZLJ-DFXYEROKSA-N 0 0 514.597 6.400 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1cccc(C)c1C)cn2CC ZINC000020183401 553605310 /nfs/dbraw/zinc/60/53/10/553605310.db2.gz AIHNCZZCNAXEOY-WPWMEQJKSA-N 0 0 513.733 5.409 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccccc3)C2)cc1 ZINC000018122715 553605438 /nfs/dbraw/zinc/60/54/38/553605438.db2.gz GPGXBVUAVPIQFJ-GOXGLGGOSA-N 0 0 500.598 6.910 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2cnc3ccccc3n2)c1 ZINC000018128335 553605736 /nfs/dbraw/zinc/60/57/36/553605736.db2.gz GTKUNYWYUIXHJZ-DFXYEROKSA-N 0 0 501.590 5.334 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000020190937 553605914 /nfs/dbraw/zinc/60/59/14/553605914.db2.gz SIPNUSYRXSLSJI-CRICUBBOSA-N 0 0 521.660 5.512 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000018172526 553607186 /nfs/dbraw/zinc/60/71/86/553607186.db2.gz KVHQWLXYAHWXRY-NRUKRWIHSA-N 0 0 513.081 8.129 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000018173392 553607218 /nfs/dbraw/zinc/60/72/18/553607218.db2.gz NJKPQWOQZGWRRM-HZVMBZBSSA-N 0 0 520.057 8.152 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000018172572 553607235 /nfs/dbraw/zinc/60/72/35/553607235.db2.gz NTILTAXXHDKBHE-JQJBXXCASA-N 0 0 508.662 7.485 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197728 553608857 /nfs/dbraw/zinc/60/88/57/553608857.db2.gz ZFKBAEZBTLQGQQ-YHAMSUFESA-N 0 0 506.458 7.507 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](C)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692068 553609372 /nfs/dbraw/zinc/60/93/72/553609372.db2.gz IGWBMSNTXOWCIT-UYKGFKCYSA-N 0 0 550.893 10.412 50 30 biogenic KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000018198264 553609474 /nfs/dbraw/zinc/60/94/74/553609474.db2.gz MRVUTCIFDUMCAF-VERVWZFWSA-N 0 0 501.370 5.026 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000018200299 553609992 /nfs/dbraw/zinc/60/99/92/553609992.db2.gz QFHGQZMFDSGCSI-AOMKIAJQSA-N 0 0 507.468 5.615 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000018250745 553611521 /nfs/dbraw/zinc/61/15/21/553611521.db2.gz BYKKQESTNQHJKV-HEIROHQZSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000018250748 553611549 /nfs/dbraw/zinc/61/15/49/553611549.db2.gz BYKKQESTNQHJKV-UDNBHOFDSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018250760 553611601 /nfs/dbraw/zinc/61/16/01/553611601.db2.gz QPJFBALCNWJORW-UGDMGKLASA-N 0 0 527.596 7.215 50 30 KKEARN CC(C)(O)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC=C2C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692401 553611685 /nfs/dbraw/zinc/61/16/85/553611685.db2.gz SGRMGMQDZAYBRV-VXQNQQNYSA-N 0 0 542.757 6.256 50 30 biogenic KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(Cl)cc1 ZINC000018285581 553612188 /nfs/dbraw/zinc/61/21/88/553612188.db2.gz OGPGTLUQEZRCMR-UVZMICEWSA-N 0 0 530.112 7.635 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@@H]3c3cccs3)C2)cc1OC ZINC000018284658 553612222 /nfs/dbraw/zinc/61/22/22/553612222.db2.gz YIEXZJKFOWCLTR-HMILPKGGSA-N 0 0 502.636 6.322 50 30 KKEARN C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 ZINC000070698865 553614945 /nfs/dbraw/zinc/61/49/45/553614945.db2.gz VIEYZFXQTPXFTM-OVURCLCYSA-N 0 0 549.708 5.019 50 30 biogenic KKEARN CCCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000019794405 553616894 /nfs/dbraw/zinc/61/68/94/553616894.db2.gz YAZKPSZIDNNPNC-UHFFFAOYSA-N 0 0 516.476 6.220 50 30 KKEARN CN1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000019798213 553617081 /nfs/dbraw/zinc/61/70/81/553617081.db2.gz GZZAGYNRXIWPNT-IZDIRFCDSA-N 0 0 501.626 6.826 50 30 KKEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019808788 553617952 /nfs/dbraw/zinc/61/79/52/553617952.db2.gz ROMXSHUCIPSSQO-UHFFFAOYSA-N 0 0 506.481 6.639 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000019830890 553622734 /nfs/dbraw/zinc/62/27/34/553622734.db2.gz AWYQMKYSPLIQKW-ACSYHNTCSA-N 0 0 517.622 5.560 50 30 KKEARN N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)CCCCCC2 ZINC000019840928 553623238 /nfs/dbraw/zinc/62/32/38/553623238.db2.gz SJWLXJWSKPNHJH-UHFFFAOYSA-N 0 0 512.455 6.536 50 30 KKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1Br ZINC000019841010 553623281 /nfs/dbraw/zinc/62/32/81/553623281.db2.gz XIORPRGPJRLYGV-UHFFFAOYSA-N 0 0 512.835 6.475 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848633 553623658 /nfs/dbraw/zinc/62/36/58/553623658.db2.gz VNCBORQHBGONOR-SSEXGKCCSA-N 0 0 507.630 6.869 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000019848828 553623880 /nfs/dbraw/zinc/62/38/80/553623880.db2.gz FPSQQUCTWFLFIC-UQBPGWFLSA-N 0 0 511.665 5.331 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019881768 553629523 /nfs/dbraw/zinc/62/95/23/553629523.db2.gz ARDRAZJSULHJRI-KCWXNJEJSA-N 0 0 535.637 5.042 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000019892347 553630619 /nfs/dbraw/zinc/63/06/19/553630619.db2.gz DDJFILYGSFMCNI-DCFHFQCYSA-N 0 0 526.029 5.299 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000019892397 553630846 /nfs/dbraw/zinc/63/08/46/553630846.db2.gz UBVOOTCRDMBWPR-AFJIDDCJSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019892498 553630861 /nfs/dbraw/zinc/63/08/61/553630861.db2.gz GAOPVJJIRKHPDX-RCRUUEGKSA-N 0 0 533.665 6.196 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C)c1 ZINC000019892381 553630867 /nfs/dbraw/zinc/63/08/67/553630867.db2.gz WCBGFYQZZHAHFI-DWACAAAGSA-N 0 0 521.679 5.670 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000019892667 553631283 /nfs/dbraw/zinc/63/12/83/553631283.db2.gz UULDTQBVHJMRIB-WTYVLRPYSA-N 0 0 535.637 5.426 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019892690 553631306 /nfs/dbraw/zinc/63/13/06/553631306.db2.gz PHSTUHDROAUBFG-GIWHPOJPSA-N 0 0 535.637 5.424 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1C ZINC000019892742 553631536 /nfs/dbraw/zinc/63/15/36/553631536.db2.gz HQBCXBGBQAMKEF-PIKZIKFNSA-N 0 0 521.679 5.670 50 30 KKEARN C=CCn1c2nnc(SCc3ccc(C)cc3)n2c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000020310321 553637284 /nfs/dbraw/zinc/63/72/84/553637284.db2.gz QXBDERUAOKVNSH-UHFFFAOYSA-N 0 0 513.692 5.451 50 30 KKEARN C=C[C@@](C)(CO[C@H]1CCCCO1)C[C@H]1O[C@@H](Sc2ccccc2)[C@@]23[C@H](O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786304 553637474 /nfs/dbraw/zinc/63/74/74/553637474.db2.gz XKEBWYLKXGJFQW-QSADFRNYSA-N 0 0 500.745 6.823 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000020324283 553638563 /nfs/dbraw/zinc/63/85/63/553638563.db2.gz ZWACNLIJRQNJHX-VUMVONDWSA-N 0 0 512.400 5.126 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2)cc1OC ZINC000020367645 553643283 /nfs/dbraw/zinc/64/32/83/553643283.db2.gz QXNMNRVRAAINPM-WVXBCFDCSA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)s2)cc1OC ZINC000020367627 553643295 /nfs/dbraw/zinc/64/32/95/553643295.db2.gz FHNBGSASLXENGH-DFXYEROKSA-N 0 0 528.674 6.382 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H](c2ccccc2)/C1=C1\C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000073242928 553652383 /nfs/dbraw/zinc/65/23/83/553652383.db2.gz HKQMVEYJUSCHJQ-MROSZDHPSA-N 0 0 616.760 10.238 50 30 KKEARN CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000020468815 553657301 /nfs/dbraw/zinc/65/73/01/553657301.db2.gz GJTVWHJIZNELMQ-STBIYBPSSA-N 0 0 507.059 5.763 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C)cc1 ZINC000020028440 553663742 /nfs/dbraw/zinc/66/37/42/553663742.db2.gz OLGJABKDULWYMF-UHFFFAOYSA-N 0 0 513.678 6.946 50 30 KKEARN CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NCCNC(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C ZINC000082195319 553676212 /nfs/dbraw/zinc/67/62/12/553676212.db2.gz UUCVCDGQOYSCGU-UHFFFAOYSA-N 0 0 714.654 6.834 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000020090627 553685986 /nfs/dbraw/zinc/68/59/86/553685986.db2.gz GNQYQOYOTKMOMU-FQEVSTJZSA-N 0 0 501.837 6.008 50 30 KKEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(=O)c5ccc(Cl)cc5)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085907541 553692296 /nfs/dbraw/zinc/69/22/96/553692296.db2.gz MPOSMQNLNZBUHU-WRBPULFVSA-N 0 0 834.315 5.797 50 30 KKEARN COc1cc(/C=C2\CN(C)C/C(=C/c3ccc(OCCC(C)C)c(OC)c3)C2=O)ccc1OCCC(C)C ZINC000020115324 553696946 /nfs/dbraw/zinc/69/69/46/553696946.db2.gz NCCIHCLQCUCCIW-WVZLMVLXSA-N 0 0 521.698 6.535 50 30 KKEARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\CC/C(=C\c2cn(-c3ccccc3)nc2CC(C)C)C1=O ZINC000020115456 553697096 /nfs/dbraw/zinc/69/70/96/553697096.db2.gz JCDXFDPJMHOGFM-FQHZWJPGSA-N 0 0 504.678 7.285 50 30 KKEARN CCC1C/C(=C\c2ccc(OCCC(C)C)c(OC)c2)C(=O)/C(=C/c2ccc(OCCC(C)C)c(OC)c2)C1 ZINC000020115598 553697132 /nfs/dbraw/zinc/69/71/32/553697132.db2.gz ZAMRBXJHGWFYLW-JUWMQZRYSA-N 0 0 534.737 8.410 50 30 KKEARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\CCC/C(=C\c2cn(-c3ccccc3)nc2CC(C)C)C1=O ZINC000020115460 553697154 /nfs/dbraw/zinc/69/71/54/553697154.db2.gz NCKZJLRIHSSBFY-CRYYDKFDSA-N 0 0 518.705 7.675 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000095099921 553698063 /nfs/dbraw/zinc/69/80/63/553698063.db2.gz KJCLEZXCNLPGIN-LNEVDLFMSA-N 0 0 527.690 7.208 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000020806641 553698851 /nfs/dbraw/zinc/69/88/51/553698851.db2.gz QOOJZFVJNSLJDO-JOCHJYFZSA-N 0 0 523.014 6.101 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100595 553698957 /nfs/dbraw/zinc/69/89/57/553698957.db2.gz CVBBSSLKMTZZJG-HOCLYGCPSA-N 0 0 659.377 8.353 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100593 553698963 /nfs/dbraw/zinc/69/89/63/553698963.db2.gz CVBBSSLKMTZZJG-GOEBONIOSA-N 0 0 659.377 8.353 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000020850288 553699712 /nfs/dbraw/zinc/69/97/12/553699712.db2.gz DQOOWCBDSQTCGZ-OAQYLSRUSA-N 0 0 513.436 6.130 50 30 KKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850903 553700174 /nfs/dbraw/zinc/70/01/74/553700174.db2.gz JGRGDCFAKYKHFZ-JOCHJYFZSA-N 0 0 509.473 6.299 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(Br)C(F)(F)Br ZINC000095676585 553707245 /nfs/dbraw/zinc/70/72/45/553707245.db2.gz HSLSYHFNCGWUKN-PVQJCKRUSA-N 0 0 509.857 6.138 50 30 KKEARN F[C@@H](OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681642 553707413 /nfs/dbraw/zinc/70/74/13/553707413.db2.gz NOCLWIPRQIWFMR-SPWCEZIXSA-N 0 0 784.100 9.164 50 30 KKEARN F[C@@H](OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095681640 553707418 /nfs/dbraw/zinc/70/74/18/553707418.db2.gz NOCLWIPRQIWFMR-ZTLPWIRDSA-N 0 0 784.100 9.164 50 30 KKEARN FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000095682150 553708284 /nfs/dbraw/zinc/70/82/84/553708284.db2.gz URMYIKJKCYYLMX-UHFFFAOYSA-N 0 0 570.976 7.732 50 30 KKEARN C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095686726 553708295 /nfs/dbraw/zinc/70/82/95/553708295.db2.gz NSSMHXVPVQADLY-UHFFFAOYSA-N 0 0 568.170 6.750 50 30 KKEARN CCCCCCCCCCCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1C(F)(F)F ZINC000095703765 553708894 /nfs/dbraw/zinc/70/88/94/553708894.db2.gz LEZGQSVFUMXADZ-UHFFFAOYSA-N 0 0 524.096 9.305 50 30 KKEARN CCOC(=O)C[C@@]1(C(=O)OCC)C[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O ZINC000095707888 553709646 /nfs/dbraw/zinc/70/96/46/553709646.db2.gz ZXPKQENNVJKVQL-QPUJVOFHSA-N 0 0 676.316 6.204 50 30 KKEARN FC(F)(F)c1cc(NC(=S)N2CCC(CCCC3CCN(C(=S)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)CC2)cc(C(F)(F)F)c1 ZINC000095719296 553709784 /nfs/dbraw/zinc/70/97/84/553709784.db2.gz KHEIMSSBCFXXPX-UHFFFAOYSA-N 0 0 752.735 10.450 50 30 KKEARN N#Cc1c(S[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000095723025 553710307 /nfs/dbraw/zinc/71/03/07/553710307.db2.gz MQSHMHJLWFUAKM-QFIPXVFZSA-N 0 0 631.545 9.210 50 30 KKEARN CCOC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000095725704 553710804 /nfs/dbraw/zinc/71/08/04/553710804.db2.gz RPKKROYKJWTCAO-LJQANCHMSA-N 0 0 560.413 5.279 50 30 KKEARN FC(F)(F)c1cc(-c2ccc(/C=N/NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc(C(F)(F)F)c1 ZINC000095730841 553711065 /nfs/dbraw/zinc/71/10/65/553711065.db2.gz YSZXMNYTZZLKCT-GESPGMLMSA-N 0 0 526.289 7.612 50 30 KKEARN CC(=CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095748054 553712603 /nfs/dbraw/zinc/71/26/03/553712603.db2.gz RORRIEDAKOHZNY-XNWCZRBMSA-N 0 0 524.305 7.716 50 30 KKEARN CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000095742946 553712636 /nfs/dbraw/zinc/71/26/36/553712636.db2.gz PEHRQEHPADAAFA-UHFFFAOYSA-N 0 0 593.765 9.438 50 30 KKEARN CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000095747918 553712686 /nfs/dbraw/zinc/71/26/86/553712686.db2.gz AYEIBLQKUIMIHL-ZZUHIMKBSA-N 0 0 542.674 6.005 50 30 KKEARN CC(=O)O[C@]12[C@H]([C@@H]3C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]3(O)[C@H](C)[C@H]1OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)C2(C)C ZINC000095876728 553714421 /nfs/dbraw/zinc/71/44/21/553714421.db2.gz GTNCUWBKHZZECN-IXTPSRJDSA-N 0 0 688.902 6.583 50 30 KKEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000096021635 553717427 /nfs/dbraw/zinc/71/74/27/553717427.db2.gz MGTCABBVXDWFOZ-UHFFFAOYSA-N 0 0 526.643 5.538 50 30 KKEARN C=C(C)COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000096115439 553725704 /nfs/dbraw/zinc/72/57/04/553725704.db2.gz OTFAXMLNPJEHRH-LEAFIULHSA-N 0 0 513.546 5.297 50 30 biogenic KKEARN COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000022170746 553727420 /nfs/dbraw/zinc/72/74/20/553727420.db2.gz OPCHRDGCKYESHK-NLGDKJDOSA-N 0 0 500.598 6.906 50 30 KKEARN C=CCn1c(SCc2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1cccs1 ZINC000096290973 553744359 /nfs/dbraw/zinc/74/43/59/553744359.db2.gz MRCZYOBQFRTXDN-UHFFFAOYSA-N 0 0 519.671 5.586 50 30 KKEARN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096295716 553748323 /nfs/dbraw/zinc/74/83/23/553748323.db2.gz YHBZXNNXEKIFGP-QHCPKHFHSA-N 0 0 524.415 5.101 50 30 KKEARN Cc1ccc(NC(=S)N/C(=N/c2sc(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)cc1 ZINC000096346118 553752566 /nfs/dbraw/zinc/75/25/66/553752566.db2.gz WVECZKMXGUVLRC-UHFFFAOYSA-N 0 0 504.684 7.850 50 30 KKEARN C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000096471763 553754566 /nfs/dbraw/zinc/75/45/66/553754566.db2.gz QYOKWQOWWBRUAB-XKZIYDEJSA-N 0 0 502.419 6.369 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000096569932 553756103 /nfs/dbraw/zinc/75/61/03/553756103.db2.gz YYTLHPIKICOEKR-PXLXIMEGSA-N 0 0 507.011 5.609 50 30 KKEARN C#CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000096584987 553756330 /nfs/dbraw/zinc/75/63/30/553756330.db2.gz NDBLHEAHVXHPMW-DGIPJLOQSA-N 0 0 507.615 6.035 50 30 KKEARN CC/N=C1\S/C(=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC ZINC000096822624 553757569 /nfs/dbraw/zinc/75/75/69/553757569.db2.gz JLHYLHCORJYVRO-MKIIFEJHSA-N 0 0 523.880 6.392 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1c(Br)cc(Br)cc1Br)sc1c2CCCC1 ZINC000097939519 553759479 /nfs/dbraw/zinc/75/94/79/553759479.db2.gz QNCOXMJWSJBLHB-UHFFFAOYSA-N 0 0 648.240 6.541 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000097939634 553759982 /nfs/dbraw/zinc/75/99/82/553759982.db2.gz DGVNITGPVSEIEZ-WXTAPIANSA-N 0 0 535.687 5.821 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939672 553760192 /nfs/dbraw/zinc/76/01/92/553760192.db2.gz DLTDFFZCYYLTJN-IIMAJNMQSA-N 0 0 573.642 5.060 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000097939651 553760240 /nfs/dbraw/zinc/76/02/40/553760240.db2.gz VWCCBNBIRBGKOZ-MEKGRNQZSA-N 0 0 632.804 6.312 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000097939687 553760556 /nfs/dbraw/zinc/76/05/56/553760556.db2.gz ZKIRJRVAFMAOJR-JMGYQRAPSA-N 0 0 545.548 5.329 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000097939716 553760823 /nfs/dbraw/zinc/76/08/23/553760823.db2.gz FVDCKXRHQAUPHG-WTYVLRPYSA-N 0 0 529.614 5.461 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939796 553761299 /nfs/dbraw/zinc/76/12/99/553761299.db2.gz WUPOFSCADWGEGG-CAQRMWTPSA-N 0 0 582.697 6.502 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097939878 553762134 /nfs/dbraw/zinc/76/21/34/553762134.db2.gz GJLCQHUYWNREKC-URAOTHONSA-N 0 0 569.614 5.621 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939886 553762141 /nfs/dbraw/zinc/76/21/41/553762141.db2.gz OJPYAZCYSYBJHQ-NRUKRWIHSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000097939928 553762497 /nfs/dbraw/zinc/76/24/97/553762497.db2.gz GZWVWGLQEYCUDL-CHJDUVSTSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000097939932 553762784 /nfs/dbraw/zinc/76/27/84/553762784.db2.gz WCAIJUBGMGIMCC-XFSFLGPDSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939961 553762788 /nfs/dbraw/zinc/76/27/88/553762788.db2.gz NMQBWZSIUYQTET-NRUKRWIHSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C)c1 ZINC000097939950 553762795 /nfs/dbraw/zinc/76/27/95/553762795.db2.gz BZGGORQTJLDJBD-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000097939944 553762798 /nfs/dbraw/zinc/76/27/98/553762798.db2.gz SGEBLTFVENOUIO-JPZYQRIQSA-N 0 0 570.711 6.435 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2coc3ccc(C)cc3c2=O)c1 ZINC000097939971 553762963 /nfs/dbraw/zinc/76/29/63/553762963.db2.gz OVIDEGAEKATSHU-RCRUUEGKSA-N 0 0 557.643 5.440 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccc(OC)cc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000097940019 553763289 /nfs/dbraw/zinc/76/32/89/553763289.db2.gz PIMOYAPGLYGNEE-GHRAFVERSA-N 0 0 568.670 6.111 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2C(F)(F)F)c1-c1ccc(F)c(Cl)c1 ZINC000097940496 553765648 /nfs/dbraw/zinc/76/56/48/553765648.db2.gz WQBDSCSGZTWUNX-UHFFFAOYSA-N 0 0 586.935 9.027 50 30 KKEARN CCCCCCCCC(=O)c1ccc2c(c1)OCCOCCOc1ccc(C(=O)CCCCCCCC)cc1OCCOCCO2 ZINC000097944174 553768674 /nfs/dbraw/zinc/76/86/74/553768674.db2.gz HSVYQIJMKNMNIY-UHFFFAOYSA-N 0 0 640.858 8.815 50 30 KKEARN O=C(Nc1ncccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097945337 553771476 /nfs/dbraw/zinc/77/14/76/553771476.db2.gz WJMWOHLAEMZYSA-UHFFFAOYSA-N 0 0 523.171 5.777 50 30 KKEARN C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000097945576 553773210 /nfs/dbraw/zinc/77/32/10/553773210.db2.gz JGMKXBACBXGPNV-UHFFFAOYSA-N 0 0 531.710 8.071 50 30 KKEARN O=C(Cc1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000097945811 553774936 /nfs/dbraw/zinc/77/49/36/553774936.db2.gz XIQMHGHIBKBPHS-GJBXTBEHSA-N 0 0 537.034 7.622 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)c(C(=O)/C=C/c3ccc(N(C)C)cc3)cc2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000097945993 553775916 /nfs/dbraw/zinc/77/59/16/553775916.db2.gz WHQLZPNYVYZNPO-RYQLWAFASA-N 0 0 764.922 7.763 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC)=C(C)N=3)cc1C ZINC000097946170 553777137 /nfs/dbraw/zinc/77/71/37/553777137.db2.gz WGJWTCMRKFMMFT-FWESEHMYSA-N 0 0 608.745 5.196 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000097946229 553777650 /nfs/dbraw/zinc/77/76/50/553777650.db2.gz PZOIZXZADRNCAO-VAMRJTSQSA-N 0 0 616.252 9.333 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097946248 553777941 /nfs/dbraw/zinc/77/79/41/553777941.db2.gz LVNSIODKRBFQSZ-CPOYULECSA-N 0 0 732.859 6.176 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3ccc(F)cc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023444925 553779558 /nfs/dbraw/zinc/77/95/58/553779558.db2.gz HGLNJESKLZRRRX-SSEXGKCCSA-N 0 0 512.629 5.013 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000097946539 553780025 /nfs/dbraw/zinc/78/00/25/553780025.db2.gz AGZMBLCJMMGRBP-DBSOIKDDSA-N 0 0 526.772 6.047 50 30 KKEARN CCCCCCCCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC ZINC000097946537 553780051 /nfs/dbraw/zinc/78/00/51/553780051.db2.gz TUHIHQIALWLDSE-BYNJWEBRSA-N 0 0 538.713 7.386 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)c3ccccc3F)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000023446098 553780242 /nfs/dbraw/zinc/78/02/42/553780242.db2.gz VNRJGYIDBGXWNN-SSEXGKCCSA-N 0 0 512.629 5.013 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000097946634 553780798 /nfs/dbraw/zinc/78/07/98/553780798.db2.gz SUEPYBDCRQVIIQ-QPLCGJKRSA-N 0 0 535.735 6.221 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1C ZINC000097946720 553781324 /nfs/dbraw/zinc/78/13/24/553781324.db2.gz KAPROJAPCAFBRL-LYHITVHMSA-N 0 0 543.652 5.595 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c(C)c1 ZINC000097946844 553781880 /nfs/dbraw/zinc/78/18/80/553781880.db2.gz YDPHNGYTIGEQQG-LYHITVHMSA-N 0 0 543.652 5.595 50 30 KKEARN CC[C@@H](C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1)c1ccccc1 ZINC000023450504 553781929 /nfs/dbraw/zinc/78/19/29/553781929.db2.gz FIJXCDLDFWFFOA-SAIUNTKASA-N 0 0 536.720 5.754 50 30 KKEARN Cc1ccc(F)cc1C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023451073 553782249 /nfs/dbraw/zinc/78/22/49/553782249.db2.gz HOZFHIDLUCTEAC-WJOKGBTCSA-N 0 0 526.656 5.322 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccccc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947031 553783162 /nfs/dbraw/zinc/78/31/62/553783162.db2.gz CUVPGLKYFVEWJH-MBGNVJMVSA-N 0 0 527.882 5.579 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097947202 553784439 /nfs/dbraw/zinc/78/44/39/553784439.db2.gz MKCIJSNAXCJZSE-YSMPRRRNSA-N 0 0 578.546 7.812 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC=C)c(C)c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097947469 553786513 /nfs/dbraw/zinc/78/65/13/553786513.db2.gz JGQDIWQBLMBXJW-FUZBLHKMSA-N 0 0 686.790 5.477 50 30 KKEARN O=c1c(/C=N/c2ccc(I)cc2)c(Nc2ccc(I)cc2)nc2ccccn12 ZINC000097947561 553787058 /nfs/dbraw/zinc/78/70/58/553787058.db2.gz BSZZWDBOPVLTHL-ZMOGYAJESA-N 0 0 592.178 5.398 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023968741 553787616 /nfs/dbraw/zinc/78/76/16/553787616.db2.gz DAKGXTMCIDNOLV-UHFFFAOYSA-N 0 0 521.643 5.021 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000023994773 553788195 /nfs/dbraw/zinc/78/81/95/553788195.db2.gz JEVYVVATHYPHEX-UHFFFAOYSA-N 0 0 509.701 6.615 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000097947726 553788598 /nfs/dbraw/zinc/78/85/98/553788598.db2.gz PTXIWSFQUIKHSG-OOAXWGSJSA-N 0 0 568.069 8.671 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097947819 553788830 /nfs/dbraw/zinc/78/88/30/553788830.db2.gz FLZOGKAAHVTOLP-CZZIKKGSSA-N 0 0 542.679 7.885 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000097947822 553788847 /nfs/dbraw/zinc/78/88/47/553788847.db2.gz AKJDYZPIHUYHQC-PGUFJCEWSA-N 0 0 542.679 7.651 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000097947983 553790306 /nfs/dbraw/zinc/79/03/06/553790306.db2.gz YHSYTAQIHWMBKE-INJOXJOKSA-N 0 0 548.086 7.620 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000097948010 553790459 /nfs/dbraw/zinc/79/04/59/553790459.db2.gz OYEUTFRJQMDYKN-GCKWNZSXSA-N 0 0 548.727 7.943 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc([C@H](C)Oc4cccc(C)c4C)n3C)sc2C1 ZINC000097948083 553790942 /nfs/dbraw/zinc/79/09/42/553790942.db2.gz VQGSFGLKEOILKT-PMACEKPBSA-N 0 0 551.782 6.777 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000097948167 553791697 /nfs/dbraw/zinc/79/16/97/553791697.db2.gz MSXXPQZWGAEBAC-ZWVRTZEQSA-N 0 0 555.162 9.118 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948440 553793872 /nfs/dbraw/zinc/79/38/72/553793872.db2.gz CTAARYAPYSNMQN-NDEPHWFRSA-N 0 0 570.671 6.785 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097948636 553795540 /nfs/dbraw/zinc/79/55/40/553795540.db2.gz LFDZYHZYPREMLE-XDCSYDRFSA-N 0 0 588.714 9.484 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000097948793 553796917 /nfs/dbraw/zinc/79/69/17/553796917.db2.gz PJKNVXLENSAYFX-GHRAFVERSA-N 0 0 603.933 8.870 50 30 KKEARN CCCCc1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(=O)OCC)cc1 ZINC000097949287 553801110 /nfs/dbraw/zinc/80/11/10/553801110.db2.gz IRUPEKXLABUWFU-UHFFFAOYSA-N 0 0 731.493 10.235 50 30 KKEARN C=CCn1c(COc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2 ZINC000097949319 553801435 /nfs/dbraw/zinc/80/14/35/553801435.db2.gz TWOQSPIULKBPJW-UHFFFAOYSA-N 0 0 540.711 5.508 50 30 KKEARN CCCCCCCC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)CCCCCCC)C1c1cccc([N+](=O)[O-])c1 ZINC000097949468 553801971 /nfs/dbraw/zinc/80/19/71/553801971.db2.gz XNLIAINDTXZMRU-UHFFFAOYSA-N 0 0 544.736 8.821 50 30 KKEARN CCCCCCCCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000097949492 553802047 /nfs/dbraw/zinc/80/20/47/553802047.db2.gz QVAUGIDLJXTTKN-UHFFFAOYSA-N 0 0 506.801 7.577 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949732 553802770 /nfs/dbraw/zinc/80/27/70/553802770.db2.gz UUBYHMPZSNXTFM-QFIPXVFZSA-N 0 0 507.462 7.234 50 30 KKEARN C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025164408 553804003 /nfs/dbraw/zinc/80/40/03/553804003.db2.gz AFWXMGFCDKKVIE-UHFFFAOYSA-N 0 0 502.565 7.657 50 30 KKEARN CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCC2)C(F)(F)F ZINC000097950357 553803992 /nfs/dbraw/zinc/80/39/92/553803992.db2.gz LZGUYJSAYHORJW-FQEVSTJZSA-N 0 0 519.467 5.181 50 30 KKEARN CCCCCCCCOc1ccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 ZINC000097950374 553804278 /nfs/dbraw/zinc/80/42/78/553804278.db2.gz VTHZDUTXHQRWLT-HSZRJFAPSA-N 0 0 515.658 5.804 50 30 KKEARN CCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCC)cc3)cc2)cc1 ZINC000097950572 553804752 /nfs/dbraw/zinc/80/47/52/553804752.db2.gz IRUYTBNMLHDIBP-UHFFFAOYSA-N 0 0 602.812 10.384 50 30 KKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1c(Br)cc(OC)cc1Br)C(Cl)(Cl)Cl ZINC000097950724 553805210 /nfs/dbraw/zinc/80/52/10/553805210.db2.gz YZGXEOKPRXGQKO-INIZCTEOSA-N 0 0 612.643 6.680 50 30 KKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950701 553805249 /nfs/dbraw/zinc/80/52/49/553805249.db2.gz ROJGWQZSTVVIEP-OAHLLOKOSA-N 0 0 503.721 5.909 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000097950737 553805256 /nfs/dbraw/zinc/80/52/56/553805256.db2.gz RMTMJRPJWOYDRO-XMMPIXPASA-N 0 0 581.050 7.663 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C(=O)OC)C(Cl)(Cl)Cl ZINC000097950739 553805307 /nfs/dbraw/zinc/80/53/07/553805307.db2.gz AOSADNJLKBKCGA-XMMPIXPASA-N 0 0 581.050 7.663 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1I)C(Cl)(Cl)Cl ZINC000097950757 553805541 /nfs/dbraw/zinc/80/55/41/553805541.db2.gz LLYXHCQPFMRXEE-NRFANRHFSA-N 0 0 575.790 8.217 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(N2C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)F)cc1 ZINC000097950855 553805695 /nfs/dbraw/zinc/80/56/95/553805695.db2.gz SIDABRPOEPPGJA-SECBINFHSA-N 0 0 597.225 6.006 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(NC(C)=O)cc1)C(Cl)(Cl)Cl ZINC000097950818 553805702 /nfs/dbraw/zinc/80/57/02/553805702.db2.gz AMWYVOUNDINEBE-XMMPIXPASA-N 0 0 580.066 7.835 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950917 553805984 /nfs/dbraw/zinc/80/59/84/553805984.db2.gz UVJZHMGXQWHNSF-JOCHJYFZSA-N 0 0 601.910 8.639 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950900 553805987 /nfs/dbraw/zinc/80/59/87/553805987.db2.gz OQVQCQWWLAUHIR-JOCHJYFZSA-N 0 0 542.817 8.765 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000097950908 553805997 /nfs/dbraw/zinc/80/59/97/553805997.db2.gz PRZAENMOGHMALP-QHCPKHFHSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950886 553806000 /nfs/dbraw/zinc/80/60/00/553806000.db2.gz KSMZVEPOZOTQNP-OAQYLSRUSA-N 0 0 528.790 8.375 50 30 KKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN([C@H]2N=CC(C)(C)S2)CC1 ZINC000097950936 553806230 /nfs/dbraw/zinc/80/62/30/553806230.db2.gz PYBQZUBYGWDFJU-GDLZYMKVSA-N 0 0 516.759 6.572 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950941 553806273 /nfs/dbraw/zinc/80/62/73/553806273.db2.gz LAKVDTKMUVCIII-OAQYLSRUSA-N 0 0 528.790 8.375 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000097951023 553806491 /nfs/dbraw/zinc/80/64/91/553806491.db2.gz MDTMPFIIFHDGOI-CRICUBBOSA-N 0 0 548.458 7.307 50 30 KKEARN O=C(Nc1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097951014 553806517 /nfs/dbraw/zinc/80/65/17/553806517.db2.gz DCZIFEXHJNDKJP-UHFFFAOYSA-N 0 0 508.061 6.671 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951097 553806976 /nfs/dbraw/zinc/80/69/76/553806976.db2.gz TURCIZIYGOVBNP-JDXGNMNLSA-N 0 0 505.058 7.940 50 30 KKEARN CCCCCCCCCCCCCCCCn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000097951090 553807018 /nfs/dbraw/zinc/80/70/18/553807018.db2.gz AXVUKPSSVMVKMC-UHFFFAOYSA-N 0 0 511.776 8.339 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000097951345 553808363 /nfs/dbraw/zinc/80/83/63/553808363.db2.gz CIFNFQOJHWIFEG-BHBYDHKZSA-N 0 0 505.058 7.940 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097951481 553809402 /nfs/dbraw/zinc/80/94/02/553809402.db2.gz JXLGKJXTDIULAS-WKRVVKTRSA-N 0 0 533.499 8.249 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000097951517 553809416 /nfs/dbraw/zinc/80/94/16/553809416.db2.gz YSLDNIJBESQHKC-SSEXGKCCSA-N 0 0 521.717 8.885 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000097951535 553809599 /nfs/dbraw/zinc/80/95/99/553809599.db2.gz QSHGWWUEKKHDEQ-YTTGMZPUSA-N 0 0 547.780 9.063 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000097951659 553810537 /nfs/dbraw/zinc/81/05/37/553810537.db2.gz BRQPPRMTOOAFGW-SSEXGKCCSA-N 0 0 521.717 8.885 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951818 553811420 /nfs/dbraw/zinc/81/14/20/553811420.db2.gz OLPFXWUGYBEAGT-MHZLTWQESA-N 0 0 546.620 5.373 50 30 KKEARN N=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)C(NNc2cccc3ccccc32)=C1N=Nc1cccc2ccccc21 ZINC000025584854 553811925 /nfs/dbraw/zinc/81/19/25/553811925.db2.gz IPPHDEKJJJFSTE-IAFJJVFGSA-N 0 0 514.545 6.886 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952172 553813803 /nfs/dbraw/zinc/81/38/03/553813803.db2.gz YIRMKWVPBHOQNA-DEOSSOPVSA-N 0 0 546.601 5.422 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000097952297 553814695 /nfs/dbraw/zinc/81/46/95/553814695.db2.gz XOMHHCNAOUPQFG-LJAQVGFWSA-N 0 0 548.595 5.534 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952291 553814742 /nfs/dbraw/zinc/81/47/42/553814742.db2.gz OLKSEXBDGNLRJW-HSZRJFAPSA-N 0 0 549.446 6.413 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097952321 553815098 /nfs/dbraw/zinc/81/50/98/553815098.db2.gz CUSPUYMNXFOWGB-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952445 553815718 /nfs/dbraw/zinc/81/57/18/553815718.db2.gz HEAFGJUKBSHDIM-SANMLTNESA-N 0 0 528.630 6.439 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000097952470 553816019 /nfs/dbraw/zinc/81/60/19/553816019.db2.gz ODFVSBDNIXCZNW-AREMUKBSSA-N 0 0 528.630 6.439 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097952525 553816240 /nfs/dbraw/zinc/81/62/40/553816240.db2.gz TZEBVDMXQUJKHK-PMERELPUSA-N 0 0 533.628 5.814 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000097952492 553816309 /nfs/dbraw/zinc/81/63/09/553816309.db2.gz MJCPAUYBZBEOCZ-PMERELPUSA-N 0 0 533.628 5.814 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097952600 553817000 /nfs/dbraw/zinc/81/70/00/553817000.db2.gz MYQBOMBALJHAPM-PMERELPUSA-N 0 0 535.640 7.243 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952586 553817051 /nfs/dbraw/zinc/81/70/51/553817051.db2.gz YGDWLQHLRDEHFA-GDLZYMKVSA-N 0 0 537.616 5.448 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952590 553817085 /nfs/dbraw/zinc/81/70/85/553817085.db2.gz WUXWEPQGIRNUEO-AREMUKBSSA-N 0 0 544.629 6.194 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097952951 553818233 /nfs/dbraw/zinc/81/82/33/553818233.db2.gz VNTWQRRUOZTRJB-SSEXGKCCSA-N 0 0 533.580 6.071 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000097953104 553819560 /nfs/dbraw/zinc/81/95/60/553819560.db2.gz FDYDWDZIMFQVGT-UHFFFAOYSA-N 0 0 534.125 6.937 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000097953146 553819773 /nfs/dbraw/zinc/81/97/73/553819773.db2.gz QAXHNZOVZZIWSA-LJAQVGFWSA-N 0 0 543.616 5.466 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954006 553820568 /nfs/dbraw/zinc/82/05/68/553820568.db2.gz ZMDCQHHISBEVJV-JRPXNJEYSA-N 0 0 532.596 5.763 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097954148 553821618 /nfs/dbraw/zinc/82/16/18/553821618.db2.gz MBAPXEGTLPWMMI-AFJIDDCJSA-N 0 0 545.632 6.349 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000026841749 553821687 /nfs/dbraw/zinc/82/16/87/553821687.db2.gz KVRIRQGDPHOPSO-XMMPIXPASA-N 0 0 511.405 6.263 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097954246 553822642 /nfs/dbraw/zinc/82/26/42/553822642.db2.gz KEMIBBGCUJIMDQ-DFXYEROKSA-N 0 0 539.628 5.795 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097954414 553822897 /nfs/dbraw/zinc/82/28/97/553822897.db2.gz RAPSEPAVQXGILY-IIMAJNMQSA-N 0 0 541.644 6.366 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000097954418 553822920 /nfs/dbraw/zinc/82/29/20/553822920.db2.gz NGPHFQTZCVUTGW-GDLZYMKVSA-N 0 0 539.584 5.963 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097954458 553823144 /nfs/dbraw/zinc/82/31/44/553823144.db2.gz VKTFXAFCFFHBLO-CTXJTIKKSA-N 0 0 543.583 6.131 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097954457 553823209 /nfs/dbraw/zinc/82/32/09/553823209.db2.gz VKTFXAFCFFHBLO-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN O=S(=O)(c1ccc(-c2csc(N=NCc3ccc(Cl)cc3Cl)n2)cc1)N1CCCCCC1 ZINC000027020392 553824003 /nfs/dbraw/zinc/82/40/03/553824003.db2.gz IYVMLBGHLQBZCH-AFUMVMLFSA-N 0 0 509.484 6.128 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000097954658 553824682 /nfs/dbraw/zinc/82/46/82/553824682.db2.gz SMGCBOOMNJKAMR-PMERELPUSA-N 0 0 548.724 8.654 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097954738 553824930 /nfs/dbraw/zinc/82/49/30/553824930.db2.gz UKODMAVGVHFVGM-JPQMRUPTSA-N 0 0 545.635 6.410 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955072 553828269 /nfs/dbraw/zinc/82/82/69/553828269.db2.gz YFNVHVSNWPDBPD-YHAMSUFESA-N 0 0 542.613 5.810 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000027522323 553828744 /nfs/dbraw/zinc/82/87/44/553828744.db2.gz NBARFVLCFJWYFN-FZWCJVCJSA-N 0 0 521.614 5.354 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955104 553828775 /nfs/dbraw/zinc/82/87/75/553828775.db2.gz WGCVCFRTSUQHMQ-JWIGPWBQSA-N 0 0 572.639 5.906 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000027522342 553828814 /nfs/dbraw/zinc/82/88/14/553828814.db2.gz QLDLDQUNNLLDAT-IOYDYCAWSA-N 0 0 524.042 5.560 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955121 553828790 /nfs/dbraw/zinc/82/87/90/553828790.db2.gz XGMGPSDZBMMGRY-YHAMSUFESA-N 0 0 542.613 5.734 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522527 553829328 /nfs/dbraw/zinc/82/93/28/553829328.db2.gz LHTFEVAWMDBTRX-IOYDYCAWSA-N 0 0 524.042 5.908 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000027522517 553829331 /nfs/dbraw/zinc/82/93/31/553829331.db2.gz ULPFPOSJWBALAQ-JVEWKGNHSA-N 0 0 522.026 5.330 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccccc2)cc1 ZINC000027522521 553829339 /nfs/dbraw/zinc/82/93/39/553829339.db2.gz CQTQAYRGTBFJMP-DXWCKFLSSA-N 0 0 503.624 5.297 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955172 553829404 /nfs/dbraw/zinc/82/94/04/553829404.db2.gz KQPYGYLAGMSVCU-FYSMJZIKSA-N 0 0 560.628 5.299 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955177 553829420 /nfs/dbraw/zinc/82/94/20/553829420.db2.gz HPVCZNGJTYIQHD-SXBQZSJRSA-N 0 0 563.031 6.160 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955198 553829826 /nfs/dbraw/zinc/82/98/26/553829826.db2.gz HLWCUSDINRGWJD-FYSMJZIKSA-N 0 0 546.645 5.858 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097955235 553830286 /nfs/dbraw/zinc/83/02/86/553830286.db2.gz OCUAPFYXMXACSF-MHZLTWQESA-N 0 0 582.678 6.471 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1 ZINC000027528334 553831274 /nfs/dbraw/zinc/83/12/74/553831274.db2.gz XPKICVNTJJGKSV-SANMLTNESA-N 0 0 509.562 5.576 50 30 KKEARN Oc1ccc(I)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000097955549 553831319 /nfs/dbraw/zinc/83/13/19/553831319.db2.gz HGIRPKVVLLGYEE-FOKLQQMPSA-N 0 0 566.136 6.160 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529813 553831670 /nfs/dbraw/zinc/83/16/70/553831670.db2.gz RZABXKTUVMYLIN-IQMFZBJNSA-N 0 0 505.596 5.132 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OC ZINC000027531162 553832025 /nfs/dbraw/zinc/83/20/25/553832025.db2.gz ZXRDDTCVJWQKFB-SVWNWVSSSA-N 0 0 525.030 5.564 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955686 553832831 /nfs/dbraw/zinc/83/28/31/553832831.db2.gz PYEUIRYLLVTZGS-OYLFLEFRSA-N 0 0 527.558 5.619 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955722 553833163 /nfs/dbraw/zinc/83/31/63/553833163.db2.gz OFJJFZRERNPNDG-WNSKOXEYSA-N 0 0 548.617 5.133 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955729 553833223 /nfs/dbraw/zinc/83/32/23/553833223.db2.gz RAGZBCVUFQDARK-QTYPKTMWSA-N 0 0 636.701 7.519 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955762 553833626 /nfs/dbraw/zinc/83/36/26/553833626.db2.gz BJMZJEDYOKHQIT-XGCWNURASA-N 0 0 540.641 6.364 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955764 553833876 /nfs/dbraw/zinc/83/38/76/553833876.db2.gz SFSMCEZFUIKMPJ-WJOKGBTCSA-N 0 0 644.746 7.217 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955771 553833892 /nfs/dbraw/zinc/83/38/92/553833892.db2.gz DBORTZYUYVMKJJ-DXPJPUQTSA-N 0 0 526.614 5.974 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000097955845 553834703 /nfs/dbraw/zinc/83/47/03/553834703.db2.gz LLTBIZLPLMRARC-BZQUYTCOSA-N 0 0 528.586 5.507 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955875 553834929 /nfs/dbraw/zinc/83/49/29/553834929.db2.gz HFXHBJCRGQIUGD-AKJBCIBTSA-N 0 0 542.613 5.810 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1)[C@@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000097955989 553835550 /nfs/dbraw/zinc/83/55/50/553835550.db2.gz KNPDNSGXLUIIBS-ITUPJSHISA-N 0 0 560.719 8.140 50 30 KKEARN O=C(c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)N1CCC[C@@H]1COc1ccc(F)cc1 ZINC000097956115 553836292 /nfs/dbraw/zinc/83/62/92/553836292.db2.gz YTMSXBRPSLVVJB-HXUWFJFHSA-N 0 0 537.389 5.040 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097956225 553836984 /nfs/dbraw/zinc/83/69/84/553836984.db2.gz TXHJBPAJCGPVTC-MHZLTWQESA-N 0 0 538.669 7.111 50 30 KKEARN N#Cc1ccccc1N1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000097956310 553837669 /nfs/dbraw/zinc/83/76/69/553837669.db2.gz OCBMORRYHCEZLH-YSMPRRRNSA-N 0 0 544.583 5.035 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956555 553839399 /nfs/dbraw/zinc/83/93/99/553839399.db2.gz FXSFLJYGLYTHIK-YHAMSUFESA-N 0 0 542.588 6.107 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956537 553839412 /nfs/dbraw/zinc/83/94/12/553839412.db2.gz HATVPPTZTQFWCZ-SXBQZSJRSA-N 0 0 544.585 5.125 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000097956571 553839901 /nfs/dbraw/zinc/83/99/01/553839901.db2.gz JOYRKHIDEAISSM-MBXDFBHOSA-N 0 0 680.754 6.961 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5ccc(Cl)cc5)n42)COC(C)(C)C3)cc1 ZINC000097956693 553840763 /nfs/dbraw/zinc/84/07/63/553840763.db2.gz FSXZKEOPTLADHA-UHFFFAOYSA-N 0 0 533.057 5.889 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nnc3c4c(c(C#N)c(Nc5ccccc5)n23)CC(C)(C)OC4)cc1 ZINC000097956681 553840773 /nfs/dbraw/zinc/84/07/73/553840773.db2.gz HLTGJMREMRYORF-UHFFFAOYSA-N 0 0 526.622 5.129 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000029747803 553848925 /nfs/dbraw/zinc/84/89/25/553848925.db2.gz CELSLVSRAQJBLD-QBLOJZIGSA-N 0 0 579.715 5.184 50 30 KKEARN CCOC(=O)N1CCC(NC(=O)c2ccc3nc(CC(=O)c4ccc(C5CCCCC5)cc4)c(=O)[nH]c3c2)CC1 ZINC000029749675 553852506 /nfs/dbraw/zinc/85/25/06/553852506.db2.gz YMLOEDVBTFAMAT-DIBXZPPDSA-N 0 0 544.652 5.216 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2cccc(C(=O)/C=C/c3ccccc3)c2)c4=O)c1 ZINC000097958545 553855465 /nfs/dbraw/zinc/85/54/65/553855465.db2.gz AAPBRUCQBIISCL-XPWSMXQVSA-N 0 0 628.640 5.683 50 30 KKEARN O=C(/C=C/c1ccc(/N=C/c2ccc(/C=N/c3ccc(/C=C/C(=O)c4ccccc4)cc3)cc2)cc1)c1ccccc1 ZINC000097958705 553857131 /nfs/dbraw/zinc/85/71/31/553857131.db2.gz HEVQOMCLDGEUJH-JOBFEDGQSA-N 0 0 544.654 8.980 50 30 KKEARN CCc1ccc2oc(-c3cccc(/N=C/c4c(O)c(OC)cc(Br)c4Br)c3)nc2c1 ZINC000097958806 553857634 /nfs/dbraw/zinc/85/76/34/553857634.db2.gz JKLKKJBYRUXVMM-RPPGKUMJSA-N 0 0 530.216 7.047 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4ccccc4[C@H](C)CC)c4ccccc34)C2=N)S1 ZINC000097958801 553857731 /nfs/dbraw/zinc/85/77/31/553857731.db2.gz FEFDOIYAOGVKFY-YBJYDVPTSA-N 0 0 569.775 8.213 50 30 KKEARN O=C(Nc1ccc(N=CC2=CC(=[NH+][N-]c3ccc(Cl)cc3)C=CC2=O)cc1)c1cccc(Br)c1 ZINC000097958778 553857744 /nfs/dbraw/zinc/85/77/44/553857744.db2.gz STUVHHOCQATXTJ-ALOWENIPSA-N 0 0 533.813 8.226 50 30 KKEARN CCCCCN(CCCCC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(N=NCc2ccc(Cl)cc2Cl)n1 ZINC000097958967 553859396 /nfs/dbraw/zinc/85/93/96/553859396.db2.gz YZVVOJPBCIWQKB-NIRJMVPRSA-N 0 0 610.421 8.564 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccc(Cl)cc1)c1ccco1 ZINC000031829224 553862022 /nfs/dbraw/zinc/86/20/22/553862022.db2.gz HWNIEGPBBMVNFI-RHANQZHGSA-N 0 0 514.994 7.547 50 30 KKEARN Cc1ccc(C(=O)Nc2sc(N=NCc3cccc(Oc4ccccc4)c3)nc2-c2ccc(C)cc2)cc1 ZINC000031829220 553862048 /nfs/dbraw/zinc/86/20/48/553862048.db2.gz CDEHZHOZOOYFLT-RGXNXFOYSA-N 0 0 518.642 7.918 50 30 KKEARN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 ZINC000097959324 553862645 /nfs/dbraw/zinc/86/26/45/553862645.db2.gz MSXFBRCZQXAVGN-UHFFFAOYSA-N 0 0 554.738 5.898 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000097959399 553863372 /nfs/dbraw/zinc/86/33/72/553863372.db2.gz WKKFGKWBGNWVIW-UUWRZZSWSA-N 0 0 552.715 7.998 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(OCCC)cc2OCCC)cc1 ZINC000097959396 553863388 /nfs/dbraw/zinc/86/33/88/553863388.db2.gz XMAXROCGQDSIAR-NDEPHWFRSA-N 0 0 594.506 6.503 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000097959646 553865216 /nfs/dbraw/zinc/86/52/16/553865216.db2.gz KBHCFFRAVLCXOO-KOHVVVGESA-N 0 0 554.043 5.859 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959694 553865452 /nfs/dbraw/zinc/86/54/52/553865452.db2.gz WOWVLMONWPWASP-UCSRTCPSSA-N 0 0 535.597 5.172 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959686 553865467 /nfs/dbraw/zinc/86/54/67/553865467.db2.gz MRWXXYWRTBGBJB-VOPIUBJASA-N 0 0 525.961 5.011 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)o1 ZINC000097959786 553866115 /nfs/dbraw/zinc/86/61/15/553866115.db2.gz CDJLXHMGTRYBFE-HDNNTFNPSA-N 0 0 537.617 5.920 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1ccc(C#N)cc1 ZINC000097959863 553866830 /nfs/dbraw/zinc/86/68/30/553866830.db2.gz ARFCYWWTTNMIKS-UXCMTWRGSA-N 0 0 596.687 6.541 50 30 KKEARN CCOc1cc(C=NNc2ccccc2Cl)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000032465097 553867341 /nfs/dbraw/zinc/86/73/41/553867341.db2.gz ILOWBLJMTJKGAA-MBTHVWNTSA-N 0 0 516.823 5.642 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@H]2c2ccccc2Cl)cc1 ZINC000097960023 553867670 /nfs/dbraw/zinc/86/76/70/553867670.db2.gz JKFZVNAGYLWBEU-GHRAFVERSA-N 0 0 553.033 7.702 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)S/C1=N\c1ccc(N2CCCCC2)cc1 ZINC000097960110 553868344 /nfs/dbraw/zinc/86/83/44/553868344.db2.gz HWFRBCCOKXECLU-ZRDURMIVSA-N 0 0 540.179 8.167 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000097960169 553868960 /nfs/dbraw/zinc/86/89/60/553868960.db2.gz NVJUVUAKEBBVBE-QRVIBDJDSA-N 0 0 541.458 6.516 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097960270 553870020 /nfs/dbraw/zinc/87/00/20/553870020.db2.gz ZJXCGRFHVSJLCJ-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Br)c1OCc1ccccc1C#N ZINC000097960436 553871640 /nfs/dbraw/zinc/87/16/40/553871640.db2.gz NWVAOENXBDSKNL-YDZHTSKRSA-N 0 0 552.425 6.329 50 30 KKEARN Cc1ccc(NC(=O)CSc2cc(C(=O)/C=C3\N(C)c4ccccc4C3(C)C)c3ccccc3n2)cc1 ZINC000032704567 553873450 /nfs/dbraw/zinc/87/34/50/553873450.db2.gz KSUXOVPAMZPGME-VEILYXNESA-N 0 0 507.659 6.768 50 30 KKEARN COc1cc(/C=N\c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccc2ccccc2c1 ZINC000097960920 553874381 /nfs/dbraw/zinc/87/43/81/553874381.db2.gz LWHHZCGTZXEGSP-DXJNIWACSA-N 0 0 531.450 6.777 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000097961048 553875069 /nfs/dbraw/zinc/87/50/69/553875069.db2.gz PNLTYNIOXZTBAH-LVGRRZFUSA-N 0 0 536.694 6.936 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3cc(OC)c(OC)cc3OC)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000097961047 553875165 /nfs/dbraw/zinc/87/51/65/553875165.db2.gz PNLTYNIOXZTBAH-HMNPYCRMSA-N 0 0 536.694 6.936 50 30 KKEARN COc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c(OC)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000097961225 553875988 /nfs/dbraw/zinc/87/59/88/553875988.db2.gz LNNVXYFIDIWFSU-UHFFFAOYSA-N 0 0 822.926 5.512 50 30 KKEARN C=CCc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000097962157 553883369 /nfs/dbraw/zinc/88/33/69/553883369.db2.gz UGZAOUODPZQJOX-BWAHOGKJSA-N 0 0 530.671 5.939 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1I ZINC000097962698 553885167 /nfs/dbraw/zinc/88/51/67/553885167.db2.gz HPCHIWDJGWZTAS-NVEQVSHNSA-N 0 0 616.262 6.003 50 30 KKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000097964033 553895915 /nfs/dbraw/zinc/89/59/15/553895915.db2.gz RDILKZMWHVZBFY-AASYHSMQSA-N 0 0 555.538 7.682 50 30 KKEARN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@H](C(C)(C)C)C3)c1 ZINC000097964034 553895919 /nfs/dbraw/zinc/89/59/19/553895919.db2.gz RDILKZMWHVZBFY-PCHPKZPRSA-N 0 0 555.538 7.682 50 30 KKEARN CC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000097964042 553895935 /nfs/dbraw/zinc/89/59/35/553895935.db2.gz SFDLZZJUVQENJR-IBHWIDAOSA-N 0 0 542.623 7.846 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(O)c(/N=N/c3c(-c4ccc(CCCCCC)cc4)nc4sc(-c5ccc(CCCCCC)cc5)nn34)c2)cc1 ZINC000097965411 553904498 /nfs/dbraw/zinc/90/44/98/553904498.db2.gz UANXHAPSHWEMGR-VPWQGRENSA-N 0 0 754.101 15.061 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965440 553904515 /nfs/dbraw/zinc/90/45/15/553904515.db2.gz KDICSMTUWYWHKK-VSPBFFAOSA-N 0 0 544.014 5.865 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965441 553904524 /nfs/dbraw/zinc/90/45/24/553904524.db2.gz KDICSMTUWYWHKK-WVLDPRMZSA-N 0 0 544.014 5.865 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(\C)c5ccc(Br)cc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000097965918 553906210 /nfs/dbraw/zinc/90/62/10/553906210.db2.gz FWKCZQWSBAQAGE-MWBNBJEGSA-N 0 0 598.457 6.925 50 30 KKEARN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1OCC ZINC000097966717 553909602 /nfs/dbraw/zinc/90/96/02/553909602.db2.gz WEKRSCBNGNLYRO-DPDIGTNLSA-N 0 0 642.818 7.259 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966752 553909981 /nfs/dbraw/zinc/90/99/81/553909981.db2.gz DJURNFKRNRYDTI-PMERELPUSA-N 0 0 627.620 9.417 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966781 553910419 /nfs/dbraw/zinc/91/04/19/553910419.db2.gz MXNCAJFVHYLHDN-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097966803 553910456 /nfs/dbraw/zinc/91/04/56/553910456.db2.gz SZSIFYPSIFGBMB-YTTGMZPUSA-N 0 0 600.712 5.282 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000097966876 553911524 /nfs/dbraw/zinc/91/15/24/553911524.db2.gz HOEVMRPFEPATOV-LJAQVGFWSA-N 0 0 595.523 6.181 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097966942 553912266 /nfs/dbraw/zinc/91/22/66/553912266.db2.gz IGXSYVDZQNPKES-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1F ZINC000097966985 553912726 /nfs/dbraw/zinc/91/27/26/553912726.db2.gz HHEDBOMQEDHZJI-SSEXGKCCSA-N 0 0 600.613 9.648 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1F ZINC000097966986 553912759 /nfs/dbraw/zinc/91/27/59/553912759.db2.gz HHEDBOMQEDHZJI-PMERELPUSA-N 0 0 600.613 9.648 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097967225 553915344 /nfs/dbraw/zinc/91/53/44/553915344.db2.gz GMNSEKBCGPBUBL-PMERELPUSA-N 0 0 661.519 10.271 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967232 553915366 /nfs/dbraw/zinc/91/53/66/553915366.db2.gz AOTJTDZCRFGVMY-VKGTZQKMSA-N 0 0 554.668 6.808 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967203 553915387 /nfs/dbraw/zinc/91/53/87/553915387.db2.gz PFNXADBMZQSIJS-FWUCURJTSA-N 0 0 592.733 5.278 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967252 553915706 /nfs/dbraw/zinc/91/57/06/553915706.db2.gz AMFKYVYYCPCWAM-JGCGQSQUSA-N 0 0 577.633 5.866 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967260 553915718 /nfs/dbraw/zinc/91/57/18/553915718.db2.gz DLBLCRDWBDTUGJ-CPJLOUKISA-N 0 0 575.484 6.782 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967234 553915764 /nfs/dbraw/zinc/91/57/64/553915764.db2.gz AOTJTDZCRFGVMY-GDJIYFAZSA-N 0 0 554.668 6.808 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967348 553917220 /nfs/dbraw/zinc/91/72/20/553917220.db2.gz MXUDVLQDTJPAEL-CLYVBNDRSA-N 0 0 601.725 7.199 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967371 553917707 /nfs/dbraw/zinc/91/77/07/553917707.db2.gz QZGMFLBIMAGHDE-HPGBDJQBSA-N 0 0 586.666 6.209 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967416 553918039 /nfs/dbraw/zinc/91/80/39/553918039.db2.gz QMGXVMABECFHJD-VKGTZQKMSA-N 0 0 554.668 6.890 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967400 553918044 /nfs/dbraw/zinc/91/80/44/553918044.db2.gz IRLDKSLTVSWVPR-HKBQPEDESA-N 0 0 620.683 6.828 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967399 553918066 /nfs/dbraw/zinc/91/80/66/553918066.db2.gz IRLDKSLTVSWVPR-WJOKGBTCSA-N 0 0 620.683 6.828 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967425 553918485 /nfs/dbraw/zinc/91/84/85/553918485.db2.gz PPBWOGYIFHYKLO-HKBQPEDESA-N 0 0 620.683 6.828 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967456 553918817 /nfs/dbraw/zinc/91/88/17/553918817.db2.gz JRKIGLPJKGMXEQ-ICACTRECSA-N 0 0 602.712 7.598 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967479 553918846 /nfs/dbraw/zinc/91/88/46/553918846.db2.gz DRKGSZLCPZJMID-OWJWWREXSA-N 0 0 561.457 6.474 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967511 553919320 /nfs/dbraw/zinc/91/93/20/553919320.db2.gz PKHYSNXPYQVGPI-MHZLTWQESA-N 0 0 598.677 6.307 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967491 553919330 /nfs/dbraw/zinc/91/93/30/553919330.db2.gz OZCLRDYLTMVFHI-XDBZFTIUSA-N 0 0 589.113 7.625 50 30 KKEARN CCC/C(Cl)=N\OC(NC(=O)Nc1cccc([C@](O)(C(=O)OCC)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000097967538 553919704 /nfs/dbraw/zinc/91/97/04/553919704.db2.gz OZTZJWZIDPVMFN-BLFUIXFPSA-N 0 0 575.812 5.311 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967561 553920123 /nfs/dbraw/zinc/92/01/23/553920123.db2.gz JKGKWCYTDKLGBW-WJOKGBTCSA-N 0 0 644.746 7.073 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967587 553920507 /nfs/dbraw/zinc/92/05/07/553920507.db2.gz JLXAYMFFMKXVDE-CRICUBBOSA-N 0 0 576.671 5.913 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097967658 553921469 /nfs/dbraw/zinc/92/14/69/553921469.db2.gz MWYWYBKUWVRLEL-SSEXGKCCSA-N 0 0 583.169 9.308 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967660 553921475 /nfs/dbraw/zinc/92/14/75/553921475.db2.gz XWMIYMVNVLGIBN-XDBZFTIUSA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967709 553922232 /nfs/dbraw/zinc/92/22/32/553922232.db2.gz NBKQWHQSKVPCSI-CHJDUVSTSA-N 0 0 573.690 5.699 50 30 KKEARN CCCCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(O[C@@H](C)CCCCCC)c(F)c3)cc2)cc1 ZINC000033353040 553922914 /nfs/dbraw/zinc/92/29/14/553922914.db2.gz WEJNHTMWRYDDIG-MHZLTWQESA-N 0 0 532.740 10.353 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967771 553923216 /nfs/dbraw/zinc/92/32/16/553923216.db2.gz QWEFSURMYXRSCP-CBZJRKILSA-N 0 0 575.086 7.235 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967773 553923229 /nfs/dbraw/zinc/92/32/29/553923229.db2.gz QWEFSURMYXRSCP-CRYYWNKWSA-N 0 0 575.086 7.235 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967805 553923650 /nfs/dbraw/zinc/92/36/50/553923650.db2.gz XKXGISCDPXUTEV-MQFAKOPTSA-N 0 0 634.710 6.999 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967842 553923982 /nfs/dbraw/zinc/92/39/82/553923982.db2.gz BZMSPPBTQPMMFS-JMQGSBJISA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1Cl ZINC000033353481 553925613 /nfs/dbraw/zinc/92/56/13/553925613.db2.gz YCQKIGLRYKUSPG-OKMHPQNISA-N 0 0 619.139 5.473 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967975 553925607 /nfs/dbraw/zinc/92/56/07/553925607.db2.gz HNZOOVNIBPEEAI-CBZJRKILSA-N 0 0 652.625 8.367 50 30 KKEARN CCCCCCCCOc1ccc(C(=O)COC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1F ZINC000033353691 553926500 /nfs/dbraw/zinc/92/65/00/553926500.db2.gz OFWDHNGFMJKFJR-UHFFFAOYSA-N 0 0 510.690 8.679 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000033353776 553927113 /nfs/dbraw/zinc/92/71/13/553927113.db2.gz BLGRVSHUXLXVHX-QTYPKTMWSA-N 0 0 572.658 6.040 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c1OC ZINC000033354002 553927855 /nfs/dbraw/zinc/92/78/55/553927855.db2.gz WJZJZCDEKJVFOS-VWLOTQADSA-N 0 0 559.460 6.130 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000033353975 553927863 /nfs/dbraw/zinc/92/78/63/553927863.db2.gz YFDQIVQYBCPDMA-QHCPKHFHSA-N 0 0 552.494 6.310 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968162 553928280 /nfs/dbraw/zinc/92/82/80/553928280.db2.gz WEBPSHQTYZVXAD-XDBZFTIUSA-N 0 0 572.658 7.111 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968158 553928354 /nfs/dbraw/zinc/92/83/54/553928354.db2.gz WKWRSWGKHUOIBH-MRDQGFSESA-N 0 0 560.672 6.329 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968165 553928765 /nfs/dbraw/zinc/92/87/65/553928765.db2.gz WEBPSHQTYZVXAD-WRHNGFHOSA-N 0 0 572.658 7.111 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000033354335 553929165 /nfs/dbraw/zinc/92/91/65/553929165.db2.gz YUWXBJBTLMJOCC-UZWMFBFFSA-N 0 0 674.786 7.278 50 30 KKEARN O=C(N[C@H](c1ccc(Br)cc1)[C@H](/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000033354489 553930050 /nfs/dbraw/zinc/93/00/50/553930050.db2.gz GHWKKSYJCZXFKZ-HJFWAPJYSA-N 0 0 720.097 9.068 50 30 KKEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCCCCSc2nc(-c3ccccc3)cc(-c3ccccc3OC)c2C#N)c1C#N ZINC000033354836 553931489 /nfs/dbraw/zinc/93/14/89/553931489.db2.gz ACSMVZTVZKOALB-UHFFFAOYSA-N 0 0 690.894 10.570 50 30 KKEARN CCCCCCCCCOC(=O)CNc1nc(C#N)nc(NCC(=O)OCCCCCCCCC)n1 ZINC000033354998 553932597 /nfs/dbraw/zinc/93/25/97/553932597.db2.gz MRGYPQGNUXHUIG-UHFFFAOYSA-N 0 0 504.676 5.155 50 30 KKEARN COc1ccc(/C(C)=N\OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000097968547 553933199 /nfs/dbraw/zinc/93/31/99/553933199.db2.gz ZGVWXRAWKGPHEX-NHXQZRDHSA-N 0 0 554.650 7.130 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccccc4)CC(=O)C3[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000033355182 553933464 /nfs/dbraw/zinc/93/34/64/553933464.db2.gz GDWRRQJYZYAPDD-FLASPHMUSA-N 0 0 639.546 7.689 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000033355157 553933485 /nfs/dbraw/zinc/93/34/85/553933485.db2.gz PMUDFSVPVBNISF-RBTNQOKQSA-N 0 0 532.562 6.714 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)Nc4ccc(/C=C/C(=O)c5ccccc5)cc4)c2)C3=O)cc1)c1ccccc1 ZINC000097968578 553933491 /nfs/dbraw/zinc/93/34/91/553933491.db2.gz VXEVPQYUEAJYRW-BFNWXZRRSA-N 0 0 721.769 8.784 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Nc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968582 553933534 /nfs/dbraw/zinc/93/35/34/553933534.db2.gz CZGIWVIMDYDUEV-QCGHMPDESA-N 0 0 598.937 5.810 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097968590 553933786 /nfs/dbraw/zinc/93/37/86/553933786.db2.gz LOZPPEOLENJMHW-UCSRTCPSSA-N 0 0 552.052 5.686 50 30 KKEARN COc1c(Br)cc(Br)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000033355298 553933917 /nfs/dbraw/zinc/93/39/17/553933917.db2.gz ZZZZSFQBJHLEQI-UJOWUYHQSA-N 0 0 524.028 6.241 50 30 KKEARN CC1C/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1 ZINC000097968641 553933981 /nfs/dbraw/zinc/93/39/81/553933981.db2.gz SAPRTJFFVMEJDC-PWDIZTEBSA-N 0 0 558.288 10.286 50 30 KKEARN Cc1cccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)c1 ZINC000097968748 553934011 /nfs/dbraw/zinc/93/40/11/553934011.db2.gz OGKSXKWYXUMLEQ-UGLHAUBZSA-N 0 0 538.028 5.912 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000097968709 553934018 /nfs/dbraw/zinc/93/40/18/553934018.db2.gz KJWDKYAIGRXSSN-LRHGWQCTSA-N 0 0 561.277 6.304 50 30 KKEARN CCCC[S@@](=O)C[C@@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000033355417 553934747 /nfs/dbraw/zinc/93/47/47/553934747.db2.gz HKYCPOWLUUINRA-MNAQKMTRSA-N 0 0 529.525 6.052 50 30 KKEARN C[C@@H](NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000097968960 553935173 /nfs/dbraw/zinc/93/51/73/553935173.db2.gz KKDTZQYHBFWITR-JMDLKPCMSA-N 0 0 585.607 5.558 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968986 553935455 /nfs/dbraw/zinc/93/54/55/553935455.db2.gz BSLZHWHMYYQGRE-RUZDIDTESA-N 0 0 576.627 5.512 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968985 553935474 /nfs/dbraw/zinc/93/54/74/553935474.db2.gz BSLZHWHMYYQGRE-VWLOTQADSA-N 0 0 576.627 5.512 50 30 KKEARN Cc1cc(C)nc(Sc2ccc3nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n3n2)n1 ZINC000033355546 553935501 /nfs/dbraw/zinc/93/55/01/553935501.db2.gz PUZWJJVOHWYICU-UHFFFAOYSA-N 0 0 576.342 5.878 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCNc3ccc([N+](=O)[O-])cn3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000033355558 553935517 /nfs/dbraw/zinc/93/55/17/553935517.db2.gz VTKZESAJMKIDCA-VQCROAMASA-N 0 0 583.070 5.504 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000097969053 553936270 /nfs/dbraw/zinc/93/62/70/553936270.db2.gz WXPSUKSXZMXJDP-AREMUKBSSA-N 0 0 561.506 5.637 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097969118 553936630 /nfs/dbraw/zinc/93/66/30/553936630.db2.gz NNTGAVYNNWRASO-WJOKGBTCSA-N 0 0 570.686 5.273 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969152 553936857 /nfs/dbraw/zinc/93/68/57/553936857.db2.gz TYMNZXQCKWJBOY-GDLZYMKVSA-N 0 0 624.759 7.596 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969153 553936919 /nfs/dbraw/zinc/93/69/19/553936919.db2.gz TYMNZXQCKWJBOY-LJAQVGFWSA-N 0 0 624.759 7.596 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097969177 553937296 /nfs/dbraw/zinc/93/72/96/553937296.db2.gz LHNZIVSRQHGGMV-HKBQPEDESA-N 0 0 604.684 7.046 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969156 553937333 /nfs/dbraw/zinc/93/73/33/553937333.db2.gz ARVUTJUCXDOALP-WRHNGFHOSA-N 0 0 570.667 6.508 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969181 553937416 /nfs/dbraw/zinc/93/74/16/553937416.db2.gz DZOSDCCNZQUXFW-DWXRJYCRSA-N 0 0 590.698 6.159 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969210 553937846 /nfs/dbraw/zinc/93/78/46/553937846.db2.gz BJFITNPNICJEEC-JBEBIEQOSA-N 0 0 607.482 6.188 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969211 553937855 /nfs/dbraw/zinc/93/78/55/553937855.db2.gz BJFITNPNICJEEC-SHACYNPGSA-N 0 0 607.482 6.188 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969230 553938211 /nfs/dbraw/zinc/93/82/11/553938211.db2.gz MVBXKLXOAIEODF-HKBQPEDESA-N 0 0 578.750 8.663 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969223 553938401 /nfs/dbraw/zinc/93/84/01/553938401.db2.gz QXRKLODPIHWLMY-JWIGPWBQSA-N 0 0 591.085 6.853 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969318 553939732 /nfs/dbraw/zinc/93/97/32/553939732.db2.gz YUAOKSKFRFCXMM-LDLUVENISA-N 0 0 600.693 6.599 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000097969425 553940838 /nfs/dbraw/zinc/94/08/38/553940838.db2.gz MKZLTFDGSXLVAK-HWWBKSCNSA-N 0 0 608.661 9.908 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000097969475 553941523 /nfs/dbraw/zinc/94/15/23/553941523.db2.gz WMPSTARILJXKMD-SANMLTNESA-N 0 0 550.449 5.951 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097969486 553941534 /nfs/dbraw/zinc/94/15/34/553941534.db2.gz FQIPULHHJCYWLI-XIFFEERXSA-N 0 0 593.805 8.772 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000097969536 553941938 /nfs/dbraw/zinc/94/19/38/553941938.db2.gz VGZMDPAGXGHGCR-SANMLTNESA-N 0 0 561.506 5.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1 ZINC000097969549 553942181 /nfs/dbraw/zinc/94/21/81/553942181.db2.gz OQRAPYFQJBVQRM-PMERELPUSA-N 0 0 627.620 9.417 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097969551 553942241 /nfs/dbraw/zinc/94/22/41/553942241.db2.gz OJPIDZCBZYACLQ-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969580 553942592 /nfs/dbraw/zinc/94/25/92/553942592.db2.gz VNRUWBAMHCCOSQ-ICACTRECSA-N 0 0 626.775 7.987 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969630 553942921 /nfs/dbraw/zinc/94/29/21/553942921.db2.gz VNOLUFFCOHFMTP-ACSYHNTCSA-N 0 0 568.695 7.280 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969628 553942959 /nfs/dbraw/zinc/94/29/59/553942959.db2.gz VNOLUFFCOHFMTP-AFJIDDCJSA-N 0 0 568.695 7.280 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969658 553943346 /nfs/dbraw/zinc/94/33/46/553943346.db2.gz SKXFWEJXRCDMKE-XRHLQHRESA-N 0 0 620.724 6.168 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969635 553943505 /nfs/dbraw/zinc/94/35/05/553943505.db2.gz ACJNYJQJTNARRZ-DLUDVSRJSA-N 0 0 563.031 6.073 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097969632 553943531 /nfs/dbraw/zinc/94/35/31/553943531.db2.gz WXXOOPIWBHINHL-HHHXNRCGSA-N 0 0 556.640 6.373 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000097969748 553944073 /nfs/dbraw/zinc/94/40/73/553944073.db2.gz OCLRQRGDRPXFQI-KVSWJAHQSA-N 0 0 532.836 7.444 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969821 553945498 /nfs/dbraw/zinc/94/54/98/553945498.db2.gz CTEFDNGIPHSPPD-LDLUVENISA-N 0 0 600.693 6.599 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969815 553945658 /nfs/dbraw/zinc/94/56/58/553945658.db2.gz XOHKPPDYFSDTPN-PRAQEBQASA-N 0 0 598.721 7.207 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000097969870 553946572 /nfs/dbraw/zinc/94/65/72/553946572.db2.gz NPFCICMACHFHJY-HKBQPEDESA-N 0 0 552.199 9.708 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969908 553946967 /nfs/dbraw/zinc/94/69/67/553946967.db2.gz VVECYNPUMUNUOT-LBEKAKSKSA-N 0 0 619.139 7.634 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000097969917 553946984 /nfs/dbraw/zinc/94/69/84/553946984.db2.gz DECNLRJXCRJBOW-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097969939 553947333 /nfs/dbraw/zinc/94/73/33/553947333.db2.gz GYKLCLJWQOEHGC-HHHXNRCGSA-N 0 0 582.678 6.607 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969978 553947759 /nfs/dbraw/zinc/94/77/59/553947759.db2.gz BBOKVUNJXFWJAH-ADSBAMQRSA-N 0 0 614.720 6.989 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969972 553947843 /nfs/dbraw/zinc/94/78/43/553947843.db2.gz HPIFBDUJHKNDTA-WZQKQDCOSA-N 0 0 558.612 5.428 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970002 553948222 /nfs/dbraw/zinc/94/82/22/553948222.db2.gz PBSJQHLTLPOXDS-KCEHZKJRSA-N 0 0 602.712 7.598 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970071 553948987 /nfs/dbraw/zinc/94/89/87/553948987.db2.gz ANSKROOFOOKZOM-ADXZGYQBSA-N 0 0 584.694 6.980 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970063 553949099 /nfs/dbraw/zinc/94/90/99/553949099.db2.gz ODYGJAOXOGXNQP-LMKMVOKYSA-N 0 0 590.654 5.308 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970099 553949542 /nfs/dbraw/zinc/94/95/42/553949542.db2.gz FVHNFIAVIYRGIR-SSEXGKCCSA-N 0 0 614.720 7.045 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970181 553950423 /nfs/dbraw/zinc/95/04/23/553950423.db2.gz AQUGOHYNMIRTIO-WRONEBCDSA-N 0 0 646.762 6.724 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000033357735 553950668 /nfs/dbraw/zinc/95/06/68/553950668.db2.gz RMPFRCRCXFLKPF-URAOTHONSA-N 0 0 588.060 6.574 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000033357736 553950679 /nfs/dbraw/zinc/95/06/79/553950679.db2.gz RMPFRCRCXFLKPF-IIMAJNMQSA-N 0 0 588.060 6.574 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccs2)cc1 ZINC000033357740 553950715 /nfs/dbraw/zinc/95/07/15/553950715.db2.gz FIHHWRFCBVPIIH-XBBWARJSSA-N 0 0 530.646 5.774 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970210 553950937 /nfs/dbraw/zinc/95/09/37/553950937.db2.gz WIYCYUVWPIOKAT-MRDQGFSESA-N 0 0 606.697 5.922 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970231 553951177 /nfs/dbraw/zinc/95/11/77/553951177.db2.gz LTNACNCZOCISHR-HKBQPEDESA-N 0 0 595.652 5.301 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000097970263 553951732 /nfs/dbraw/zinc/95/17/32/553951732.db2.gz WHBYEBCKRDNNND-VPUKRXIYSA-N 0 0 567.281 8.098 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970354 553952912 /nfs/dbraw/zinc/95/29/12/553952912.db2.gz FEDSZVVEADCJKH-CLYVBNDRSA-N 0 0 601.725 7.199 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970352 553952940 /nfs/dbraw/zinc/95/29/40/553952940.db2.gz SNEZQPHPIPIDLK-AREMUKBSSA-N 0 0 558.612 5.648 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097970397 553953219 /nfs/dbraw/zinc/95/32/19/553953219.db2.gz VOAKPGBMCMJGTG-PMERELPUSA-N 0 0 557.643 5.712 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970381 553953417 /nfs/dbraw/zinc/95/34/17/553953417.db2.gz SQHOOHGSQFWUEC-SSEXGKCCSA-N 0 0 636.770 7.762 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097970456 553954057 /nfs/dbraw/zinc/95/40/57/553954057.db2.gz DVZQKZSZJCBIRD-JGCGQSQUSA-N 0 0 563.779 8.763 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(I)cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000033358351 553954755 /nfs/dbraw/zinc/95/47/55/553954755.db2.gz RFXJAJMYMNVHHM-CAJWKFQMSA-N 0 0 649.938 6.165 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000033358343 553954812 /nfs/dbraw/zinc/95/48/12/553954812.db2.gz TXMWSZQUSJEHHI-WRQBUUCKSA-N 0 0 561.969 6.248 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970561 553955871 /nfs/dbraw/zinc/95/58/71/553955871.db2.gz WVZLPLTUQGKEBL-SSEXGKCCSA-N 0 0 550.611 5.765 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970552 553955939 /nfs/dbraw/zinc/95/59/39/553955939.db2.gz DUIUSWNCWUHUMV-IZHWHUGBSA-N 0 0 578.643 5.142 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970560 553955964 /nfs/dbraw/zinc/95/59/64/553955964.db2.gz WVZLPLTUQGKEBL-PMERELPUSA-N 0 0 550.611 5.765 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970568 553955976 /nfs/dbraw/zinc/95/59/76/553955976.db2.gz FSZLIGBAXAQBIQ-SONOPUAISA-N 0 0 584.694 6.899 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970600 553956428 /nfs/dbraw/zinc/95/64/28/553956428.db2.gz LQEAFIDGTJGIRF-ADSBAMQRSA-N 0 0 614.720 6.989 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970628 553956832 /nfs/dbraw/zinc/95/68/32/553956832.db2.gz DUOMMFJASQHQCP-BGOLNKOXSA-N 0 0 666.752 6.878 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970621 553956885 /nfs/dbraw/zinc/95/68/85/553956885.db2.gz GUKXCQXNWWDRCV-AREMUKBSSA-N 0 0 560.628 5.812 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970694 553957487 /nfs/dbraw/zinc/95/74/87/553957487.db2.gz FEXZMXFDWHMTQM-WRHNGFHOSA-N 0 0 604.725 6.584 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970677 553957527 /nfs/dbraw/zinc/95/75/27/553957527.db2.gz DFQQALJUILUIJC-XGCWNURASA-N 0 0 556.640 6.200 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970703 553957634 /nfs/dbraw/zinc/95/76/34/553957634.db2.gz UJSDQAAKPRUHAN-ODCWNRFASA-N 0 0 562.644 5.558 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000097970745 553958231 /nfs/dbraw/zinc/95/82/31/553958231.db2.gz NSVDDOQDFUMKQT-JGCGQSQUSA-N 0 0 581.241 9.466 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970754 553958257 /nfs/dbraw/zinc/95/82/57/553958257.db2.gz WFUINECHQVUGTF-PMERELPUSA-N 0 0 590.657 7.260 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097970752 553958354 /nfs/dbraw/zinc/95/83/54/553958354.db2.gz FITVUTYSXUATKF-DEOSSOPVSA-N 0 0 563.473 6.776 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097970895 553959277 /nfs/dbraw/zinc/95/92/77/553959277.db2.gz QZZXOJKQLQKOKP-YTTGMZPUSA-N 0 0 598.224 9.417 50 30 KKEARN CC(C)(C)c1cc(Sc2c(F)c(F)nc(N=NCc3cccc(F)c3)c2F)cc(C(C)(C)C)c1O ZINC000033428848 553959567 /nfs/dbraw/zinc/95/95/67/553959567.db2.gz WJFXHVZZBDDBSZ-AAPHRLRXSA-N 0 0 505.581 7.536 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccccc1Cl ZINC000097970993 553960309 /nfs/dbraw/zinc/96/03/09/553960309.db2.gz NRWZBFDRRHAHOM-PMERELPUSA-N 0 0 617.068 10.162 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097971013 553960507 /nfs/dbraw/zinc/96/05/07/553960507.db2.gz QSVVUXYLIFCXQN-NHRFMIRVSA-N 0 0 575.661 6.766 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000097971021 553960559 /nfs/dbraw/zinc/96/05/59/553960559.db2.gz QCJYYMFPYGRORH-GHRAFVERSA-N 0 0 576.649 6.161 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=O)N=C4SC(C(C)C)=NN4C3=N)cc2)c(OC)c1 ZINC000033459249 553960777 /nfs/dbraw/zinc/96/07/77/553960777.db2.gz IYTFHYUGNMPDIW-NHQDZBNKSA-N 0 0 504.612 5.157 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCC)C2=O)cc1C ZINC000033516564 553961552 /nfs/dbraw/zinc/96/15/52/553961552.db2.gz CQXRVQJHAYWPLF-XIEYBQDHSA-N 0 0 503.693 6.804 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000097971851 553963138 /nfs/dbraw/zinc/96/31/38/553963138.db2.gz CVPGLMXPMJIZIW-BHBYDHKZSA-N 0 0 511.618 7.064 50 30 biogenic KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000033660743 553966772 /nfs/dbraw/zinc/96/67/72/553966772.db2.gz IANLMMSZNQCCOB-LSCGWGKXSA-N 0 0 519.711 6.806 50 30 KKEARN O=[N+]([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097972963 553967774 /nfs/dbraw/zinc/96/77/74/553967774.db2.gz HZAPZVCADBLHFV-UHFFFAOYSA-N 0 0 547.083 6.203 50 30 KKEARN N=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000033718418 553970105 /nfs/dbraw/zinc/97/01/05/553970105.db2.gz CEAWRYPPVSRNKH-UHFFFAOYSA-N 0 0 503.786 6.042 50 30 KKEARN O=C(c1cccc(C#Cc2cccc(Oc3ccccc3)c2)c1)c1cccc(C#Cc2cccc(Oc3ccccc3)c2)c1 ZINC000097976894 553973085 /nfs/dbraw/zinc/97/30/85/553973085.db2.gz QPVWDHUXFPRDJN-UHFFFAOYSA-N 0 0 566.656 9.302 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000097976987 553973598 /nfs/dbraw/zinc/97/35/98/553973598.db2.gz FRARYUNXAAWPBM-OAQYLSRUSA-N 0 0 518.784 8.919 50 30 KKEARN O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)Oc3ccc4ccccc4c3)ccc1-2 ZINC000097976966 553973626 /nfs/dbraw/zinc/97/36/26/553973626.db2.gz DLVLZIRAQGKTQM-UHFFFAOYSA-N 0 0 682.779 8.373 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097976989 553973712 /nfs/dbraw/zinc/97/37/12/553973712.db2.gz VTUCJSOONHMIQQ-JOCHJYFZSA-N 0 0 589.817 8.607 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000033930691 553977087 /nfs/dbraw/zinc/97/70/87/553977087.db2.gz PHSTUHDROAUBFG-IOPIDLMNSA-N 0 0 535.637 5.424 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000033930693 553977385 /nfs/dbraw/zinc/97/73/85/553977385.db2.gz PHSTUHDROAUBFG-NYNMPNIZSA-N 0 0 535.637 5.424 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000033937910 553979773 /nfs/dbraw/zinc/97/97/73/553979773.db2.gz XXPVSTVFAJDNET-LVBKAMOWSA-N 0 0 523.683 7.067 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)sc3C(C)(C)C2)cc1 ZINC000097979531 553980296 /nfs/dbraw/zinc/98/02/96/553980296.db2.gz MGQNWTBSDFYDAK-VAWYXSNFSA-N 0 0 681.836 7.417 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1C ZINC000034107883 553980650 /nfs/dbraw/zinc/98/06/50/553980650.db2.gz KKKKMKLMGJPGET-JJIBRWJFSA-N 0 0 505.665 5.650 50 30 KKEARN COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000097979694 553981360 /nfs/dbraw/zinc/98/13/60/553981360.db2.gz IPECJXMNADMARV-LUPSEXQWSA-N 0 0 559.666 7.060 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)CSc4nnc(-c5cccc(C)c5)n4[C@@H]4CCCC[C@H]4C)sc3C(C)(C)C2)cc1 ZINC000097980071 553984890 /nfs/dbraw/zinc/98/48/90/553984890.db2.gz FKLZEVBUKJGGQV-NYNSMEOBSA-N 0 0 677.940 9.846 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097981615 553995746 /nfs/dbraw/zinc/99/57/46/553995746.db2.gz NDZKCUMCWHKVEX-UHFFFAOYSA-N 0 0 546.389 7.404 50 30 KKEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000097982611 554003962 /nfs/dbraw/zinc/00/39/62/554003962.db2.gz QZRAMDUOQZJUGL-DEOSSOPVSA-N 0 0 555.557 5.290 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(F)c1)C(Cl)(Cl)Cl ZINC000097982972 554006842 /nfs/dbraw/zinc/00/68/42/554006842.db2.gz JTOSLEGTIBDUPP-VWLOTQADSA-N 0 0 583.085 9.186 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097983018 554006996 /nfs/dbraw/zinc/00/69/96/554006996.db2.gz UBRMKNZZSWNKHJ-VWLOTQADSA-N 0 0 565.095 9.047 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000097983035 554007242 /nfs/dbraw/zinc/00/72/42/554007242.db2.gz YKWCVMVOILWUHR-RUZDIDTESA-N 0 0 599.540 9.700 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000097983065 554007412 /nfs/dbraw/zinc/00/74/12/554007412.db2.gz JIULYQVRGWPRKJ-VWLOTQADSA-N 0 0 584.898 9.935 50 30 KKEARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)[C@@H](C)C1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813310 554011036 /nfs/dbraw/zinc/01/10/36/554011036.db2.gz ASWWPEGCLKBRAH-KRWDZBQOSA-N 0 0 520.511 5.616 50 30 KKEARN COc1ccccc1-c1cc(C(=O)N(CCC#N)Cc2cccnc2)nc2c(-c3ccccc3)c(C)nn21 ZINC000034833069 554018291 /nfs/dbraw/zinc/01/82/91/554018291.db2.gz QMVSOEHAOLFUDR-UHFFFAOYSA-N 0 0 502.578 5.331 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000097985136 554021077 /nfs/dbraw/zinc/02/10/77/554021077.db2.gz KNRNBDWYRDIYMR-UHFFFAOYSA-N 0 0 618.377 5.372 50 30 KKEARN COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000034865527 554022063 /nfs/dbraw/zinc/02/20/63/554022063.db2.gz FNVPOEKAGVYYQS-AKWGVZKHSA-N 0 0 517.585 6.033 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097994901 554033063 /nfs/dbraw/zinc/03/30/63/554033063.db2.gz HZSCLISTGBRVSQ-PMERELPUSA-N 0 0 559.839 9.827 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCCCCCCCC)cc4)cc3)cc2)cc1 ZINC000097996998 554039277 /nfs/dbraw/zinc/03/92/77/554039277.db2.gz RETVSSNMNNJMGF-WRFCJWBBSA-N 0 0 632.889 12.459 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cc(Br)ccc3OC)C(=O)O2)cc1 ZINC000097997734 554040256 /nfs/dbraw/zinc/04/02/56/554040256.db2.gz MFABGBOJBXKWJO-CLCOLTQESA-N 0 0 514.460 7.322 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000097997747 554040305 /nfs/dbraw/zinc/04/03/05/554040305.db2.gz DQKPHXXQJDKGCP-YTTGMZPUSA-N 0 0 565.795 8.220 50 30 biogenic KKEARN CCCCCCCCCCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OCCCCCCCCCC)cc3)C2)cc1 ZINC000097997811 554040531 /nfs/dbraw/zinc/04/05/31/554040531.db2.gz SXVDNBFXHFXGMH-KITMLLGZSA-N 0 0 636.965 12.746 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000097999488 554043422 /nfs/dbraw/zinc/04/34/22/554043422.db2.gz WQXOZFWSVBEZPH-MFMCTBQISA-N 0 0 646.851 9.847 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000097999533 554043733 /nfs/dbraw/zinc/04/37/33/554043733.db2.gz YILNJXSUBSYVEX-IUDBTDONSA-N 0 0 583.556 8.992 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCCC)cc2)cc1 ZINC000097999606 554044338 /nfs/dbraw/zinc/04/43/38/554044338.db2.gz WWSOKLWGOACFKZ-SMCANUKXSA-N 0 0 561.520 8.215 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@H]21 ZINC000035369323 554044827 /nfs/dbraw/zinc/04/48/27/554044827.db2.gz GHPFPMADBAZKRL-DAMQTCOWSA-N 0 0 513.981 5.164 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097999746 554045683 /nfs/dbraw/zinc/04/56/83/554045683.db2.gz KVFGNMQCZMIODP-SNFDCCKOSA-N 0 0 649.187 8.637 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000097999801 554045916 /nfs/dbraw/zinc/04/59/16/554045916.db2.gz CEZRSJBMXRYZSG-FEERPNRMSA-N 0 0 677.119 8.789 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000097999796 554045950 /nfs/dbraw/zinc/04/59/50/554045950.db2.gz RTCUDCAEILXUHW-ZMQZVXGPSA-N 0 0 775.298 9.567 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000097999802 554045977 /nfs/dbraw/zinc/04/59/77/554045977.db2.gz CEZRSJBMXRYZSG-YQPGIBNTSA-N 0 0 677.119 8.789 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999808 554046215 /nfs/dbraw/zinc/04/62/15/554046215.db2.gz PJFQQNJBNZRYTK-AYAMJOBCSA-N 0 0 623.149 8.247 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000097999945 554047163 /nfs/dbraw/zinc/04/71/63/554047163.db2.gz RTWCOTOMJPDXRE-JSVDNDDVSA-N 0 0 596.506 8.187 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3nc4ccc(Nc5c(C)cc(C)cc5C)c5c4c(n3)-c3ccccc3C5=O)cc2)cc1 ZINC000098000173 554048961 /nfs/dbraw/zinc/04/89/61/554048961.db2.gz VLSCHZLZNZWKCQ-UHFFFAOYSA-N 0 0 629.848 11.747 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098000196 554049320 /nfs/dbraw/zinc/04/93/20/554049320.db2.gz FTJCXRGRUGDRIP-BNHRFMORSA-N 0 0 553.489 8.516 50 30 KKEARN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000098000319 554050200 /nfs/dbraw/zinc/05/02/00/554050200.db2.gz ZONZGPCOAPCOMI-ADXZGYQBSA-N 0 0 563.868 8.454 50 30 KKEARN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000098000320 554050323 /nfs/dbraw/zinc/05/03/23/554050323.db2.gz ZONZGPCOAPCOMI-SONOPUAISA-N 0 0 563.868 8.454 50 30 KKEARN CCCCCCCCCCCCCCCCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000098001175 554051533 /nfs/dbraw/zinc/05/15/33/554051533.db2.gz RPVZINPCPZLVAS-UHFFFAOYSA-N 0 0 561.279 11.823 50 30 KKEARN CCN(CC)C(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001190 554051828 /nfs/dbraw/zinc/05/18/28/554051828.db2.gz TZYKBLFRDYPSPL-CYBMUJFWSA-N 0 0 504.296 5.142 50 30 KKEARN O=C(Nc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000098001224 554051844 /nfs/dbraw/zinc/05/18/44/554051844.db2.gz TWRBBFWMXWNYQA-UHFFFAOYSA-N 0 0 545.183 5.138 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(I)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000098001229 554051925 /nfs/dbraw/zinc/05/19/25/554051925.db2.gz YDRYCPLJQVNOPY-AFUMVMLFSA-N 0 0 582.362 5.326 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000098001528 554052793 /nfs/dbraw/zinc/05/27/93/554052793.db2.gz YTTUUFYAEHRYSD-UHFFFAOYSA-N 0 0 515.654 7.279 50 30 biogenic KKEARN CCCCCCCCCc1nc2ccc(-c3ccc4nc(CCCCCCCCC)oc(=O)c4c3)cc2c(=O)o1 ZINC000098002759 554054514 /nfs/dbraw/zinc/05/45/14/554054514.db2.gz ODENFJLIAJBQAR-UHFFFAOYSA-N 0 0 544.736 8.943 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3ccc(Br)c([N+](=O)[O-])c3)nc(N3CCOCC3)n2)cc1Cl ZINC000098002754 554054540 /nfs/dbraw/zinc/05/45/40/554054540.db2.gz RCHZZCZJXWPCTI-OPEKNORGSA-N 0 0 626.697 5.293 50 30 KKEARN CSC(=O)c1c(CC(C)C)c(C(=O)SC(=O)c2c(CC(C)C)c(C(=O)SC)c(C(F)F)nc2C(F)(F)F)c(C(F)(F)F)nc1C(F)F ZINC000098002765 554054733 /nfs/dbraw/zinc/05/47/33/554054733.db2.gz YOOUQCIEMPIVSM-UHFFFAOYSA-N 0 0 740.707 9.507 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000098003654 554055786 /nfs/dbraw/zinc/05/57/86/554055786.db2.gz BMXZJXFLGGNFJG-KSXAPKRDSA-N 0 0 689.639 10.186 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO ZINC000098005144 554057196 /nfs/dbraw/zinc/05/71/96/554057196.db2.gz MUWZMPRFSQZJBA-QQJNOOCOSA-N 0 0 569.743 6.169 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000098006315 554061119 /nfs/dbraw/zinc/06/11/19/554061119.db2.gz HWMKFQDAPXFSEQ-SFHVURJKSA-N 0 0 555.081 6.556 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000098006316 554061179 /nfs/dbraw/zinc/06/11/79/554061179.db2.gz HWMKFQDAPXFSEQ-GOSISDBHSA-N 0 0 555.081 6.556 50 30 KKEARN Cc1ccc(C(=O)Nc2sc(N=NCc3cccc(Oc4ccccc4)c3)nc2-c2ccccc2)cc1 ZINC000035681840 554062885 /nfs/dbraw/zinc/06/28/85/554062885.db2.gz HOVJWZQCCAKWRV-AJBULDERSA-N 0 0 504.615 7.609 50 30 KKEARN C=CCn1c(Sc2cc(C#N)c(C#N)cc2Sc2nnc(-c3cccs3)n2CC=C)nnc1-c1cccs1 ZINC000098007320 554063527 /nfs/dbraw/zinc/06/35/27/554063527.db2.gz QZFILQZGRZLUGM-UHFFFAOYSA-N 0 0 570.754 6.744 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000098007373 554063777 /nfs/dbraw/zinc/06/37/77/554063777.db2.gz ISIAAVCDCSSISB-ILLIAVPXSA-N 0 0 597.636 5.763 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCN(c3ccc(F)cc3)CC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000098007924 554064822 /nfs/dbraw/zinc/06/48/22/554064822.db2.gz REDLNMWYGSLDET-YTTGMZPUSA-N 0 0 607.557 7.098 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C(=O)Nc1nccs1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008046 554065736 /nfs/dbraw/zinc/06/57/36/554065736.db2.gz FSWZJXXIUBHOLN-OAQYLSRUSA-N 0 0 533.585 5.246 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C)C(=O)C[C@H]2c1cccc(Cl)c1Cl ZINC000098008130 554066270 /nfs/dbraw/zinc/06/62/70/554066270.db2.gz VQAYHCKYFDZTCL-DGUDUIIESA-N 0 0 554.495 7.074 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3Cl)csc2nc1SCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000098009731 554070836 /nfs/dbraw/zinc/07/08/36/554070836.db2.gz KQYFCTGPAAAJCT-UHFFFAOYSA-N 0 0 601.178 7.972 50 30 KKEARN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000035760869 554070889 /nfs/dbraw/zinc/07/08/89/554070889.db2.gz KXSMKVOAVHOYDQ-UHFFFAOYSA-N 0 0 523.637 5.181 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000098010663 554073218 /nfs/dbraw/zinc/07/32/18/554073218.db2.gz TUCWQXLQUNPZAY-UHFFFAOYSA-N 0 0 553.566 6.280 50 30 KKEARN N#Cc1cccc(NC(=O)N2CCN(c3nc(Cc4ccccc4)nc4sc5c(c43)CCCC5)CC2)c1 ZINC000035867154 554084441 /nfs/dbraw/zinc/08/44/41/554084441.db2.gz OJDAVIHWFKVSPW-UHFFFAOYSA-N 0 0 508.651 5.387 50 30 KKEARN COc1cc(-c2c3c(N)c(C(=O)c4ccc(Br)cc4)sc3nc(N)c2C#N)cc(OC)c1OC ZINC000035943834 554101775 /nfs/dbraw/zinc/10/17/75/554101775.db2.gz STXBBCINAQQBLV-UHFFFAOYSA-N 0 0 539.411 5.019 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccco1 ZINC000098016906 554104720 /nfs/dbraw/zinc/10/47/20/554104720.db2.gz ROBAHQKAZRUCCV-UHFFFAOYSA-N 0 0 530.644 6.989 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2ccc(C)cc2)s1)[C@@H](C)c1ccccc1 ZINC000098016934 554104747 /nfs/dbraw/zinc/10/47/47/554104747.db2.gz GEKHSUSQZMCHEA-QHCPKHFHSA-N 0 0 506.716 7.183 50 30 KKEARN CCCCCCCCC(=O)N(CCCC)CCC(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000098016996 554105284 /nfs/dbraw/zinc/10/52/84/554105284.db2.gz YIECNYWHANHEER-UHFFFAOYSA-N 0 0 512.642 6.932 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)CCc1ccc(OC)c(OC)c1 ZINC000098017032 554105601 /nfs/dbraw/zinc/10/56/01/554105601.db2.gz DZSMIFLFHSWRIF-UHFFFAOYSA-N 0 0 624.848 7.552 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035973827 554114854 /nfs/dbraw/zinc/11/48/54/554114854.db2.gz NLJWUDLATOVVSB-QTYTWSNFSA-N 0 0 514.449 6.705 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000035973776 554114897 /nfs/dbraw/zinc/11/48/97/554114897.db2.gz UOTNZHGSFWZXOM-TUQAPMAVSA-N 0 0 505.611 5.416 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000035973758 554114909 /nfs/dbraw/zinc/11/49/09/554114909.db2.gz MHANWIIDIMKKSF-OOFIYHFUSA-N 0 0 503.595 5.324 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3cccs3)C2)cc1 ZINC000098042803 554122384 /nfs/dbraw/zinc/12/23/84/554122384.db2.gz XOIXFHGRDIXCQX-WRGVRERRSA-N 0 0 575.517 8.278 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000098043453 554127358 /nfs/dbraw/zinc/12/73/58/554127358.db2.gz FQUSOGRXIODPRX-UHFFFAOYSA-N 0 0 570.726 8.002 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(N(C(=O)c3cc(Br)ccc3Cl)C(=O)c3cc(Br)ccc3Cl)sc2C1 ZINC000098043552 554128303 /nfs/dbraw/zinc/12/83/03/554128303.db2.gz FAHPWSPHCBKFNV-GFCCVEGCSA-N 0 0 627.185 8.064 50 30 KKEARN N#Cc1c(NC(=O)CCCCCCCC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2 ZINC000098043781 554128618 /nfs/dbraw/zinc/12/86/18/554128618.db2.gz LDSXGKLEMZVQFW-UHFFFAOYSA-N 0 0 536.767 7.399 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(COc3ccc(C#N)cc3)o2)C2=C(CCCC2=O)N1 ZINC000098043780 554128641 /nfs/dbraw/zinc/12/86/41/554128641.db2.gz PCESBNYBAHEURR-HHHXNRCGSA-N 0 0 559.420 5.494 50 30 KKEARN CCCCCCCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000098044973 554130107 /nfs/dbraw/zinc/13/01/07/554130107.db2.gz AQSATYJLFFGOAQ-UHFFFAOYSA-N 0 0 510.678 7.784 50 30 KKEARN CC(C)(C)c1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O ZINC000098045052 554130302 /nfs/dbraw/zinc/13/03/02/554130302.db2.gz WJWYWIMJKJZWTI-WJOKGBTCSA-N 0 0 550.743 8.440 50 30 KKEARN CC(C)(C)C(=O)[C@@H](Oc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(C(F)(F)F)C(F)(F)F)C(=O)Nc1ccccc1 ZINC000098045097 554130672 /nfs/dbraw/zinc/13/06/72/554130672.db2.gz DVCCRFZKPQVZDL-MRXNPFEDSA-N 0 0 647.403 8.267 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc(OC)c1OC ZINC000098045116 554130881 /nfs/dbraw/zinc/13/08/81/554130881.db2.gz NQMXDOJFHFCBJI-PMERELPUSA-N 0 0 554.643 6.106 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000098045527 554132167 /nfs/dbraw/zinc/13/21/67/554132167.db2.gz YBNBMNSKFYNOGI-JPZYQRIQSA-N 0 0 568.004 7.602 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCc3ccccc3)=C(C)NC(C)=C2C(=O)OCc2ccccc2)cc1 ZINC000098046369 554138333 /nfs/dbraw/zinc/13/83/33/554138333.db2.gz MYBLSFRAGUFTDO-UHFFFAOYSA-N 0 0 651.763 7.826 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046452 554138939 /nfs/dbraw/zinc/13/89/39/554138939.db2.gz HXMPTFVDWYGAFX-MUUNZHRXSA-N 0 0 599.778 7.916 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000098046583 554141151 /nfs/dbraw/zinc/14/11/51/554141151.db2.gz GEQQOGRSQWIKER-MUUNZHRXSA-N 0 0 544.604 5.065 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(C)cc2)n1Cc1ccccc1)C(=O)c1cccc(OC)c1 ZINC000036030471 554143285 /nfs/dbraw/zinc/14/32/85/554143285.db2.gz KILHWKGMXNIOAP-UHFFFAOYSA-N 0 0 529.662 5.051 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1ccccc1F ZINC000036030639 554143555 /nfs/dbraw/zinc/14/35/55/554143555.db2.gz CLFHVWXMUGGSFR-UHFFFAOYSA-N 0 0 509.647 5.638 50 30 KKEARN C=CCn1c(CN(CC2CC2)C(=O)c2ccc(Cl)cc2Cl)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031310 554144975 /nfs/dbraw/zinc/14/49/75/554144975.db2.gz JWJPTCHCLKEPTI-UHFFFAOYSA-N 0 0 518.466 5.402 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037422 554146447 /nfs/dbraw/zinc/14/64/47/554146447.db2.gz CSRXMRIKQNNVHE-IMRHEYAYSA-N 0 0 511.615 5.381 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2C)n1Cc1ccccc1)C(=O)c1ccccc1C ZINC000036040382 554149008 /nfs/dbraw/zinc/14/90/08/554149008.db2.gz SIXHNDOISXKGHN-UHFFFAOYSA-N 0 0 513.663 5.351 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047363 554150007 /nfs/dbraw/zinc/15/00/07/554150007.db2.gz QCFZLRLYFWJPMR-NDEPHWFRSA-N 0 0 648.250 8.743 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(F)cc4)cc3)cc(C(F)(F)F)c2C#N)c1 ZINC000098047445 554150928 /nfs/dbraw/zinc/15/09/28/554150928.db2.gz MNPXORNMQUCMQD-UHFFFAOYSA-N 0 0 551.565 7.396 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C)C(=S)Nc1ccc(F)cc1 ZINC000036042907 554151751 /nfs/dbraw/zinc/15/17/51/554151751.db2.gz TWYNIVBBALBSNC-UHFFFAOYSA-N 0 0 521.083 5.615 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccc(Cl)cc1 ZINC000098047571 554152994 /nfs/dbraw/zinc/15/29/94/554152994.db2.gz GTKFXZQKKQGRKN-UHFFFAOYSA-N 0 0 545.413 8.817 50 30 KKEARN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c2C#N)c1 ZINC000098047653 554153914 /nfs/dbraw/zinc/15/39/14/554153914.db2.gz YIGZPDBRGMOPRM-UHFFFAOYSA-N 0 0 582.047 8.219 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047652 554153952 /nfs/dbraw/zinc/15/39/52/554153952.db2.gz PHMWPOLBKBTBIB-UHFFFAOYSA-N 0 0 584.019 7.611 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000098047688 554154379 /nfs/dbraw/zinc/15/43/79/554154379.db2.gz NQWROGBZDQLMPB-QFIPXVFZSA-N 0 0 536.850 5.895 50 30 KKEARN CCCCCCCCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21 ZINC000098047668 554154507 /nfs/dbraw/zinc/15/45/07/554154507.db2.gz SXTYAWCPTGNLGE-UHFFFAOYSA-N 0 0 501.118 8.855 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048035 554158816 /nfs/dbraw/zinc/15/88/16/554158816.db2.gz CJKLLEYDMYMOTL-RBSBEOHCSA-N 0 0 602.684 7.119 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000098048015 554158876 /nfs/dbraw/zinc/15/88/76/554158876.db2.gz YFIWODWKYPPQMG-SANMLTNESA-N 0 0 554.624 6.030 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccc(C)cc1 ZINC000036058170 554160168 /nfs/dbraw/zinc/16/01/68/554160168.db2.gz GOGWQFPSWLYFAK-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cccc(Br)c3)C3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050112 554171972 /nfs/dbraw/zinc/17/19/72/554171972.db2.gz CWKVFXFOBKVFGC-SANMLTNESA-N 0 0 573.443 5.851 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000098050115 554172308 /nfs/dbraw/zinc/17/23/08/554172308.db2.gz MOUOPFXQHMNEDM-MUUNZHRXSA-N 0 0 597.668 6.229 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CCCCCCC)cc3)nc3c(C)cccc23)cc1 ZINC000098050356 554173915 /nfs/dbraw/zinc/17/39/15/554173915.db2.gz HAHIGFFIDLFLFN-UHFFFAOYSA-N 0 0 577.809 10.276 50 30 KKEARN CCCC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C#N)c2)c(O)c1 ZINC000098050361 554174057 /nfs/dbraw/zinc/17/40/57/554174057.db2.gz CHOPPMMJIORSTQ-YTTGMZPUSA-N 0 0 633.233 9.513 50 30 KKEARN CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CC)cc3)nc3ccc(C)cc32)cc1 ZINC000098050382 554174339 /nfs/dbraw/zinc/17/43/39/554174339.db2.gz BZANZPYAKANFFI-UHFFFAOYSA-N 0 0 507.674 8.325 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050471 554174930 /nfs/dbraw/zinc/17/49/30/554174930.db2.gz KZBSIQYRHUYJBS-HOWWCDQJSA-N 0 0 642.634 8.668 50 30 KKEARN O=C(Cc1nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000098176445 554176834 /nfs/dbraw/zinc/17/68/34/554176834.db2.gz XNSDMZLNLTWBGI-SJIPCVTESA-N 0 0 547.699 6.960 50 30 KKEARN CCCC[C@@H]1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000036093501 554177668 /nfs/dbraw/zinc/17/76/68/554177668.db2.gz KFKKKQBDOZDTGA-IZNZCJHFSA-N 0 0 504.450 5.491 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccccc3OCc3ccccc3)c(C)c2)ccc1/N=C/c1ccccc1OCc1ccccc1 ZINC000100004014 554177717 /nfs/dbraw/zinc/17/77/17/554177717.db2.gz FYLCPTYWBKAUPS-GCQSSKKOSA-N 0 0 600.762 10.630 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 ZINC000036116058 554180460 /nfs/dbraw/zinc/18/04/60/554180460.db2.gz YKZMTQUMNPVLGN-QHCPKHFHSA-N 0 0 515.462 5.888 50 30 KKEARN CSc1ccc(/C=N/c2ccc(C3(c4ccc(/N=C/c5ccc(SC)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 ZINC000100010489 554180627 /nfs/dbraw/zinc/18/06/27/554180627.db2.gz BMNKTHLCMWIAKQ-XWSCKCIKSA-N 0 0 616.855 10.995 50 30 KKEARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000100029103 554184137 /nfs/dbraw/zinc/18/41/37/554184137.db2.gz RNSDLMVJKYSMLI-ADJJPVPESA-N 0 0 567.558 5.424 50 30 KKEARN Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5ccc(C)cc5)cc4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000100029885 554184335 /nfs/dbraw/zinc/18/43/35/554184335.db2.gz QQXXEQNYOAHDTO-ZFKGKTMKSA-N 0 0 597.627 8.151 50 30 KKEARN Cc1nn(-c2ccccc2)c(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1-c1cccc(Br)c1 ZINC000100032692 554186849 /nfs/dbraw/zinc/18/68/49/554186849.db2.gz TVFPRUPXFLZCCA-UZWMFBFFSA-N 0 0 536.429 7.580 50 30 KKEARN COc1ccc(/C=N/N=C2/NC(=O)/C(=C/c3cc(Br)ccc3Br)S2)cc1Br ZINC000100038444 554191519 /nfs/dbraw/zinc/19/15/19/554191519.db2.gz PLMFZOUFYLXEAS-OKNMWBDYSA-N 0 0 574.092 5.577 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000100045842 554193522 /nfs/dbraw/zinc/19/35/22/554193522.db2.gz HPWPTXMMPBCRFQ-WCBMZHEXSA-N 0 0 568.183 6.892 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000100045847 554193597 /nfs/dbraw/zinc/19/35/97/554193597.db2.gz HPWPTXMMPBCRFQ-PSASIEDQSA-N 0 0 568.183 6.892 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)Nc1cccc(Cl)c1 ZINC000036122538 554194315 /nfs/dbraw/zinc/19/43/15/554194315.db2.gz KEUIQNCBESUASX-JOCHJYFZSA-N 0 0 526.058 5.635 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)o3)cc2s1)N1CCOCC1 ZINC000100056811 554196733 /nfs/dbraw/zinc/19/67/33/554196733.db2.gz KORWAUMBULBJFQ-VULFUBBASA-N 0 0 552.728 6.352 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)On1c(=O)c2ccccc2nc1-c1ccc(Br)cc1 ZINC000100056895 554196778 /nfs/dbraw/zinc/19/67/78/554196778.db2.gz BXAAXIISNPHFRN-VGOFMYFVSA-N 0 0 526.184 5.257 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000100059998 554197936 /nfs/dbraw/zinc/19/79/36/554197936.db2.gz UWPABDBSYCOIIQ-BYSHTDHBSA-N 0 0 512.609 6.211 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000100060785 554198276 /nfs/dbraw/zinc/19/82/76/554198276.db2.gz QNNKLGKXXUDCHC-UKLZBMPOSA-N 0 0 563.451 6.411 50 30 KKEARN COc1ccc2c(c1)[C@]1(SCCN1C(=O)Nc1cccc(Cl)c1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164192 554199777 /nfs/dbraw/zinc/19/97/77/554199777.db2.gz TVVKTLKLUQBDSZ-SANMLTNESA-N 0 0 504.999 5.201 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2(C=Nc2cccc(Cl)c2Cl)c2ccccc21 ZINC000100066931 554200011 /nfs/dbraw/zinc/20/00/11/554200011.db2.gz PGLWGQQLNAGQAS-BQDOHOHCSA-N 0 0 557.864 7.600 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100076649 554204505 /nfs/dbraw/zinc/20/45/05/554204505.db2.gz RDNRFMJRXXIZHQ-GOXGLGGOSA-N 0 0 553.655 5.947 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100076653 554204528 /nfs/dbraw/zinc/20/45/28/554204528.db2.gz RDNRFMJRXXIZHQ-NLGDKJDOSA-N 0 0 553.655 5.947 50 30 biogenic,in-vitro KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100077349 554205119 /nfs/dbraw/zinc/20/51/19/554205119.db2.gz LVIKTNZIOJIHFG-NYFMKLKXSA-N 0 0 551.683 6.979 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100079602 554206049 /nfs/dbraw/zinc/20/60/49/554206049.db2.gz RTRRAEQXNATUSI-JHOBJCJYSA-N 0 0 588.498 6.571 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100079604 554206063 /nfs/dbraw/zinc/20/60/63/554206063.db2.gz RTRRAEQXNATUSI-YUDQIZAISA-N 0 0 588.498 6.571 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCCc3ccccc3)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000100079766 554206462 /nfs/dbraw/zinc/20/64/62/554206462.db2.gz ICBSAJYGLKXMPW-NDEPHWFRSA-N 0 0 597.703 7.550 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2cc(C)ccc2C(C)C)SC1=S ZINC000100080867 554207041 /nfs/dbraw/zinc/20/70/41/554207041.db2.gz YBALODYNBACSEA-HAHDFKILSA-N 0 0 532.525 6.726 50 30 KKEARN COc1ccc(CCN=C(Nc2cccc(C(F)(F)F)c2)S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000100082679 554207589 /nfs/dbraw/zinc/20/75/89/554207589.db2.gz VEVCYRICYIRONL-XMMPIXPASA-N 0 0 557.594 5.608 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3c(O)ccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000100082801 554207620 /nfs/dbraw/zinc/20/76/20/554207620.db2.gz QMFSYEDDKISPON-BZUZNSEFSA-N 0 0 517.676 6.861 50 30 KKEARN Cc1c(/N=C/c2ccc(O[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000100083387 554207797 /nfs/dbraw/zinc/20/77/97/554207797.db2.gz AUYPCOWVUXJHRC-PKEXHZLISA-N 0 0 537.875 5.472 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C/c3ccc(O)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000036242380 554209708 /nfs/dbraw/zinc/20/97/08/554209708.db2.gz JVIZLLYHZBBVIQ-QDVJMUDCSA-N 0 0 503.838 7.778 50 30 KKEARN O=C1C[C@@H](SC(=NCc2ccc3c(c2)OCO3)Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100089780 554210302 /nfs/dbraw/zinc/21/03/02/554210302.db2.gz UNTRSTVZRRHBNF-JOCHJYFZSA-N 0 0 611.520 6.175 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100103394 554220272 /nfs/dbraw/zinc/22/02/72/554220272.db2.gz PKAZIMLJGRYIMW-YQPGIBNTSA-N 0 0 628.575 9.193 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C=Cc2ccccc2)c1 ZINC000100110467 554221081 /nfs/dbraw/zinc/22/10/81/554221081.db2.gz SGXRQIYAMQBRLL-OJEUXVJWSA-N 0 0 561.081 7.963 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000100109998 554221151 /nfs/dbraw/zinc/22/11/51/554221151.db2.gz DAYVAWMIUVUNQJ-BSMMNNHSSA-N 0 0 610.754 8.385 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000100110971 554221770 /nfs/dbraw/zinc/22/17/70/554221770.db2.gz IGKNWNOTPATKLL-BQPAJTCCSA-N 0 0 564.441 6.711 50 30 KKEARN Cc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000100116084 554223508 /nfs/dbraw/zinc/22/35/08/554223508.db2.gz XWZDQSDJNISCRO-XPPYDUCYSA-N 0 0 534.523 7.793 50 30 KKEARN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Oc2ccccc2)cc1 ZINC000100117596 554224098 /nfs/dbraw/zinc/22/40/98/554224098.db2.gz OCQZLSNNCZTIIB-VRZFZEAUSA-N 0 0 507.033 8.088 50 30 KKEARN N#Cc1c2c(sc1N1c3nc(N)c(C#N)c(N)c3[C@@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCC2 ZINC000036559224 554225632 /nfs/dbraw/zinc/22/56/32/554225632.db2.gz XFCPYQLRUPPEJN-QFIPXVFZSA-N 0 0 510.598 5.359 50 30 KKEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)C[C@H](c2ccccc2)CC1=O ZINC000100140123 554227300 /nfs/dbraw/zinc/22/73/00/554227300.db2.gz NCNPHJFRWXRNSW-VWLOTQADSA-N 0 0 506.646 6.567 50 30 biogenic,in-vitro KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142389 554228559 /nfs/dbraw/zinc/22/85/59/554228559.db2.gz BCVIYZUWSAMFNA-SKCJHTIKSA-N 0 0 545.661 5.383 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142441 554228630 /nfs/dbraw/zinc/22/86/30/554228630.db2.gz IENRVARFXDWPET-MEXAFARESA-N 0 0 549.624 5.214 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100142484 554228884 /nfs/dbraw/zinc/22/88/84/554228884.db2.gz QPKQNCFOXJVCML-XMWFGAJLSA-N 0 0 566.035 5.406 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142469 554228897 /nfs/dbraw/zinc/22/88/97/554228897.db2.gz FGDUMBRRIWHEIL-UCSRTCPSSA-N 0 0 554.043 5.859 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2OC)cc1 ZINC000100142998 554229177 /nfs/dbraw/zinc/22/91/77/554229177.db2.gz TZQBKHSQDKKAEH-QJWGWKRISA-N 0 0 535.600 6.903 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)c1 ZINC000100144031 554229717 /nfs/dbraw/zinc/22/97/17/554229717.db2.gz VGZTTXHEWSSRLT-HFBYFEGMSA-N 0 0 527.568 6.265 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100155831 554232834 /nfs/dbraw/zinc/23/28/34/554232834.db2.gz DUEFDAFIIDPJOJ-AYRHNUGRSA-N 0 0 591.035 5.235 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159286 554233807 /nfs/dbraw/zinc/23/38/07/554233807.db2.gz SCAHLAWCZOTXAT-FOVJLYNBSA-N 0 0 539.719 5.964 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F ZINC000100160321 554234441 /nfs/dbraw/zinc/23/44/41/554234441.db2.gz KNLOUNUTRYARCH-HDYLNDSGSA-N 0 0 624.587 5.600 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000100160481 554234612 /nfs/dbraw/zinc/23/46/12/554234612.db2.gz LIVYZLWPRDTFGB-IEZKXTBUSA-N 0 0 594.561 5.592 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160648 554234614 /nfs/dbraw/zinc/23/46/14/554234614.db2.gz OGKHAUAODJUHJU-PZUNEJSGSA-N 0 0 611.016 6.106 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000100162450 554235612 /nfs/dbraw/zinc/23/56/12/554235612.db2.gz SFBIGGSKRXCZBG-SKBVVQJISA-N 0 0 624.587 5.600 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000100176149 554240630 /nfs/dbraw/zinc/24/06/30/554240630.db2.gz RWKAPPLWDIAOAE-GROPNIIDSA-N 0 0 542.686 7.330 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100179270 554241472 /nfs/dbraw/zinc/24/14/72/554241472.db2.gz ZUGRYEGIWRCDAW-YJGRUCBDSA-N 0 0 617.045 6.167 50 30 KKEARN CCOC(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)C(=O)/C=C\N(C)C ZINC000100207287 554248257 /nfs/dbraw/zinc/24/82/57/554248257.db2.gz WYHNPCHRSVGZSS-KTKRTIGZSA-N 0 0 503.253 6.279 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000100215075 554249773 /nfs/dbraw/zinc/24/97/73/554249773.db2.gz WJUVFHQIWWJYOF-DEOSSOPVSA-N 0 0 531.395 6.185 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OC(C)=O)c(OCC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000100230645 554256483 /nfs/dbraw/zinc/25/64/83/554256483.db2.gz YABNCXKMLZUVIP-CLVAPQHMSA-N 0 0 547.431 6.861 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000100231978 554257271 /nfs/dbraw/zinc/25/72/71/554257271.db2.gz PRLITMUWKQNSDC-AREMUKBSSA-N 0 0 541.003 5.931 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000100233489 554257812 /nfs/dbraw/zinc/25/78/12/554257812.db2.gz DOQPZHFPDDDCJP-IUQJVVIISA-N 0 0 595.515 6.837 50 30 KKEARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1 ZINC000100241259 554260241 /nfs/dbraw/zinc/26/02/41/554260241.db2.gz IRYSAPZKDFWDTM-DHLKQENFSA-N 0 0 588.513 5.766 50 30 KKEARN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000100260368 554265536 /nfs/dbraw/zinc/26/55/36/554265536.db2.gz ZOJXJSHBCLXNQE-JJFYIABZSA-N 0 0 529.445 6.985 50 30 KKEARN CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100262093 554265740 /nfs/dbraw/zinc/26/57/40/554265740.db2.gz KAHPKRQRKWYZBL-UZBQJPDOSA-N 0 0 510.752 6.256 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000100262754 554265771 /nfs/dbraw/zinc/26/57/71/554265771.db2.gz RLLVOCMMZLKONH-OWNKRRAQSA-N 0 0 511.224 7.594 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C2=N)S1 ZINC000100268237 554267921 /nfs/dbraw/zinc/26/79/21/554267921.db2.gz WGZKKMMYVXQDAH-RQYPOUMYSA-N 0 0 527.694 7.008 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C2=N)S1 ZINC000100268228 554268016 /nfs/dbraw/zinc/26/80/16/554268016.db2.gz NOTUSUPHERBUOH-JJEISAMFSA-N 0 0 527.694 7.008 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OC)c(OC)c1 ZINC000100272784 554270318 /nfs/dbraw/zinc/27/03/18/554270318.db2.gz LQTVQWHWTVXUOS-UHFFFAOYSA-N 0 0 553.080 6.387 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000038205355 554274335 /nfs/dbraw/zinc/27/43/35/554274335.db2.gz JWAWBNWTSUPJDF-BNAYCWRJSA-N 0 0 505.611 5.336 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100293510 554285476 /nfs/dbraw/zinc/28/54/76/554285476.db2.gz VNNUFIPWIHOZBX-CVDCTZTESA-N 0 0 586.343 8.205 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000100293501 554285505 /nfs/dbraw/zinc/28/55/05/554285505.db2.gz VNNUFIPWIHOZBX-WMZHIEFXSA-N 0 0 586.343 8.205 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)N(C)C1=S ZINC000100300897 554291095 /nfs/dbraw/zinc/29/10/95/554291095.db2.gz CXTXCDPZWXWDJO-ZDLGFXPLSA-N 0 0 535.261 5.082 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000100302057 554291619 /nfs/dbraw/zinc/29/16/19/554291619.db2.gz NPEVWRUTPSBGLH-CMNXJCJSSA-N 0 0 614.315 6.957 50 30 KKEARN C=C1CN(Cc2ccccc2)C(=O)[C@]12CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O2 ZINC000043762969 554299521 /nfs/dbraw/zinc/29/95/21/554299521.db2.gz QTWDJWDXVIDLGI-TWJUONSBSA-N 0 0 515.653 6.512 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCC[C@H](c2ccccc2)[C@@H]2CC[C@@]3(CCCO3)[C@@]3(CCCO3)C2=O)cc1 ZINC000043763039 554299529 /nfs/dbraw/zinc/29/95/29/554299529.db2.gz DBZRILPBXJYMDR-FUCIELGGSA-N 0 0 512.668 5.342 50 30 KKEARN Cc1ccc(S(=O)(=O)OCCC[C@@H](c2ccccc2)[C@H]2CC[C@@]3(CCCO3)[C@@]3(CCCO3)C2=O)cc1 ZINC000043763040 554299665 /nfs/dbraw/zinc/29/96/65/554299665.db2.gz DBZRILPBXJYMDR-IXGYBEARSA-N 0 0 512.668 5.342 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC000100311521 554300982 /nfs/dbraw/zinc/30/09/82/554300982.db2.gz XPXRHYXVIDDRLQ-UOYDRLAYSA-N 0 0 533.093 7.864 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000100314661 554302433 /nfs/dbraw/zinc/30/24/33/554302433.db2.gz CSRZVSMAGREUFY-UHFFFAOYSA-N 0 0 592.895 5.580 50 30 KKEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000044858959 554305917 /nfs/dbraw/zinc/30/59/17/554305917.db2.gz WLUDVDCRHFSCON-QHCPKHFHSA-N 0 0 505.416 5.864 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100322173 554306403 /nfs/dbraw/zinc/30/64/03/554306403.db2.gz NXQWSBOODUJLAJ-BKUYFWCQSA-N 0 0 529.843 6.582 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000049722718 554324710 /nfs/dbraw/zinc/32/47/10/554324710.db2.gz PEINYWSPPBNITE-NSYGIPOTSA-N 0 0 546.447 5.562 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918056 554327109 /nfs/dbraw/zinc/32/71/09/554327109.db2.gz SXKFJWGUZMQKMG-GOXGLGGOSA-N 0 0 546.598 6.827 50 30 KKEARN N#Cc1c2nc3ccccc3n2c(-c2ccc(Br)cc2)cc1/C=C/c1c(Cl)cccc1Cl ZINC000051103530 554329130 /nfs/dbraw/zinc/32/91/30/554329130.db2.gz MXVIPRRNJQPOAU-JLHYYAGUSA-N 0 0 519.229 8.266 50 30 KKEARN COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(/C=N/c2ccccc2)=C3Sc2ccc(C)cc2)cc1 ZINC000100346457 554330339 /nfs/dbraw/zinc/33/03/39/554330339.db2.gz RZJHHBKPGZBVSQ-XBQJKBNESA-N 0 0 526.705 9.313 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)CCOc1ccc(C)cc1 ZINC000053253832 554330467 /nfs/dbraw/zinc/33/04/67/554330467.db2.gz MMBDJZITPZWWKN-MGBGTMOVSA-N 0 0 534.612 6.600 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348118 554330501 /nfs/dbraw/zinc/33/05/01/554330501.db2.gz CORHQKMGCZEUIH-LVGDFUMNSA-N 0 0 568.095 5.877 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348124 554330544 /nfs/dbraw/zinc/33/05/44/554330544.db2.gz CORHQKMGCZEUIH-IABYKIDSSA-N 0 0 568.095 5.877 50 30 KKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1Br ZINC000053277258 554330648 /nfs/dbraw/zinc/33/06/48/554330648.db2.gz VGEDUHJTOUUPKT-UHFFFAOYSA-N 0 0 526.862 6.865 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000053290010 554331291 /nfs/dbraw/zinc/33/12/91/554331291.db2.gz CQDXQDMOCVHISH-HSZRJFAPSA-N 0 0 535.021 6.367 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291359 554331621 /nfs/dbraw/zinc/33/16/21/554331621.db2.gz UEYPUZXGCMBSNA-XMMPIXPASA-N 0 0 543.557 5.375 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291790 554332086 /nfs/dbraw/zinc/33/20/86/554332086.db2.gz HNOGCPYGXXLIBB-AREMUKBSSA-N 0 0 574.611 5.353 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053305730 554332729 /nfs/dbraw/zinc/33/27/29/554332729.db2.gz GXIBNXCFWYUMKK-JOCHJYFZSA-N 0 0 536.631 5.783 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053306158 554333489 /nfs/dbraw/zinc/33/34/89/554333489.db2.gz LKPHAFWZNUZHDZ-QHCPKHFHSA-N 0 0 549.446 6.467 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000053306397 554333854 /nfs/dbraw/zinc/33/38/54/554333854.db2.gz RSJHOOMZERZSPH-FLASPHMUSA-N 0 0 554.687 7.193 50 30 biogenic KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306335 554333970 /nfs/dbraw/zinc/33/39/70/554333970.db2.gz MAUCDRQOPAYXFT-DEOSSOPVSA-N 0 0 563.473 6.803 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000053306395 554334031 /nfs/dbraw/zinc/33/40/31/554334031.db2.gz RSJHOOMZERZSPH-PVAZPRTOSA-N 0 0 554.687 7.193 50 30 biogenic KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053306771 554334214 /nfs/dbraw/zinc/33/42/14/554334214.db2.gz HNPKNKYDBWRWEB-AREMUKBSSA-N 0 0 544.629 6.112 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000053307017 554334652 /nfs/dbraw/zinc/33/46/52/554334652.db2.gz CQFYQYZEIRGOQV-MQNRADLISA-N 0 0 530.577 5.940 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000053306950 554334811 /nfs/dbraw/zinc/33/48/11/554334811.db2.gz FDGMZIFQGVDEFR-RUZDIDTESA-N 0 0 535.438 6.110 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(C)c3)S/C2=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000100356263 554337117 /nfs/dbraw/zinc/33/71/17/554337117.db2.gz KWDNBJDUJQLZBM-TXBHVNISSA-N 0 0 541.595 6.225 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000053319326 554337200 /nfs/dbraw/zinc/33/72/00/554337200.db2.gz DJIBVXHXDMKLMR-FQEVSTJZSA-N 0 0 535.225 5.621 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053319530 554338601 /nfs/dbraw/zinc/33/86/01/554338601.db2.gz VABLZELVRQNSCG-VKGTZQKMSA-N 0 0 552.652 6.584 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053332480 554339005 /nfs/dbraw/zinc/33/90/05/554339005.db2.gz LWHIMLHRXMWUTF-SANMLTNESA-N 0 0 588.638 5.493 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000053332537 554339054 /nfs/dbraw/zinc/33/90/54/554339054.db2.gz RNJCMLBCIKPKEI-PLTNMMHCSA-N 0 0 572.467 8.739 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334003 554339830 /nfs/dbraw/zinc/33/98/30/554339830.db2.gz OIVIRFWQJWZEHY-DEOSSOPVSA-N 0 0 565.047 6.321 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053333600 554339959 /nfs/dbraw/zinc/33/99/59/554339959.db2.gz GFQUIQMJYATKQI-AREMUKBSSA-N 0 0 542.613 5.866 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334838 554340181 /nfs/dbraw/zinc/34/01/81/554340181.db2.gz MDECOUXBDRFDQN-NDEPHWFRSA-N 0 0 570.667 6.646 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335108 554340578 /nfs/dbraw/zinc/34/05/78/554340578.db2.gz CUFKJRYYJSMKSC-DNOBIOAJSA-N 0 0 540.641 6.500 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000053335619 554340935 /nfs/dbraw/zinc/34/09/35/554340935.db2.gz CXPUNQIOJNZZPD-GDJIYFAZSA-N 0 0 552.696 7.317 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335543 554341003 /nfs/dbraw/zinc/34/10/03/554341003.db2.gz DLVMAFDXCCXOJM-HHHXNRCGSA-N 0 0 572.639 6.038 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000053336965 554342058 /nfs/dbraw/zinc/34/20/58/554342058.db2.gz AEXNIEADEBBHKL-RUZDIDTESA-N 0 0 544.585 5.258 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337397 554342071 /nfs/dbraw/zinc/34/20/71/554342071.db2.gz DDSJNLIMSLPMBL-LJAQVGFWSA-N 0 0 584.694 7.036 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337613 554342398 /nfs/dbraw/zinc/34/23/98/554342398.db2.gz JMHYZDZIJMXVAJ-SANMLTNESA-N 0 0 558.612 5.648 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053338377 554342797 /nfs/dbraw/zinc/34/27/97/554342797.db2.gz LVHQGMSWFNPGNZ-OQRWROFFSA-N 0 0 572.639 5.819 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000053339862 554343851 /nfs/dbraw/zinc/34/38/51/554343851.db2.gz DBORTZYUYVMKJJ-QMTYFTJSSA-N 0 0 526.614 5.974 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354706 554344583 /nfs/dbraw/zinc/34/45/83/554344583.db2.gz UTCDYJPQTOCUSP-HSZRJFAPSA-N 0 0 526.814 6.593 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000053359612 554344930 /nfs/dbraw/zinc/34/49/30/554344930.db2.gz RZVXFMYOFMTGIN-WNSROMTISA-N 0 0 579.096 7.880 50 30 KKEARN COc1cc(Br)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000053360149 554345530 /nfs/dbraw/zinc/34/55/30/554345530.db2.gz RBLNOGDDPSHGLU-OFJJUDJNSA-N 0 0 595.490 6.472 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Cl)OCO3)cc(OC)c1OC ZINC000053359702 554345577 /nfs/dbraw/zinc/34/55/77/554345577.db2.gz UPIZWWQFBASRMW-JMGYQRAPSA-N 0 0 534.996 6.074 50 30 KKEARN COc1ccc2o/c(=N\c3sc4c(c3C#N)CCCC4)c(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1 ZINC000100367109 554353250 /nfs/dbraw/zinc/35/32/50/554353250.db2.gz BEKZFNUEGSITNK-IVQJCJPDSA-N 0 0 523.536 6.757 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@H]3C4=C(NC5=C3C(=O)CC(C)(C)C5)c3ccccc3C4=O)cc2)cc1 ZINC000100415016 554380548 /nfs/dbraw/zinc/38/05/48/554380548.db2.gz KWFWTLYJWSVMSG-HHHXNRCGSA-N 0 0 568.651 5.350 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000100415180 554380824 /nfs/dbraw/zinc/38/08/24/554380824.db2.gz DJXROCSDUAQKDR-XNMGPUDCSA-N 0 0 554.440 6.711 50 30 KKEARN Nc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100454422 554395620 /nfs/dbraw/zinc/39/56/20/554395620.db2.gz ZQTZVMUNYIDMJV-UHFFFAOYSA-N 0 0 511.175 6.735 50 30 KKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000100455030 554395921 /nfs/dbraw/zinc/39/59/21/554395921.db2.gz LTQHEFZECDKIKK-VTJDKEBTSA-N 0 0 528.324 6.650 50 30 KKEARN O=C(Nc1ccc(Br)cc1Br)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000100467854 554398192 /nfs/dbraw/zinc/39/81/92/554398192.db2.gz QRXBGJQYEKPIQW-UHFFFAOYSA-N 0 0 558.967 6.049 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000059503810 554400147 /nfs/dbraw/zinc/40/01/47/554400147.db2.gz CCZJEJJXQQWYAK-GTYOFVGBSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000059503814 554400202 /nfs/dbraw/zinc/40/02/02/554400202.db2.gz RHVCVYFBYZFDTP-URAOTHONSA-N 0 0 592.614 6.732 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)cc2)cc1 ZINC000059503809 554400208 /nfs/dbraw/zinc/40/02/08/554400208.db2.gz CCZJEJJXQQWYAK-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN Cc1ccccc1[C@H]1C(C(=O)Nc2nc3ccc(Br)cc3s2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000059503857 554400280 /nfs/dbraw/zinc/40/02/80/554400280.db2.gz HPDLOWDVCDUYMH-QHCPKHFHSA-N 0 0 536.495 6.610 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000059513591 554400832 /nfs/dbraw/zinc/40/08/32/554400832.db2.gz SDPQLVHCYKYSQI-JPZYQRIQSA-N 0 0 554.643 5.721 50 30 KKEARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N/c2ncc(Cc3ccccc3Cl)s2)N1c1ccccc1 ZINC000100478561 554401494 /nfs/dbraw/zinc/40/14/94/554401494.db2.gz NLCMOBRXIIHVQN-FIXHLOAWSA-N 0 0 533.034 7.104 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059514805 554401675 /nfs/dbraw/zinc/40/16/75/554401675.db2.gz NWJBCKAFQFJMFV-DFXYEROKSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)c([N+](=O)[O-])c4)cc3)cc2)cc1[N+](=O)[O-] ZINC000100483953 554402099 /nfs/dbraw/zinc/40/20/99/554402099.db2.gz NLSGRRRXJUPKMM-YAGSLNJISA-N 0 0 526.505 6.814 50 30 KKEARN O=C1C=CC(=O)N1CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100487464 554402370 /nfs/dbraw/zinc/40/23/70/554402370.db2.gz QGVHMBIQPGFCFW-UHFFFAOYSA-N 0 0 557.200 5.701 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000059523746 554405140 /nfs/dbraw/zinc/40/51/40/554405140.db2.gz KWIHQYXCSSHXRX-IIMAJNMQSA-N 0 0 559.062 6.366 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000059523753 554405178 /nfs/dbraw/zinc/40/51/78/554405178.db2.gz YFPDYFHTYVTSCG-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4c(c3)OCCO4)N(Cc3ccccc3)C1=O)S2 ZINC000100500461 554405501 /nfs/dbraw/zinc/40/55/01/554405501.db2.gz GLGBOAYRWZDTOF-GZCDXWOBSA-N 0 0 517.632 5.641 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)s2)cc1 ZINC000059524784 554405873 /nfs/dbraw/zinc/40/58/73/554405873.db2.gz QPLLWORRGGHJLV-WRGVRERRSA-N 0 0 544.673 6.083 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000059530945 554406847 /nfs/dbraw/zinc/40/68/47/554406847.db2.gz VVZVTUFQQOWVOB-SMSORMJASA-N 0 0 543.063 6.666 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000059530943 554406899 /nfs/dbraw/zinc/40/68/99/554406899.db2.gz VVZVTUFQQOWVOB-YKGWIAGDSA-N 0 0 543.063 6.666 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000100523206 554409688 /nfs/dbraw/zinc/40/96/88/554409688.db2.gz IVBXFHDOINPFHG-HKBQPEDESA-N 0 0 537.656 6.622 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@@H](C)NC(=O)c1cccs1 ZINC000059603594 554410204 /nfs/dbraw/zinc/41/02/04/554410204.db2.gz RMUIRTWSTJQROX-OAHLLOKOSA-N 0 0 534.505 5.127 50 30 KKEARN Cc1cc(I)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000100540359 554412805 /nfs/dbraw/zinc/41/28/05/554412805.db2.gz KZDZCPLVSQAJED-KIBLKLHPSA-N 0 0 523.157 7.171 50 30 KKEARN N#Cc1c2c(sc1/N=C/c1ccc(-c3c(Br)cc([N+](=O)[O-])cc3Br)o1)CCCC2 ZINC000100540657 554413127 /nfs/dbraw/zinc/41/31/27/554413127.db2.gz QAQCVBQVTKLYME-YSURURNPSA-N 0 0 535.217 6.942 50 30 KKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000100545835 554413788 /nfs/dbraw/zinc/41/37/88/554413788.db2.gz FAXRWJMTLJBKAD-UHFFFAOYSA-N 0 0 505.768 9.344 50 30 KKEARN C=CCn1c(SCc2nc3ccccc3c(=O)n2-c2ccccc2OC)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000059620664 554414199 /nfs/dbraw/zinc/41/41/99/554414199.db2.gz ITCBZIQJZMRGII-UHFFFAOYSA-N 0 0 539.705 5.932 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100553127 554415405 /nfs/dbraw/zinc/41/54/05/554415405.db2.gz PGYQQEYWYHVHOW-TUZCJGOLSA-N 0 0 584.507 6.265 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000100553845 554415770 /nfs/dbraw/zinc/41/57/70/554415770.db2.gz XLUUKDLKKYWMFT-UBOZLPQGSA-N 0 0 551.683 6.630 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OC(C)C)cc1 ZINC000100553859 554415845 /nfs/dbraw/zinc/41/58/45/554415845.db2.gz XLUUKDLKKYWMFT-UTONBFNKSA-N 0 0 551.683 6.630 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100555428 554416118 /nfs/dbraw/zinc/41/61/18/554416118.db2.gz UXDYYOUDMJICQL-VGHVDPOBSA-N 0 0 584.507 6.178 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100556767 554416291 /nfs/dbraw/zinc/41/62/91/554416291.db2.gz ZBZIWEHLDQVTOK-DICHSLLOSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100556680 554416318 /nfs/dbraw/zinc/41/63/18/554416318.db2.gz RJMIAGVDWNDBHJ-NLGDKJDOSA-N 0 0 537.656 6.458 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100557275 554416708 /nfs/dbraw/zinc/41/67/08/554416708.db2.gz HIZAMXNIMXASKP-QDPGVEIFSA-N 0 0 528.446 6.554 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557759 554416823 /nfs/dbraw/zinc/41/68/23/554416823.db2.gz DFVVEUITJOKMGC-DCFHFQCYSA-N 0 0 554.912 7.340 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100558830 554417195 /nfs/dbraw/zinc/41/71/95/554417195.db2.gz DNIRRBBWXQNACS-LYZGTLIUSA-N 0 0 556.124 6.405 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(C(=O)c1ccccc1)=C(NCc1ccccc1)c1ccccc1 ZINC000100558739 554417280 /nfs/dbraw/zinc/41/72/80/554417280.db2.gz GMSYUSJEOFTUGX-RQZHXJHFSA-N 0 0 505.530 5.186 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1OC ZINC000100558821 554417297 /nfs/dbraw/zinc/41/72/97/554417297.db2.gz DNIRRBBWXQNACS-RBTNQOKQSA-N 0 0 556.124 6.405 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100559347 554417487 /nfs/dbraw/zinc/41/74/87/554417487.db2.gz MGZSQHBGHWAAHA-YKGWIAGDSA-N 0 0 560.046 6.038 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3I)c(OCC)c2)SC1=S ZINC000100561356 554417998 /nfs/dbraw/zinc/41/79/98/554417998.db2.gz QHDNVOVGWVRQPN-UYRXBGFRSA-N 0 0 551.427 5.296 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562429 554418665 /nfs/dbraw/zinc/41/86/65/554418665.db2.gz SGOZMXQSZXFNOA-KMRXNPHXSA-N 0 0 566.912 7.794 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562393 554418726 /nfs/dbraw/zinc/41/87/26/554418726.db2.gz SJHXCFXLHWTTSX-RNWIMVQKSA-N 0 0 576.918 7.250 50 30 KKEARN CCN1c2ccc(-c3ccccc3)cc2C(C)(C)/C1=C/C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000100562677 554418748 /nfs/dbraw/zinc/41/87/48/554418748.db2.gz FRWSQHBOPPPKBM-WMZJBQSESA-N 0 0 507.703 7.830 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000100569358 554421012 /nfs/dbraw/zinc/42/10/12/554421012.db2.gz PQNWKMYWHWDIKJ-XWDCEDKXSA-N 0 0 629.753 7.430 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000100569355 554421035 /nfs/dbraw/zinc/42/10/35/554421035.db2.gz PQNWKMYWHWDIKJ-YSJGZBICSA-N 0 0 629.753 7.430 50 30 KKEARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2cc(Cl)cc(Cl)c2)S1 ZINC000100570085 554421593 /nfs/dbraw/zinc/42/15/93/554421593.db2.gz SSAVJRQXFIDXNU-BWUCGBNQSA-N 0 0 526.489 5.917 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100569924 554421651 /nfs/dbraw/zinc/42/16/51/554421651.db2.gz RXFVISQXYRAZMN-SBGXGKRISA-N 0 0 523.998 5.238 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100573414 554422447 /nfs/dbraw/zinc/42/24/47/554422447.db2.gz PAYVBYUVHZEZCN-DNOBIOAJSA-N 0 0 600.937 7.054 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100574825 554422723 /nfs/dbraw/zinc/42/27/23/554422723.db2.gz ISIFQGNQYPHJJI-WRONEBCDSA-N 0 0 610.545 6.800 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100574828 554422823 /nfs/dbraw/zinc/42/28/23/554422823.db2.gz ISIFQGNQYPHJJI-AFJIDDCJSA-N 0 0 610.545 6.800 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000100575884 554423065 /nfs/dbraw/zinc/42/30/65/554423065.db2.gz FOOOZNIMQQECMM-HFJWLAOPSA-N 0 0 546.447 5.562 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100575915 554423460 /nfs/dbraw/zinc/42/34/60/554423460.db2.gz KADXRKNJWRAPRV-UKJJDJLKSA-N 0 0 572.101 7.242 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000100576030 554423638 /nfs/dbraw/zinc/42/36/38/554423638.db2.gz XUIBTJBRFNDSGY-GTYOFVGBSA-N 0 0 588.100 6.600 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000100581368 554424796 /nfs/dbraw/zinc/42/47/96/554424796.db2.gz ZBXSGHDRJZGBNX-WINIVTDRSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000059706380 554425949 /nfs/dbraw/zinc/42/59/49/554425949.db2.gz AREPECJUZZJLPH-LGGPFLRQSA-N 0 0 536.068 6.682 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706368 554425958 /nfs/dbraw/zinc/42/59/58/554425958.db2.gz HQFQZOTVWDDPPX-DICHSLLOSA-N 0 0 537.656 6.241 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000059706384 554425983 /nfs/dbraw/zinc/42/59/83/554425983.db2.gz AREPECJUZZJLPH-ONOMSOESSA-N 0 0 536.068 6.682 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000059706383 554425994 /nfs/dbraw/zinc/42/59/94/554425994.db2.gz AREPECJUZZJLPH-PBBNMVCDSA-N 0 0 536.068 6.682 50 30 KKEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000059706320 554426042 /nfs/dbraw/zinc/42/60/42/554426042.db2.gz ZZEZBNKOVMGPCS-UBOZLPQGSA-N 0 0 551.683 6.632 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000059706403 554426275 /nfs/dbraw/zinc/42/62/75/554426275.db2.gz OSSKRQSOTDTIOW-MYVCOICNSA-N 0 0 564.726 6.689 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059734947 554427068 /nfs/dbraw/zinc/42/70/68/554427068.db2.gz RBGCPWRMSHTDDU-HSZRJFAPSA-N 0 0 595.194 6.797 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588013 554427450 /nfs/dbraw/zinc/42/74/50/554427450.db2.gz XYPRDYZQRQWKPW-VKGTZQKMSA-N 0 0 614.533 6.187 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccsc2)cc1 ZINC000059736123 554427699 /nfs/dbraw/zinc/42/76/99/554427699.db2.gz OXODWFAYXKHAFD-PIIWDFAUSA-N 0 0 530.646 5.774 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588314 554427957 /nfs/dbraw/zinc/42/79/57/554427957.db2.gz VVTUBRHOWYGXQR-QLXKLKPCSA-N 0 0 586.479 5.408 50 30 KKEARN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000059776014 554429073 /nfs/dbraw/zinc/42/90/73/554429073.db2.gz AIVABVBCSBESMC-UHFFFAOYSA-N 0 0 570.886 5.102 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100593410 554429427 /nfs/dbraw/zinc/42/94/27/554429427.db2.gz RHEKAAMPMMDYOL-WHLCRQNOSA-N 0 0 614.533 6.044 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100597616 554430330 /nfs/dbraw/zinc/43/03/30/554430330.db2.gz NHKCKZRSCDFFKN-XRHLQHRESA-N 0 0 600.506 5.797 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100597618 554430448 /nfs/dbraw/zinc/43/04/48/554430448.db2.gz NHKCKZRSCDFFKN-CLYVBNDRSA-N 0 0 600.506 5.797 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597788 554430609 /nfs/dbraw/zinc/43/06/09/554430609.db2.gz LIVLIZDKKZYOQG-LGGPFLRQSA-N 0 0 567.704 5.466 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000100600165 554431835 /nfs/dbraw/zinc/43/18/35/554431835.db2.gz ZJSWPAMPXYYJIR-XDBZFTIUSA-N 0 0 600.506 5.797 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000100602734 554431863 /nfs/dbraw/zinc/43/18/63/554431863.db2.gz UBVSOTFFPHYZSG-DEOSSOPVSA-N 0 0 539.470 6.105 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccc(C)c(C)c3)c(OCC)c2)SC1=S ZINC000100606007 554432296 /nfs/dbraw/zinc/43/22/96/554432296.db2.gz WJSRLYHIMCVDLC-JCMHNJIXSA-N 0 0 595.524 6.152 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000100616071 554432627 /nfs/dbraw/zinc/43/26/27/554432627.db2.gz ONSVFZMLFDSCTI-VWLOTQADSA-N 0 0 522.432 6.046 50 30 KKEARN CCCn1c2ccccc2n2c1nc(-c1ccc(-c3ccccc3)cc1)c2C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000100616651 554432867 /nfs/dbraw/zinc/43/28/67/554432867.db2.gz LOGIEAQQAVTUDN-XSFVSMFZSA-N 0 0 541.651 7.946 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650191 554437124 /nfs/dbraw/zinc/43/71/24/554437124.db2.gz ZHOLAAVKNWIOOZ-OAQYLSRUSA-N 0 0 545.821 5.648 50 30 KKEARN O=C1/C=C\C(=O)C2(CCCC2)C(=O)/C=C\C(=O)C2(CCCC2)C(=O)/C=C\C(=O)C2(CCCC2)C(=O)/C=C\C(=O)C12CCCC2 ZINC000100661502 554438843 /nfs/dbraw/zinc/43/88/43/554438843.db2.gz DHMKVKVOAAPRDW-LUHLCGLTSA-N 0 0 600.708 5.019 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1OCC ZINC000100666667 554440224 /nfs/dbraw/zinc/44/02/24/554440224.db2.gz XEDJKSHAYKYDBP-AMCWRZLLSA-N 0 0 544.555 5.453 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1OC ZINC000100669482 554440688 /nfs/dbraw/zinc/44/06/88/554440688.db2.gz MRCJHRJWKAXLPW-KMRXNPHXSA-N 0 0 539.632 5.416 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669454 554440702 /nfs/dbraw/zinc/44/07/02/554440702.db2.gz ZTCJSNNBQMAOMF-CCLHPLFOSA-N 0 0 581.432 7.468 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100669799 554441032 /nfs/dbraw/zinc/44/10/32/554441032.db2.gz DGPJKCJCQMCTMP-WINIVTDRSA-N 0 0 536.981 7.359 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672101 554441496 /nfs/dbraw/zinc/44/14/96/554441496.db2.gz MBVLAHPEACZZBI-SSEXGKCCSA-N 0 0 534.612 6.750 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100673963 554442596 /nfs/dbraw/zinc/44/25/96/554442596.db2.gz ZACVYXWOPHVPDR-BUUDZMLXSA-N 0 0 558.458 5.716 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3c(F)cccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100674296 554442923 /nfs/dbraw/zinc/44/29/23/554442923.db2.gz RWYQSMBXLVHFON-PIIWDFAUSA-N 0 0 530.571 5.982 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100675319 554443743 /nfs/dbraw/zinc/44/37/43/554443743.db2.gz PDXOORIDTDLTPU-GDLZYMKVSA-N 0 0 538.600 5.526 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000100679431 554445243 /nfs/dbraw/zinc/44/52/43/554445243.db2.gz LLDZJHSOEZRXCO-HSZRJFAPSA-N 0 0 534.634 5.898 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000100678611 554445299 /nfs/dbraw/zinc/44/52/99/554445299.db2.gz UFUJDUDMELDWTA-GDLZYMKVSA-N 0 0 538.575 5.895 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100678561 554445304 /nfs/dbraw/zinc/44/53/04/554445304.db2.gz SYHYBUCIWYHLQC-MUUNZHRXSA-N 0 0 599.486 6.012 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100679734 554445683 /nfs/dbraw/zinc/44/56/83/554445683.db2.gz XWEJUKPOAWWIBU-VWLOTQADSA-N 0 0 562.688 6.713 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100680415 554446677 /nfs/dbraw/zinc/44/66/77/554446677.db2.gz IBJFIBKKOSMTIG-AREMUKBSSA-N 0 0 588.726 7.054 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000059844593 554448057 /nfs/dbraw/zinc/44/80/57/554448057.db2.gz UPLMTDUXUSLCSR-WGDIFIGCSA-N 0 0 544.431 5.663 50 30 KKEARN C=CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000100683616 554448382 /nfs/dbraw/zinc/44/83/82/554448382.db2.gz PYFZFALAOCQJED-ABBNRAPFSA-N 0 0 597.133 5.202 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCC ZINC000100683626 554448677 /nfs/dbraw/zinc/44/86/77/554448677.db2.gz LAHIHSCTZXUIKE-HSUOJCLFSA-N 0 0 590.742 5.111 50 30 KKEARN Cc1ccc(/N=C(/N=c2\n(C)s/c(=N\C(=N/c3ccc(C)cc3)c3ccccc3)n2C)c2ccccc2)cc1 ZINC000100690238 554449876 /nfs/dbraw/zinc/44/98/76/554449876.db2.gz OPIGDQNFZYYHTI-LDFZRLCDSA-N 0 0 530.701 6.400 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100691259 554450201 /nfs/dbraw/zinc/45/02/01/554450201.db2.gz MJSZSJQPURWNNM-FQRUVTKNSA-N 0 0 556.522 6.116 50 30 KKEARN CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N ZINC000100698041 554451072 /nfs/dbraw/zinc/45/10/72/554451072.db2.gz COJXKXMBXTZGKN-UHFFFAOYSA-N 0 0 600.697 5.919 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000100699829 554451353 /nfs/dbraw/zinc/45/13/53/554451353.db2.gz JJDWLKAJMPTAGS-NRFANRHFSA-N 0 0 502.939 7.079 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl ZINC000100701608 554451975 /nfs/dbraw/zinc/45/19/75/554451975.db2.gz SAIYJPIUYUOBCE-IBGZPJMESA-N 0 0 502.980 5.707 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000100704651 554452750 /nfs/dbraw/zinc/45/27/50/554452750.db2.gz UPGDPHFLEWIHCA-YKGWIAGDSA-N 0 0 547.717 6.663 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000100704807 554452760 /nfs/dbraw/zinc/45/27/60/554452760.db2.gz CJBZEZPECCJHLV-RCRUUEGKSA-N 0 0 549.664 5.434 50 30 KKEARN CCCCCCCCCCCCCCCc1noc2c1/C(=N\OS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000100706721 554453065 /nfs/dbraw/zinc/45/30/65/554453065.db2.gz ZSXMWQOLKBWWCK-QVTSOHHYSA-N 0 0 516.748 8.063 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000100706011 554453088 /nfs/dbraw/zinc/45/30/88/554453088.db2.gz LJYAMDWDMJNYGM-WKRVVKTRSA-N 0 0 545.676 6.340 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000100710144 554453351 /nfs/dbraw/zinc/45/33/51/554453351.db2.gz HIFHSLYSKMVKOZ-UHFFFAOYSA-N 0 0 529.142 6.840 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000100714749 554454459 /nfs/dbraw/zinc/45/44/59/554454459.db2.gz POWGSDSQIYGTPZ-UHFFFAOYSA-N 0 0 540.576 5.141 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100722467 554456269 /nfs/dbraw/zinc/45/62/69/554456269.db2.gz WIFSEZVWINAKDQ-IBGZPJMESA-N 0 0 515.378 7.360 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000100726563 554456869 /nfs/dbraw/zinc/45/68/69/554456869.db2.gz GYEDEPQWUIYHTH-HSZRJFAPSA-N 0 0 555.031 8.406 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100726547 554456894 /nfs/dbraw/zinc/45/68/94/554456894.db2.gz YQSVNYJJXLEZBP-RUZDIDTESA-N 0 0 565.095 8.884 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl ZINC000100726539 554456990 /nfs/dbraw/zinc/45/69/90/554456990.db2.gz LPVUQTJCRSXGQI-DEOSSOPVSA-N 0 0 551.068 8.575 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000100728416 554458484 /nfs/dbraw/zinc/45/84/84/554458484.db2.gz WOFXBVOAKRZCRZ-BWXVZPLGSA-N 0 0 533.118 6.651 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000100732688 554460674 /nfs/dbraw/zinc/46/06/74/554460674.db2.gz PDHCWTPGEZJJCU-FTBPSBKWSA-N 0 0 568.464 5.172 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000100732804 554460829 /nfs/dbraw/zinc/46/08/29/554460829.db2.gz UYYFVOIBQZFUNG-FBQMUFCQSA-N 0 0 551.705 5.768 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(Br)c1 ZINC000100742884 554463759 /nfs/dbraw/zinc/46/37/59/554463759.db2.gz FKMVNGGTZYPXMT-UHFFFAOYSA-N 0 0 604.501 6.004 50 30 KKEARN Clc1ccc(Cn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)c(Cl)c1 ZINC000100761827 554467780 /nfs/dbraw/zinc/46/77/80/554467780.db2.gz HEAUJTAZSWJJCP-OKCVXOCRSA-N 0 0 535.483 5.828 50 30 KKEARN COC(=O)C(=Nc1ccccc1)C(C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccc(C)cc1 ZINC000100787367 554472733 /nfs/dbraw/zinc/47/27/33/554472733.db2.gz IDCOZLQFKXCTHR-FLWNBWAVSA-N 0 0 546.623 5.515 50 30 KKEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc3c(c2)c2ccccc2n3CC)C1=O ZINC000100795465 554473573 /nfs/dbraw/zinc/47/35/73/554473573.db2.gz ZHTZOHGPJLMDDG-JLPGSUDCSA-N 0 0 513.575 6.266 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)SC1=S ZINC000100795168 554473593 /nfs/dbraw/zinc/47/35/93/554473593.db2.gz QYYORIQHQKLUJY-IZHYLOQSSA-N 0 0 521.708 5.912 50 30 KKEARN COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(OC)c(OC)c(OC)c1 ZINC000100808969 554474812 /nfs/dbraw/zinc/47/48/12/554474812.db2.gz VJXIYHVEQIAPBW-HIWKEIFESA-N 0 0 527.415 5.078 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1OC ZINC000100814960 554475804 /nfs/dbraw/zinc/47/58/04/554475804.db2.gz ISOAVSAMDDDCQZ-AROUGJDSSA-N 0 0 581.554 8.485 50 30 KKEARN COc1cccc(C(=O)Oc2ccc(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)cc2OC)c1 ZINC000100820545 554479752 /nfs/dbraw/zinc/47/97/52/554479752.db2.gz JQDOZUGRIBGODU-UHFFFAOYSA-N 0 0 548.632 6.409 50 30 KKEARN CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000100823074 554481347 /nfs/dbraw/zinc/48/13/47/554481347.db2.gz AKHVTQLCAVJHTI-MRXNPFEDSA-N 0 0 517.748 6.299 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S ZINC000100839798 554487955 /nfs/dbraw/zinc/48/79/55/554487955.db2.gz XABJGHWGJVICBY-OOAXWGSJSA-N 0 0 533.763 7.808 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100842324 554489838 /nfs/dbraw/zinc/48/98/38/554489838.db2.gz PIISPCDPVLBPIV-XLNRJJMWSA-N 0 0 504.515 7.594 50 30 KKEARN CCCCCCCCCCCCCCCCCc1nnc(SC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000100853502 554493104 /nfs/dbraw/zinc/49/31/04/554493104.db2.gz UOFBJKRGZHAQMH-UHFFFAOYSA-N 0 0 528.590 10.115 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000100871008 554498400 /nfs/dbraw/zinc/49/84/00/554498400.db2.gz UNCICOHSZSLAIG-BWAHOGKJSA-N 0 0 521.708 6.728 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c1 ZINC000100871478 554499320 /nfs/dbraw/zinc/49/93/20/554499320.db2.gz XUIRDAHWZHZVJP-VEILYXNESA-N 0 0 537.710 7.122 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C2=O)SC1=S ZINC000100872015 554500235 /nfs/dbraw/zinc/50/02/35/554500235.db2.gz PYOXULQVUWAHQY-DQSJHHFOSA-N 0 0 598.234 7.818 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C)cc3C)C2=O)SC1=S ZINC000100872297 554501050 /nfs/dbraw/zinc/50/10/50/554501050.db2.gz SSKWPJNHFNMALP-FLWNBWAVSA-N 0 0 591.843 7.781 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCC)C2=O)SC1=S ZINC000100872501 554501372 /nfs/dbraw/zinc/50/13/72/554501372.db2.gz UUEHYTJQJGSVQK-VXPUYCOJSA-N 0 0 509.535 6.528 50 30 KKEARN CCCCCCCCc1cc(I)c(CCCCCCCC)cc1I ZINC000060290655 554505011 /nfs/dbraw/zinc/50/50/11/554505011.db2.gz JNTDOQWSWMNCCX-UHFFFAOYSA-N 0 0 554.338 8.702 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)Nc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000100878817 554505843 /nfs/dbraw/zinc/50/58/43/554505843.db2.gz BPPPYDYBRRJEGA-KALPRAJFSA-N 0 0 528.406 5.139 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000100888126 554509452 /nfs/dbraw/zinc/50/94/52/554509452.db2.gz ATGPZGQBJMIPFL-FQEVSTJZSA-N 0 0 556.913 6.679 50 30 KKEARN CN1CCN([C@@H]2/C(=N/C3CCCCC3)N(c3cccc(C(F)(F)F)c3)C(=S)C23CCCCC3)CC1 ZINC000063600585 554509919 /nfs/dbraw/zinc/50/99/19/554509919.db2.gz JKRBNIXKSDXGTD-HSYQXHMNSA-N 0 0 506.682 6.151 50 30 KKEARN COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)nc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000100889395 554510689 /nfs/dbraw/zinc/51/06/89/554510689.db2.gz MHHZBOFLEAWBBD-LJQANCHMSA-N 0 0 612.802 7.220 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000100894003 554513270 /nfs/dbraw/zinc/51/32/70/554513270.db2.gz BBNMGXZUDTWNGF-AJBULDERSA-N 0 0 538.113 7.175 50 30 KKEARN FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F ZINC000064624395 554513442 /nfs/dbraw/zinc/51/34/42/554513442.db2.gz WDWGWHKCNGASHA-UHFFFAOYSA-N 0 0 595.093 6.885 50 30 in-vitro KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000100899360 554514306 /nfs/dbraw/zinc/51/43/06/554514306.db2.gz XMLPOWZYZSHASR-MGIMQLBCSA-N 0 0 512.745 5.657 50 30 KKEARN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000100902700 554515081 /nfs/dbraw/zinc/51/50/81/554515081.db2.gz YSNDCEYCDNOTJU-UHFFFAOYSA-N 0 0 539.351 6.547 50 30 KKEARN O=C1/C(=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000100907901 554516103 /nfs/dbraw/zinc/51/61/03/554516103.db2.gz PQZHFPRQZWKASD-RGCBFNRSSA-N 0 0 532.650 7.133 50 30 KKEARN CCCCCCCc1ccc(-c2c3c(nc(/C=C/c4cccc(Cl)c4)c2C#N)-c2ccccc2C3=O)cc1 ZINC000100917925 554520252 /nfs/dbraw/zinc/52/02/52/554520252.db2.gz KKNWMTGMYICBHJ-LVZFUZTISA-N 0 0 517.072 9.168 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000100920874 554521308 /nfs/dbraw/zinc/52/13/08/554521308.db2.gz NKBZSYBOCGVJKB-WVKSPYBCSA-N 0 0 512.745 5.739 50 30 KKEARN CCCCCCCOc1ccc(/C=c2/sc3nc(-c4oc5ccccc5c4C)nn3c2=O)cc1OC ZINC000100927995 554525375 /nfs/dbraw/zinc/52/53/75/554525375.db2.gz ITKVTHWNPRKVAE-JJIBRWJFSA-N 0 0 503.624 5.778 50 30 KKEARN CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]2c1ccc(C#N)cc1 ZINC000100932192 554527932 /nfs/dbraw/zinc/52/79/32/554527932.db2.gz NCNGNRVYRCTLQV-SUYBVONHSA-N 0 0 591.495 6.262 50 30 KKEARN COc1ccc(C2=C(Nc3ccc(Oc4cccc(C(F)(F)F)c4)cc3)c3ccccc3C2=O)cc1OC ZINC000100947188 554535166 /nfs/dbraw/zinc/53/51/66/554535166.db2.gz IAHNSJPLKJZBDF-UHFFFAOYSA-N 0 0 517.503 7.692 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S ZINC000100947713 554536236 /nfs/dbraw/zinc/53/62/36/554536236.db2.gz WQUBYHKKQFQYNF-XLNRJJMWSA-N 0 0 523.749 6.716 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000100948798 554536776 /nfs/dbraw/zinc/53/67/76/554536776.db2.gz DKOJZUNZSQRACM-MUUNZHRXSA-N 0 0 531.678 5.732 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(CCCCCC)CCCCCC)cc2)cc1 ZINC000100954642 554538631 /nfs/dbraw/zinc/53/86/31/554538631.db2.gz JEXKGYDGBWWIGL-UHFFFAOYSA-N 0 0 577.854 9.621 50 30 biogenic KKEARN COc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575160 554540087 /nfs/dbraw/zinc/54/00/87/554540087.db2.gz HUHWDAOXQIHRCS-UHFFFAOYSA-N 0 0 569.211 6.643 50 30 KKEARN FC(F)(F)C(Oc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F ZINC000068572886 554540101 /nfs/dbraw/zinc/54/01/01/554540101.db2.gz RYHBTJRTQATNDU-UHFFFAOYSA-N 0 0 580.329 7.085 50 30 KKEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)/C(=N/c3ccc(OC)cc3)S2)c1 ZINC000100958140 554541134 /nfs/dbraw/zinc/54/11/34/554541134.db2.gz LDIAUZYSSWVFIK-XDNZSQCXSA-N 0 0 549.649 5.272 50 30 KKEARN Cc1cccc2oc(-c3ccc(/N=C/c4ccc(/C=N/c5ccc(-c6nc7c(cccc7C)o6)cc5)cc4)cc3)nc21 ZINC000100999597 554552042 /nfs/dbraw/zinc/55/20/42/554552042.db2.gz HYIGWAWHOBEWLB-DITNJDIQSA-N 0 0 546.630 9.421 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S ZINC000101001655 554552552 /nfs/dbraw/zinc/55/25/52/554552552.db2.gz GIIBOBAXMLJCST-XLNRJJMWSA-N 0 0 530.760 5.792 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OS(=O)(=O)c1ccccc1 ZINC000101007139 554555019 /nfs/dbraw/zinc/55/50/19/554555019.db2.gz SLWLKBJGEQZVNN-LGJNPRDNSA-N 0 0 534.446 6.339 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3cc(I)c(O)c(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000101007645 554555669 /nfs/dbraw/zinc/55/56/69/554555669.db2.gz BFIOPYKIMWQBQK-HVSIYQNKSA-N 0 0 584.479 6.939 50 30 KKEARN CCCCCCCCCCCCC#CC#CCCCCCCCCCOc1ccc2c(=O)n3c(c4cccc1c24)=Nc1ccccc1C3 ZINC000101011691 554558307 /nfs/dbraw/zinc/55/83/07/554558307.db2.gz ISRDVHQBAZPMSE-UHFFFAOYSA-N 0 0 642.928 11.004 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1Cl ZINC000101019487 554561310 /nfs/dbraw/zinc/56/13/10/554561310.db2.gz TYGNNSHYLXPZQQ-VFLNYLIXSA-N 0 0 532.880 8.194 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000101042150 554567747 /nfs/dbraw/zinc/56/77/47/554567747.db2.gz BYZNPWUIXQUXHT-HBBKMXGMSA-N 0 0 536.723 5.402 50 30 KKEARN Cc1ccc(-n2c(=O)/c(=C\c3ccccc3OC(C)C)s/c2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C ZINC000101059080 554569929 /nfs/dbraw/zinc/56/99/29/554569929.db2.gz WYHQGNPOFYFHIF-MVTKQDNJSA-N 0 0 544.076 5.098 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101062461 554570446 /nfs/dbraw/zinc/57/04/46/554570446.db2.gz WEFIOPFPKBZFBG-ZHHPLPSFSA-N 0 0 508.416 5.281 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000101062627 554570635 /nfs/dbraw/zinc/57/06/35/554570635.db2.gz VAALXLODCWUHSS-ZHHPLPSFSA-N 0 0 523.427 6.484 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000101071408 554575637 /nfs/dbraw/zinc/57/56/37/554575637.db2.gz XYNDUDQITWQWHL-AREMUKBSSA-N 0 0 543.490 7.022 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ncc(-c6ccccc6)o5)cc4)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000101071413 554575646 /nfs/dbraw/zinc/57/56/46/554575646.db2.gz INDHATWMIAOKMZ-NDEPHWFRSA-N 0 0 610.537 7.677 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072991 554576607 /nfs/dbraw/zinc/57/66/07/554576607.db2.gz VZCHOAMYBRERII-IAMBOQNYSA-N 0 0 519.420 6.302 50 30 KKEARN Cc1cccc(N2CCN(C3=C(NS(=O)(=O)c4ccc(Br)cc4)C(=O)c4ccccc4C3=O)CC2)c1C ZINC000101081040 554578699 /nfs/dbraw/zinc/57/86/99/554578699.db2.gz APRPBDMBFLMXPO-JVCXMKTPSA-N 0 0 580.504 5.141 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3ccc(O)c(I)c3)C(=O)N2CC(C)C)cc1 ZINC000101081165 554578959 /nfs/dbraw/zinc/57/89/59/554578959.db2.gz GCNVHZYOONPMPD-HUIWRNEVSA-N 0 0 508.381 5.265 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000101087082 554580848 /nfs/dbraw/zinc/58/08/48/554580848.db2.gz BRMMKLVCWQGSLQ-YICFVICHSA-N 0 0 579.650 5.223 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccccc2)cc1 ZINC000101090931 554582127 /nfs/dbraw/zinc/58/21/27/554582127.db2.gz ZGTZSGGDBKDTIF-BKJRLHHMSA-N 0 0 527.584 6.513 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(-c3cc4n(c(=N)c3C#N)CCc3cc5c(cc3-4)OCCCO5)c2C)cc1 ZINC000101095445 554584403 /nfs/dbraw/zinc/58/44/03/554584403.db2.gz USULUTDLTFFDBN-UHFFFAOYSA-N 0 0 534.616 5.475 50 30 KKEARN O=C1/C(=C/c2cc(Br)cs2)CC(c2ccccc2)C/C1=C\c1cc(Br)cs1 ZINC000101114637 554642610 /nfs/dbraw/zinc/64/26/10/554642610.db2.gz GFVSJRFUVCQRLQ-GONBZBRSSA-N 0 0 520.311 7.948 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000101128965 554647651 /nfs/dbraw/zinc/64/76/51/554647651.db2.gz QWYWUSYCBTXEHP-LGUFXXKBSA-N 0 0 519.736 7.418 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@H]4c2ccc(OC)cc2)cc1 ZINC000101149885 554657086 /nfs/dbraw/zinc/65/70/86/554657086.db2.gz NEGMVIOOPBBPKE-AXPYDQDRSA-N 0 0 543.583 6.131 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101175021 554662786 /nfs/dbraw/zinc/66/27/86/554662786.db2.gz CWDPEUKFQGRZGR-SPFJJUEISA-N 0 0 548.006 6.108 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)c(Br)c1 ZINC000101184770 554668907 /nfs/dbraw/zinc/66/89/07/554668907.db2.gz UEIZXUFTGHUHRU-UHFFFAOYSA-N 0 0 591.348 8.785 50 30 KKEARN COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2ccc(C)c(C)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000101185001 554668947 /nfs/dbraw/zinc/66/89/47/554668947.db2.gz FHTKTRDXEQXMBW-UHFFFAOYSA-N 0 0 562.548 7.965 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000101201698 554672790 /nfs/dbraw/zinc/67/27/90/554672790.db2.gz KZJKHIKQIDJNQA-UKTHLTGXSA-N 0 0 563.676 5.281 50 30 KKEARN C=CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000101203386 554673698 /nfs/dbraw/zinc/67/36/98/554673698.db2.gz LVFNKYCVSDUBKW-UHFFFAOYSA-N 0 0 534.667 5.775 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204452 554674352 /nfs/dbraw/zinc/67/43/52/554674352.db2.gz GEMYAGXLXOKOMY-WHLCRQNOSA-N 0 0 614.533 6.188 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204448 554674378 /nfs/dbraw/zinc/67/43/78/554674378.db2.gz YXQYFFBBVLTWIJ-OLILMLBXSA-N 0 0 628.560 6.579 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101204502 554674594 /nfs/dbraw/zinc/67/45/94/554674594.db2.gz VUSFXZSLIZCAHC-HEIROHQZSA-N 0 0 589.685 5.875 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204740 554674730 /nfs/dbraw/zinc/67/47/30/554674730.db2.gz HVFLHHGCVUGCCH-XRHLQHRESA-N 0 0 616.505 5.035 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101204786 554674948 /nfs/dbraw/zinc/67/49/48/554674948.db2.gz DVCFZRYMEBUMPV-OOOSNSGVSA-N 0 0 567.682 6.598 50 30 KKEARN C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)C(=O)c1c(C)c(C(=O)OCC)n(C)c1C ZINC000101208448 554677709 /nfs/dbraw/zinc/67/77/09/554677709.db2.gz YVFOLJBUXDRDER-OAHLLOKOSA-N 0 0 532.481 5.756 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000101209076 554678222 /nfs/dbraw/zinc/67/82/22/554678222.db2.gz FNEUMAOWOHVENN-UHFFFAOYSA-N 0 0 523.395 6.252 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccccc1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209563 554678526 /nfs/dbraw/zinc/67/85/26/554678526.db2.gz WZZQMHASHUZNFX-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209576 554678541 /nfs/dbraw/zinc/67/85/41/554678541.db2.gz GFKKKQNACACHPL-QFIPXVFZSA-N 0 0 566.482 5.310 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209781 554678550 /nfs/dbraw/zinc/67/85/50/554678550.db2.gz DVEUWELOQYPONE-RUZDIDTESA-N 0 0 532.662 5.433 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000101210469 554678992 /nfs/dbraw/zinc/67/89/92/554678992.db2.gz PCQPVIREDHZOPH-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccccc1Cl ZINC000101210474 554679270 /nfs/dbraw/zinc/67/92/70/554679270.db2.gz CYRZFKVOKJMXBC-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(C(=O)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(C)=O)CC3)n1)C1CCCC1 ZINC000101210820 554679576 /nfs/dbraw/zinc/67/95/76/554679576.db2.gz NUBQVPGHRQKVKB-GDLZYMKVSA-N 0 0 533.669 5.926 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212699 554679761 /nfs/dbraw/zinc/67/97/61/554679761.db2.gz NXTXJLYATBYHFJ-JOCIVYRRSA-N 0 0 615.726 7.388 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212770 554679962 /nfs/dbraw/zinc/67/99/62/554679962.db2.gz CMTQCZLIILEZRM-IJAHGLKVSA-N 0 0 593.720 7.130 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212823 554679986 /nfs/dbraw/zinc/67/99/86/554679986.db2.gz WDPFPEUMDRCXGU-OCKRADGESA-N 0 0 607.747 7.520 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212796 554680000 /nfs/dbraw/zinc/68/00/00/554680000.db2.gz BSGSUWRYXDBSPH-WHLCRQNOSA-N 0 0 630.532 5.425 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212761 554680004 /nfs/dbraw/zinc/68/00/04/554680004.db2.gz BHBMIDXCFSGASY-URNDWHGUSA-N 0 0 593.720 7.130 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101212916 554680200 /nfs/dbraw/zinc/68/02/00/554680200.db2.gz GHOGDBFUNLVHED-UMYKKJMUSA-N 0 0 581.709 6.986 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212903 554680223 /nfs/dbraw/zinc/68/02/23/554680223.db2.gz BYFAUIUQQWPRQU-JWQLPDFJSA-N 0 0 628.560 6.577 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101212978 554680249 /nfs/dbraw/zinc/68/02/49/554680249.db2.gz ISKLWHLJHACPOJ-GDJIYFAZSA-N 0 0 614.533 6.276 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000101218446 554685485 /nfs/dbraw/zinc/68/54/85/554685485.db2.gz OGTVSYGKKVLVCB-NDOVKIIASA-N 0 0 613.776 6.941 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218552 554685667 /nfs/dbraw/zinc/68/56/67/554685667.db2.gz RQCMAQLFZPGHAM-UDNBHOFDSA-N 0 0 585.653 5.402 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000101218589 554685957 /nfs/dbraw/zinc/68/59/57/554685957.db2.gz OUOFPMDRCMXSST-SLGOVJDISA-N 0 0 555.627 5.393 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S ZINC000101220047 554686398 /nfs/dbraw/zinc/68/63/98/554686398.db2.gz FJRZPQCFLJBPRT-LEHARJQJSA-N 0 0 522.696 5.012 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220665 554686609 /nfs/dbraw/zinc/68/66/09/554686609.db2.gz ZISCNSCBDFMPAA-WRHNGFHOSA-N 0 0 616.505 5.035 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000101220815 554687087 /nfs/dbraw/zinc/68/70/87/554687087.db2.gz STGXCASOUXDTNU-ADXZGYQBSA-N 0 0 614.533 6.188 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101220792 554687110 /nfs/dbraw/zinc/68/71/10/554687110.db2.gz GSCNDKAEGJUECQ-JPQMRUPTSA-N 0 0 575.702 6.349 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237953 554692556 /nfs/dbraw/zinc/69/25/56/554692556.db2.gz AOKXRZUWAZKPDO-CLJLJLNGSA-N 0 0 564.539 5.573 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000101250334 554694022 /nfs/dbraw/zinc/69/40/22/554694022.db2.gz MDVRDMSXRDLPPT-PYCFMQQDSA-N 0 0 523.749 6.716 50 30 KKEARN N#C/C(C(=O)Nc1ccc(F)cc1)=c1\s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000101250814 554694238 /nfs/dbraw/zinc/69/42/38/554694238.db2.gz DXHQFUQSVJVQMQ-YIYCWRHBSA-N 0 0 541.991 5.093 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000101258651 554697299 /nfs/dbraw/zinc/69/72/99/554697299.db2.gz QTFSAORXMQILBN-RETWFDOMSA-N 0 0 548.006 6.108 50 30 KKEARN COc1ccc(/C(=N\OC(=O)c2cccc(Br)c2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000101273023 554701480 /nfs/dbraw/zinc/70/14/80/554701480.db2.gz KKWNNICSZDMRCN-QCWLDUFUSA-N 0 0 551.393 5.641 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276769 554703309 /nfs/dbraw/zinc/70/33/09/554703309.db2.gz BWFPGFSAFLPNIV-HOGKFDNTSA-N 0 0 518.591 5.046 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000101285463 554705712 /nfs/dbraw/zinc/70/57/12/554705712.db2.gz FZIIHXIKRNRUCU-HSZRJFAPSA-N 0 0 548.428 7.203 50 30 KKEARN Cc1ccc(C)c(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000101292473 554709146 /nfs/dbraw/zinc/70/91/46/554709146.db2.gz JOAMSYVIZHLTNA-JOCHJYFZSA-N 0 0 540.516 7.186 50 30 KKEARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000101292858 554709637 /nfs/dbraw/zinc/70/96/37/554709637.db2.gz IZYXUCYAPGRWIQ-JOCHJYFZSA-N 0 0 540.516 7.186 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294066 554710649 /nfs/dbraw/zinc/71/06/49/554710649.db2.gz HPYGWPOQIVBTHZ-CJJGVWJISA-N 0 0 526.614 6.058 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294256 554710877 /nfs/dbraw/zinc/71/08/77/554710877.db2.gz DQQNPDMITVQYGI-OFNYXUPYSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294216 554711021 /nfs/dbraw/zinc/71/10/21/554711021.db2.gz GYDKRBGTAFHIRU-NSOCNUKWSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294334 554711200 /nfs/dbraw/zinc/71/12/00/554711200.db2.gz AOITVOYBGKHVGE-CZNAVJSXSA-N 0 0 540.597 5.567 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000101294909 554711545 /nfs/dbraw/zinc/71/15/45/554711545.db2.gz SMQHDQSXERDKSB-HSZRJFAPSA-N 0 0 553.482 5.682 50 30 KKEARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000101311170 554718957 /nfs/dbraw/zinc/71/89/57/554718957.db2.gz ZHJSRQGEVGEGCR-WJOKGBTCSA-N 0 0 519.638 5.251 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313374 554721896 /nfs/dbraw/zinc/72/18/96/554721896.db2.gz RHZWNBUVTBSJLJ-SBXHHDGASA-N 0 0 500.551 5.935 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313751 554722192 /nfs/dbraw/zinc/72/21/92/554722192.db2.gz DKLQAMORAQPBON-OFNYXUPYSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316567 554723691 /nfs/dbraw/zinc/72/36/91/554723691.db2.gz UYCHDWNIUWOMOU-XTUFCYCQSA-N 0 0 568.651 6.210 50 30 KKEARN CCCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000101321795 554728205 /nfs/dbraw/zinc/72/82/05/554728205.db2.gz DPRPQHIEDLQJEH-VXKWHMMOSA-N 0 0 595.669 7.357 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2OC)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101365068 554743774 /nfs/dbraw/zinc/74/37/74/554743774.db2.gz VRLPMGLWLGPBJV-UHFFFAOYSA-N 0 0 612.708 6.460 50 30 KKEARN C=CCn1c(SCc2ccc(C)c(F)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367818 554744257 /nfs/dbraw/zinc/74/42/57/554744257.db2.gz HMPWFQUCYXCSBZ-UHFFFAOYSA-N 0 0 574.653 7.251 50 30 KKEARN C=CCn1c(SCc2cc(F)c(F)cc2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367794 554744261 /nfs/dbraw/zinc/74/42/61/554744261.db2.gz QYYKLAFKVNJPRW-UHFFFAOYSA-N 0 0 578.616 7.082 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376354 554746404 /nfs/dbraw/zinc/74/64/04/554746404.db2.gz NYXUMAQPFUXCEG-NRFANRHFSA-N 0 0 556.059 6.073 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000101400665 554760208 /nfs/dbraw/zinc/76/02/08/554760208.db2.gz UNFZNVUGNHBLQR-FXMZOFOKSA-N 0 0 534.241 6.502 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@@H]3c1ccccc1)c1cccs1 ZINC000101403779 554760872 /nfs/dbraw/zinc/76/08/72/554760872.db2.gz VSDNHUPLCOJZTD-XHTVJODVSA-N 0 0 533.617 5.907 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000101405810 554761708 /nfs/dbraw/zinc/76/17/08/554761708.db2.gz PYELIJLHKVHROC-UHFFFAOYSA-N 0 0 517.360 6.100 50 30 KKEARN C=CCc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000101633270 554812090 /nfs/dbraw/zinc/81/20/90/554812090.db2.gz SOPMVQKLWCHGJS-UCQKPKSFSA-N 0 0 570.454 7.109 50 30 KKEARN COc1ccc(/N=C2/S/C(=C/c3cc4c(cc3OC)OCO4)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000101638598 554813890 /nfs/dbraw/zinc/81/38/90/554813890.db2.gz YQHMERPFMFOAMB-OLHLWEPUSA-N 0 0 527.602 5.761 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)cc2)ccc1Cl ZINC000101705323 554831474 /nfs/dbraw/zinc/83/14/74/554831474.db2.gz CRFLFMKAZFWKII-CMNXJCJSSA-N 0 0 535.343 8.103 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CC[C@H](C(C)(C)C)C3)c1 ZINC000101726190 554832732 /nfs/dbraw/zinc/83/27/32/554832732.db2.gz DYYPCDURHRQXDB-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(OC)c2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000101726193 554832740 /nfs/dbraw/zinc/83/27/40/554832740.db2.gz PQYNJMSKOSNEEH-XRDWFJMKSA-N 0 0 518.679 7.087 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3cccc(OC)c3OC)c2C(=O)Nc2ccc(C)cc2)C1 ZINC000101892281 554846471 /nfs/dbraw/zinc/84/64/71/554846471.db2.gz HAXSLUMFRYCDRB-RWPZCVJISA-N 0 0 507.612 5.591 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000101906247 554848790 /nfs/dbraw/zinc/84/87/90/554848790.db2.gz JPMICXPYXZRNRE-WOJGMQOQSA-N 0 0 541.794 6.149 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102038641 554869122 /nfs/dbraw/zinc/86/91/22/554869122.db2.gz MITMPPONZRRZSW-UHFFFAOYSA-N 0 0 583.450 9.378 50 30 KKEARN COc1cc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OCc1ccccc1 ZINC000102051020 554871249 /nfs/dbraw/zinc/87/12/49/554871249.db2.gz SBBRMJNBWVKIFY-JHOBJCJYSA-N 0 0 575.690 6.773 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102051694 554871437 /nfs/dbraw/zinc/87/14/37/554871437.db2.gz BTIOSNAEMIVIJM-URAOTHONSA-N 0 0 568.630 5.307 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OCc1ccccc1 ZINC000102051698 554871507 /nfs/dbraw/zinc/87/15/07/554871507.db2.gz BTIOSNAEMIVIJM-JRPXNJEYSA-N 0 0 568.630 5.307 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000102052821 554871858 /nfs/dbraw/zinc/87/18/58/554871858.db2.gz UIBFBDFVJFEPJI-VKGTZQKMSA-N 0 0 553.615 5.158 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2cc4c(cc2[C@@H]3c2ccc(Cl)c(Cl)c2)OCO4)cc1OC ZINC000102054442 554872426 /nfs/dbraw/zinc/87/24/26/554872426.db2.gz FBROOFYUKJGYTC-JWIGPWBQSA-N 0 0 524.400 6.698 50 30 KKEARN O=C(Nc1ccccc1Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102055146 554872673 /nfs/dbraw/zinc/87/26/73/554872673.db2.gz HLICCWUQNWROBZ-UHFFFAOYSA-N 0 0 518.067 6.126 50 30 KKEARN O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000102056993 554872844 /nfs/dbraw/zinc/87/28/44/554872844.db2.gz XDAUURQBBGNAOT-UHFFFAOYSA-N 0 0 528.212 5.794 50 30 KKEARN CCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc3c(c2)C(=O)[C@H](Sc2cccc4cccnc42)C3)C1=O ZINC000102057608 554873104 /nfs/dbraw/zinc/87/31/04/554873104.db2.gz LLBLXBWTJPYQCX-BFGHFXMOSA-N 0 0 612.880 9.885 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076460 554874535 /nfs/dbraw/zinc/87/45/35/554874535.db2.gz DKHAJTRMPUWITN-ZHJYXLETSA-N 0 0 511.618 6.057 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102076474 554874602 /nfs/dbraw/zinc/87/46/02/554874602.db2.gz DKHAJTRMPUWITN-YJMWBXFMSA-N 0 0 511.618 6.057 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076444 554874607 /nfs/dbraw/zinc/87/46/07/554874607.db2.gz HTCUYWYBNIZESF-FCLPXNLHSA-N 0 0 525.645 6.099 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102076718 554875055 /nfs/dbraw/zinc/87/50/55/554875055.db2.gz WZXJOAAHVFSGKY-YFVVEFNMSA-N 0 0 512.606 5.452 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102076734 554875163 /nfs/dbraw/zinc/87/51/63/554875163.db2.gz SWKARDYIBSDPNU-LODGOHBISA-N 0 0 512.606 5.452 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc(Cl)c3)N(CCc3ccccc3)C1=O)S2 ZINC000102143629 554888933 /nfs/dbraw/zinc/88/89/33/554888933.db2.gz PLPYCDSYOFQARN-CNPBBGJZSA-N 0 0 508.068 6.565 50 30 KKEARN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000102163853 554890349 /nfs/dbraw/zinc/89/03/49/554890349.db2.gz HELQEWNMIVNBBT-UHFFFAOYSA-N 0 0 510.362 5.454 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102168841 554890653 /nfs/dbraw/zinc/89/06/53/554890653.db2.gz MGVQDTGQKBHZTJ-IUKMQXEJSA-N 0 0 525.432 6.354 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000102168876 554890656 /nfs/dbraw/zinc/89/06/56/554890656.db2.gz GCTZVLKGAUFQJH-NPJIAGGLSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168902 554890974 /nfs/dbraw/zinc/89/09/74/554890974.db2.gz YFWITIXECHPITO-MIOXIQPJSA-N 0 0 548.724 5.471 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102169213 554891253 /nfs/dbraw/zinc/89/12/53/554891253.db2.gz KWYJJXAZTXCALJ-ZORLYMSLSA-N 0 0 548.639 6.839 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCC(C)C ZINC000102175147 554891678 /nfs/dbraw/zinc/89/16/78/554891678.db2.gz XZVQOTLDCDQNHY-CZNAVJSXSA-N 0 0 561.506 5.481 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175218 554891940 /nfs/dbraw/zinc/89/19/40/554891940.db2.gz CHZNZXJRVUETAG-IUKMQXEJSA-N 0 0 535.438 5.809 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175486 554892252 /nfs/dbraw/zinc/89/22/52/554892252.db2.gz DQQGLPDWHUBRMO-KFLIVHAJSA-N 0 0 584.713 5.966 50 30 KKEARN CCCCCCCCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000102225181 554899543 /nfs/dbraw/zinc/89/95/43/554899543.db2.gz JAXIFZBJYBJWNA-NRFANRHFSA-N 0 0 576.586 6.714 50 30 KKEARN C=C(C)CN(C)C(=O)[C@@H](Cc1ccccc1)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2CC ZINC000102237604 554902102 /nfs/dbraw/zinc/90/21/02/554902102.db2.gz UWVTWTSRPVGDCL-MVSFAKPFSA-N 0 0 564.686 5.307 50 30 KKEARN C=C(C)CN(C)C(=O)[C@H](Cc1ccccc1)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2CC ZINC000102237600 554902115 /nfs/dbraw/zinc/90/21/15/554902115.db2.gz UWVTWTSRPVGDCL-QCENPCRXSA-N 0 0 564.686 5.307 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102257687 554904749 /nfs/dbraw/zinc/90/47/49/554904749.db2.gz ALXXBSYENOTPNR-MUUNZHRXSA-N 0 0 515.679 6.163 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102257668 554904751 /nfs/dbraw/zinc/90/47/51/554904751.db2.gz PQSDQEAWSXQJFX-VWLOTQADSA-N 0 0 508.043 5.693 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)C3CCCCC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102258221 554904991 /nfs/dbraw/zinc/90/49/91/554904991.db2.gz HUHHJUYSKDYJIY-MHZLTWQESA-N 0 0 507.700 6.295 50 30 KKEARN CN/N=C(/C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299896 554908207 /nfs/dbraw/zinc/90/82/07/554908207.db2.gz DIBUZWOMXHYDIE-ZEDIYNIWSA-N 0 0 599.685 6.878 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000102309187 554909730 /nfs/dbraw/zinc/90/97/30/554909730.db2.gz NJYKBGJKTFTXRY-QGEDCXIHSA-N 0 0 569.727 5.151 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102368929 554915943 /nfs/dbraw/zinc/91/59/43/554915943.db2.gz GKCFINUPFQLWCE-AYWGPLOBSA-N 0 0 507.384 5.253 50 30 KKEARN Cc1cc(I)ccc1NC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000102402128 554920058 /nfs/dbraw/zinc/92/00/58/554920058.db2.gz BTERQXMEMGJOEL-UHFFFAOYSA-N 0 0 601.922 7.646 50 30 KKEARN CCCCCCCCNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)c(F)cc2c1=O ZINC000102407338 554922047 /nfs/dbraw/zinc/92/20/47/554922047.db2.gz HUAHFKNYYQCMDI-UHFFFAOYSA-N 0 0 581.132 6.182 50 30 KKEARN COC(=O)C(=Nc1ccccc1)C(C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000102416232 554924890 /nfs/dbraw/zinc/92/48/90/554924890.db2.gz FAYRQJCXZRKUOW-ZIADKAODSA-N 0 0 567.041 5.860 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102485037 554937869 /nfs/dbraw/zinc/93/78/69/554937869.db2.gz DTMGKUOOFOYWBL-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484861 554937960 /nfs/dbraw/zinc/93/79/60/554937960.db2.gz PABVTGRUJKJDKS-HOGKFDNTSA-N 0 0 520.994 5.902 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)cc2)cc1C ZINC000102489607 554939100 /nfs/dbraw/zinc/93/91/00/554939100.db2.gz SXXNYVLZDWEMTI-UUALVTFQSA-N 0 0 500.595 5.590 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccc(C)cc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000102493710 554940143 /nfs/dbraw/zinc/94/01/43/554940143.db2.gz FTJHDPOSVFKTCG-YKGWIAGDSA-N 0 0 540.063 7.118 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102496958 554941086 /nfs/dbraw/zinc/94/10/86/554941086.db2.gz KYXNLJLLQHZULP-ZORLYMSLSA-N 0 0 568.714 5.625 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102497619 554941334 /nfs/dbraw/zinc/94/13/34/554941334.db2.gz DLIKPPISLSMYPZ-RIEKNRFYSA-N 0 0 565.622 6.203 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102498345 554941510 /nfs/dbraw/zinc/94/15/10/554941510.db2.gz FXXADBVLRBCHDB-ZORLYMSLSA-N 0 0 564.638 5.998 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000102499517 554941829 /nfs/dbraw/zinc/94/18/29/554941829.db2.gz YFCPPBHEUULKFM-VEZPTTSMSA-N 0 0 600.613 9.491 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102501800 554943381 /nfs/dbraw/zinc/94/33/81/554943381.db2.gz ZVCMOLSQVBHVHS-WGGXKBPPSA-N 0 0 595.523 6.025 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102502923 554943648 /nfs/dbraw/zinc/94/36/48/554943648.db2.gz LLQWUZWEHUUGHT-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102503477 554944023 /nfs/dbraw/zinc/94/40/23/554944023.db2.gz XUJCSSREDOPDNV-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102507711 554945192 /nfs/dbraw/zinc/94/51/92/554945192.db2.gz SPJOWPMIZQJECS-UVDRRRQGSA-N 0 0 563.473 6.701 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102507966 554945201 /nfs/dbraw/zinc/94/52/01/554945201.db2.gz HROKQQDCPQZYMV-HOGKFDNTSA-N 0 0 500.382 5.101 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102508659 554945620 /nfs/dbraw/zinc/94/56/20/554945620.db2.gz ARBQNQQESBHTGX-NXLSWJSLSA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508951 554945734 /nfs/dbraw/zinc/94/57/34/554945734.db2.gz ZHIICVXSPNNISA-ZHHPLPSFSA-N 0 0 504.995 6.283 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102508724 554945790 /nfs/dbraw/zinc/94/57/90/554945790.db2.gz VAETUBJVTSHTJK-ONQGDUAMSA-N 0 0 582.678 6.450 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102513146 554947029 /nfs/dbraw/zinc/94/70/29/554947029.db2.gz PEKOSTQMVCLJQZ-WYNCGZBVSA-N 0 0 513.590 5.429 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102520297 554949330 /nfs/dbraw/zinc/94/93/30/554949330.db2.gz NDZPXKXJGZACOQ-QKJBWNOYSA-N 0 0 542.613 5.725 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102526551 554952238 /nfs/dbraw/zinc/95/22/38/554952238.db2.gz ZVDZRGJZTAKNGG-TXTDGAROSA-N 0 0 531.605 5.049 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530225 554953585 /nfs/dbraw/zinc/95/35/85/554953585.db2.gz MUXOSYLJUKLMIM-AHPONGEQSA-N 0 0 556.703 6.586 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531075 554953908 /nfs/dbraw/zinc/95/39/08/554953908.db2.gz KUZKDNGBJSDSIU-NPJIAGGLSA-N 0 0 530.602 5.729 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102530759 554953925 /nfs/dbraw/zinc/95/39/25/554953925.db2.gz HOZMRXMKEQBKPS-TXTDGAROSA-N 0 0 506.558 5.813 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531204 554953934 /nfs/dbraw/zinc/95/39/34/554953934.db2.gz YKNXEQHURLVANE-NXLSWJSLSA-N 0 0 502.592 6.346 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102533922 554954940 /nfs/dbraw/zinc/95/49/40/554954940.db2.gz VJLNSHHNSGNWRL-AYWGPLOBSA-N 0 0 516.575 5.257 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102535572 554955354 /nfs/dbraw/zinc/95/53/54/554955354.db2.gz QPBFNQLDMXNLKI-VEZPTTSMSA-N 0 0 593.721 8.406 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102535928 554955682 /nfs/dbraw/zinc/95/56/82/554955682.db2.gz RUOPKXJHGLHQRE-ICQXDZJJSA-N 0 0 541.644 6.065 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102539883 554957084 /nfs/dbraw/zinc/95/70/84/554957084.db2.gz VFUPRKIEELZDHI-AYWGPLOBSA-N 0 0 505.442 5.464 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102544730 554958677 /nfs/dbraw/zinc/95/86/77/554958677.db2.gz QMTRYSCYTFUDTA-QMMFTLRZSA-N 0 0 557.643 5.903 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546502 554959534 /nfs/dbraw/zinc/95/95/34/554959534.db2.gz IYHXMZSUDCZHGI-NXLSWJSLSA-N 0 0 565.047 6.164 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(OCCCCC)c(OC)c2)S/C1=N\S(=O)(=O)c1ccccc1 ZINC000102546843 554959540 /nfs/dbraw/zinc/95/95/40/554959540.db2.gz WIMCSLOYRCKFEM-CUHSDLGESA-N 0 0 500.642 5.111 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000102550606 554961764 /nfs/dbraw/zinc/96/17/64/554961764.db2.gz GHDQPNUKBRKSTN-ZHJYXLETSA-N 0 0 559.663 5.152 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550936 554961784 /nfs/dbraw/zinc/96/17/84/554961784.db2.gz BNOYMCOFZVUNPY-ZORLYMSLSA-N 0 0 620.683 6.672 50 30 KKEARN Cc1cc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc(Cl)n1 ZINC000102552166 554962527 /nfs/dbraw/zinc/96/25/27/554962527.db2.gz AZUCLOXZXMEOGW-GDLZYMKVSA-N 0 0 544.099 5.231 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102553433 554963174 /nfs/dbraw/zinc/96/31/74/554963174.db2.gz XINQQCBPBZFJNY-PLQDCEFPSA-N 0 0 593.680 5.696 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102553983 554963520 /nfs/dbraw/zinc/96/35/20/554963520.db2.gz IDKQRYIGJSPLJL-WENCHWOGSA-N 0 0 556.659 5.995 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555517 554964078 /nfs/dbraw/zinc/96/40/78/554964078.db2.gz RWQQUWIIFFJOOS-IKZPYDRGSA-N 0 0 590.698 6.181 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102556092 554964699 /nfs/dbraw/zinc/96/46/99/554964699.db2.gz HIKLZJMTTJPYPL-YYXRCVDTSA-N 0 0 558.612 5.359 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102559928 554967209 /nfs/dbraw/zinc/96/72/09/554967209.db2.gz SQXQRYOKLRHIHU-VEZPTTSMSA-N 0 0 583.169 9.151 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102562003 554968309 /nfs/dbraw/zinc/96/83/09/554968309.db2.gz MSXQZBHQAIGOEW-SBXHHDGASA-N 0 0 510.373 5.429 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102562771 554968677 /nfs/dbraw/zinc/96/86/77/554968677.db2.gz KUWBIPVPBQHEKA-FSDXSRJSSA-N 0 0 512.587 5.563 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102564822 554969725 /nfs/dbraw/zinc/96/97/25/554969725.db2.gz UXGRPSNYHSLLJZ-YSJQHINGSA-N 0 0 604.684 6.834 50 30 KKEARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)[C@H]1CCCC(=Cc2ccco2)C1=O ZINC000102597430 554977157 /nfs/dbraw/zinc/97/71/57/554977157.db2.gz LNWFOZSQLNZJSJ-SHHHYEESSA-N 0 0 524.400 5.733 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000102601498 554977651 /nfs/dbraw/zinc/97/76/51/554977651.db2.gz BHQPOPIVZRZVAJ-VEZPTTSMSA-N 0 0 503.727 8.590 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000102604239 554978230 /nfs/dbraw/zinc/97/82/30/554978230.db2.gz KABGCIREFKITNS-ZORLYMSLSA-N 0 0 517.754 8.898 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622243 554987459 /nfs/dbraw/zinc/98/74/59/554987459.db2.gz VUODOMBOSOMISA-VWLOTQADSA-N 0 0 574.655 5.849 50 30 KKEARN CCCCCCCCCCOc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000102626495 554988196 /nfs/dbraw/zinc/98/81/96/554988196.db2.gz CUJHSBQFZGUALX-UHFFFAOYSA-N 0 0 556.747 7.748 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102644062 554991426 /nfs/dbraw/zinc/99/14/26/554991426.db2.gz DLIKPPISLSMYPZ-NNZNMFTDSA-N 0 0 565.622 6.203 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102645050 554991960 /nfs/dbraw/zinc/99/19/60/554991960.db2.gz BSUDCSNARKTNDZ-TVKWNQJWSA-N 0 0 525.645 6.243 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102650845 554995563 /nfs/dbraw/zinc/99/55/63/554995563.db2.gz GNNFARCFDRFMIP-RKQXULEVSA-N 0 0 575.484 6.625 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102651921 554996076 /nfs/dbraw/zinc/99/60/76/554996076.db2.gz HDYTVSCYVDCQLG-JRWYTTBRSA-N 0 0 598.721 7.050 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651995 554996564 /nfs/dbraw/zinc/99/65/64/554996564.db2.gz DTLSHFFNFQUIQQ-YTOFDDCBSA-N 0 0 628.747 7.278 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102652745 554996890 /nfs/dbraw/zinc/99/68/90/554996890.db2.gz QNMGGBKRSFNCRR-HPASZNQBSA-N 0 0 518.616 5.706 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102653286 554997108 /nfs/dbraw/zinc/99/71/08/554997108.db2.gz MFIOCYLUGPBFDX-YZUJGMDRSA-N 0 0 614.720 6.832 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102653072 554997197 /nfs/dbraw/zinc/99/71/97/554997197.db2.gz LNHZPCFIJGPVSW-LOOKCOSASA-N 0 0 554.668 6.733 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102653147 554997221 /nfs/dbraw/zinc/99/72/21/554997221.db2.gz BFAWFCZXXIBMCL-UZGIXAGNSA-N 0 0 598.721 7.070 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102653921 554997331 /nfs/dbraw/zinc/99/73/31/554997331.db2.gz WQBLEUNPRHFSTC-HVSUUDSASA-N 0 0 510.615 6.171 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102653697 554997367 /nfs/dbraw/zinc/99/73/67/554997367.db2.gz HIKLZJMTTJPYPL-PEHBIRLUSA-N 0 0 558.612 5.359 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102654292 554997679 /nfs/dbraw/zinc/99/76/79/554997679.db2.gz UQZUJGLXYBHBSH-FZIYRNTBSA-N 0 0 540.641 6.343 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654827 554998069 /nfs/dbraw/zinc/99/80/69/554998069.db2.gz AUDFNXBJNCCLCH-NSOCNUKWSA-N 0 0 554.624 5.680 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102655858 554998656 /nfs/dbraw/zinc/99/86/56/554998656.db2.gz MVMSKDYEQDGIJJ-LOTNQUKISA-N 0 0 604.684 7.437 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655723 554998779 /nfs/dbraw/zinc/99/87/79/554998779.db2.gz LOTMYGWIBBGJJT-FZIYRNTBSA-N 0 0 620.724 6.156 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673594 555003204 /nfs/dbraw/zinc/00/32/04/555003204.db2.gz JSPULEZSPRKWOB-WKUSSTJHSA-N 0 0 572.658 6.954 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102673713 555003564 /nfs/dbraw/zinc/00/35/64/555003564.db2.gz JSYGJJPIIMUTJU-TVXPFAQOSA-N 0 0 560.672 6.173 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102689449 555007740 /nfs/dbraw/zinc/00/77/40/555007740.db2.gz QORCTSBGWYPVNN-WGGXKBPPSA-N 0 0 575.662 5.134 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1C ZINC000102695051 555010287 /nfs/dbraw/zinc/01/02/87/555010287.db2.gz BUJXHJAOWWUHNS-ZZIWUOEGSA-N 0 0 502.567 5.996 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102696037 555011160 /nfs/dbraw/zinc/01/11/60/555011160.db2.gz VCRTVANVXJERHL-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697542 555011838 /nfs/dbraw/zinc/01/18/38/555011838.db2.gz STXHBVRJBCZUJP-SBXHHDGASA-N 0 0 502.592 6.175 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000102698463 555012149 /nfs/dbraw/zinc/01/21/49/555012149.db2.gz GTQTYBSQQSIGNM-TXTDGAROSA-N 0 0 525.580 5.422 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102698681 555012421 /nfs/dbraw/zinc/01/24/21/555012421.db2.gz IHGSLGPZHWPBTC-QMMFTLRZSA-N 0 0 521.613 6.912 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102701459 555013053 /nfs/dbraw/zinc/01/30/53/555013053.db2.gz MSGQBGNFICHFSU-WGGXKBPPSA-N 0 0 529.633 5.821 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102701986 555013204 /nfs/dbraw/zinc/01/32/04/555013204.db2.gz VEAIFWKVYVICDD-ZHHPLPSFSA-N 0 0 504.995 6.201 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000102703145 555013428 /nfs/dbraw/zinc/01/34/28/555013428.db2.gz GHYYEWJQJHPWQA-GAPOMRBKSA-N 0 0 512.631 6.671 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1C ZINC000102703824 555013605 /nfs/dbraw/zinc/01/36/05/555013605.db2.gz PEGWPKVDVWBSOC-SBXHHDGASA-N 0 0 500.576 5.557 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102706824 555015101 /nfs/dbraw/zinc/01/51/01/555015101.db2.gz RFISJCASUGDWAH-MIOXIQPJSA-N 0 0 548.595 5.378 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707576 555015563 /nfs/dbraw/zinc/01/55/63/555015563.db2.gz SDJDTTHXULMRCK-ZHHPLPSFSA-N 0 0 504.539 5.338 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707663 555015613 /nfs/dbraw/zinc/01/56/13/555015613.db2.gz GBTQDECLEMFBBU-IUKMQXEJSA-N 0 0 516.594 6.411 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102708093 555015634 /nfs/dbraw/zinc/01/56/34/555015634.db2.gz QEIAZMUIVVDUOB-ONQGDUAMSA-N 0 0 540.685 7.181 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102708801 555015889 /nfs/dbraw/zinc/01/58/89/555015889.db2.gz SOCYRUURAWOANG-DFXXOVSGSA-N 0 0 514.622 5.098 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102711538 555016687 /nfs/dbraw/zinc/01/66/87/555016687.db2.gz YMGNVJSESVDBSH-ZHHPLPSFSA-N 0 0 504.995 6.147 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102711817 555016961 /nfs/dbraw/zinc/01/69/61/555016961.db2.gz RNZJEKGLSICVCV-MIOXIQPJSA-N 0 0 504.586 5.899 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102712627 555017317 /nfs/dbraw/zinc/01/73/17/555017317.db2.gz YQTHUKVBPRETLI-CJJGVWJISA-N 0 0 540.443 6.339 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713651 555017823 /nfs/dbraw/zinc/01/78/23/555017823.db2.gz KSQAPFSBZSLKNR-NPJIAGGLSA-N 0 0 533.049 6.927 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713653 555017960 /nfs/dbraw/zinc/01/79/60/555017960.db2.gz KSQAPFSBZSLKNR-IUKMQXEJSA-N 0 0 533.049 6.927 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102714016 555018035 /nfs/dbraw/zinc/01/80/35/555018035.db2.gz NMGMGQITZAPGPR-MRJHHRETSA-N 0 0 520.607 5.171 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714871 555018270 /nfs/dbraw/zinc/01/82/70/555018270.db2.gz HRFMLMPHJCJJCS-NPJIAGGLSA-N 0 0 549.048 6.546 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102714878 555018318 /nfs/dbraw/zinc/01/83/18/555018318.db2.gz UUQAENMSCDURPP-MIOXIQPJSA-N 0 0 539.584 5.893 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)c1 ZINC000102715010 555018326 /nfs/dbraw/zinc/01/83/26/555018326.db2.gz XIIJHCVBRXNMHK-UVDRRRQGSA-N 0 0 500.576 5.557 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102717075 555018829 /nfs/dbraw/zinc/01/88/29/555018829.db2.gz WXYQVORCPWZCNV-WGGXKBPPSA-N 0 0 513.634 6.156 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102717073 555018937 /nfs/dbraw/zinc/01/89/37/555018937.db2.gz WXYQVORCPWZCNV-MIOXIQPJSA-N 0 0 513.634 6.156 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102716902 555018989 /nfs/dbraw/zinc/01/89/89/555018989.db2.gz YQLLUERVHDSAFV-QKJBWNOYSA-N 0 0 530.602 5.565 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718163 555019347 /nfs/dbraw/zinc/01/93/47/555019347.db2.gz MSDAEVDOECGXCU-ZHHPLPSFSA-N 0 0 504.564 5.404 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102718950 555019632 /nfs/dbraw/zinc/01/96/32/555019632.db2.gz IUGXMXAOEDRMEL-SBXHHDGASA-N 0 0 546.601 5.265 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102719879 555019872 /nfs/dbraw/zinc/01/98/72/555019872.db2.gz MZUYPLLVZPIOAP-XXASTYAFSA-N 0 0 542.657 6.645 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102723587 555021094 /nfs/dbraw/zinc/02/10/94/555021094.db2.gz IMSAIIGGCTVUKQ-CJJGVWJISA-N 0 0 512.631 6.582 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102729373 555023003 /nfs/dbraw/zinc/02/30/03/555023003.db2.gz UMEBVYGPRMRAHC-ONQGDUAMSA-N 0 0 524.529 5.697 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102731524 555023766 /nfs/dbraw/zinc/02/37/66/555023766.db2.gz MUCUFUAOZOGQCW-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102732544 555024147 /nfs/dbraw/zinc/02/41/47/555024147.db2.gz ZBVZZQHAMZVUFM-TXTDGAROSA-N 0 0 542.035 5.936 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102734100 555024602 /nfs/dbraw/zinc/02/46/02/555024602.db2.gz DMMPIRKQADKBTM-CZNAVJSXSA-N 0 0 526.658 6.791 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000102734517 555024627 /nfs/dbraw/zinc/02/46/27/555024627.db2.gz DRBJGZSBPVAZOA-CJJGVWJISA-N 0 0 512.631 6.671 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102734814 555024982 /nfs/dbraw/zinc/02/49/82/555024982.db2.gz JEMZYCWPWGJGAB-TXTDGAROSA-N 0 0 531.605 5.049 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735586 555025875 /nfs/dbraw/zinc/02/58/75/555025875.db2.gz CQJMZSADGFEQTO-NYFCFKJUSA-N 0 0 595.076 7.692 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC[C@@H](C(=O)OCC)C3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102742739 555032597 /nfs/dbraw/zinc/03/25/97/555032597.db2.gz JOFJTIZXXWRMCJ-KCWPFWIISA-N 0 0 551.709 5.306 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746529 555039128 /nfs/dbraw/zinc/03/91/28/555039128.db2.gz PYSQJCDHJMMKCI-LITSAYRRSA-N 0 0 559.688 5.255 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770773 555058053 /nfs/dbraw/zinc/05/80/53/555058053.db2.gz XBCYGHQJRDOKSI-JEFHYQBXSA-N 0 0 512.393 5.025 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770841 555058316 /nfs/dbraw/zinc/05/83/16/555058316.db2.gz NSTLULFUDMMLLY-NIOKHIIOSA-N 0 0 575.484 6.625 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102770854 555058506 /nfs/dbraw/zinc/05/85/06/555058506.db2.gz DPJQGHMCRVQFKD-JVJOXMINSA-N 0 0 538.669 6.852 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770870 555058524 /nfs/dbraw/zinc/05/85/24/555058524.db2.gz CRLYBMABKQPXFA-SSELITHESA-N 0 0 542.632 6.683 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770876 555058545 /nfs/dbraw/zinc/05/85/45/555058545.db2.gz CRLYBMABKQPXFA-UJWLLDLUSA-N 0 0 542.632 6.683 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770943 555058961 /nfs/dbraw/zinc/05/89/61/555058961.db2.gz QWAFOVOHNLWIFG-HTUFKCTLSA-N 0 0 528.605 6.509 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771185 555059669 /nfs/dbraw/zinc/05/96/69/555059669.db2.gz ZOZYALPVZXONLJ-ZTLVYLBESA-N 0 0 512.587 5.568 50 30 KKEARN C/C=C\Cc1c(C)nc(SCc2c(C(=O)OCC)c3cc(O)c(Br)cc3n2C)c(C#N)c1C ZINC000102777803 555063834 /nfs/dbraw/zinc/06/38/34/555063834.db2.gz FCXIPUKAFYOFSF-VURMDHGXSA-N 0 0 528.472 6.118 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000102794901 555071228 /nfs/dbraw/zinc/07/12/28/555071228.db2.gz DPCJMOPOADEJOS-RUZDIDTESA-N 0 0 564.029 5.495 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102797483 555071833 /nfs/dbraw/zinc/07/18/33/555071833.db2.gz SGRRZUOUMGEQOO-UUALVTFQSA-N 0 0 509.562 5.196 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102798393 555072253 /nfs/dbraw/zinc/07/22/53/555072253.db2.gz PCTSJWPFDBWXDI-MOBKVPTQSA-N 0 0 504.608 5.686 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800115 555072342 /nfs/dbraw/zinc/07/23/42/555072342.db2.gz ZBZISSIWUDRNDW-MRJHHRETSA-N 0 0 511.372 5.370 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(OCC)cc3)c2C#N)cc1 ZINC000102812587 555075312 /nfs/dbraw/zinc/07/53/12/555075312.db2.gz GSMJNAGRIFEMMO-UHFFFAOYSA-N 0 0 566.683 6.709 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2C)cc1OC ZINC000102812625 555075318 /nfs/dbraw/zinc/07/53/18/555075318.db2.gz KQNYXCIBRHBIDM-UHFFFAOYSA-N 0 0 566.683 6.546 50 30 KKEARN O=C(NOC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000102831059 555078704 /nfs/dbraw/zinc/07/87/04/555078704.db2.gz FJLNOZNEOLQNFX-UHFFFAOYSA-N 0 0 565.680 6.135 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102857736 555088819 /nfs/dbraw/zinc/08/88/19/555088819.db2.gz AULHMKWAYYUZSM-DNNDWWBDSA-N 0 0 543.616 5.056 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCOC)ccc1OCc1ccccc1 ZINC000102857730 555088823 /nfs/dbraw/zinc/08/88/23/555088823.db2.gz AULHMKWAYYUZSM-QJGFIUGVSA-N 0 0 543.616 5.056 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102857477 555088876 /nfs/dbraw/zinc/08/88/76/555088876.db2.gz QYFHJWBWMSKCIK-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102857663 555088900 /nfs/dbraw/zinc/08/89/00/555088900.db2.gz GBMLKKOYUAUFTL-CJJGVWJISA-N 0 0 544.629 6.037 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102858617 555089330 /nfs/dbraw/zinc/08/93/30/555089330.db2.gz WHOXZLUZWAOROY-UVDRRRQGSA-N 0 0 518.566 5.696 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102859300 555089684 /nfs/dbraw/zinc/08/96/84/555089684.db2.gz DGBVGVYGXQPGKH-COUQNMRISA-N 0 0 515.547 5.456 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102859112 555089768 /nfs/dbraw/zinc/08/97/68/555089768.db2.gz OUCYFDNNKRJVFA-YREDKMEYSA-N 0 0 512.606 5.596 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860723 555090987 /nfs/dbraw/zinc/09/09/87/555090987.db2.gz BJQQYRAVGSJASN-MOBKVPTQSA-N 0 0 534.634 5.479 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102861621 555092001 /nfs/dbraw/zinc/09/20/01/555092001.db2.gz UAONMEGJPFSVNO-NPJIAGGLSA-N 0 0 514.603 6.028 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000102864250 555093830 /nfs/dbraw/zinc/09/38/30/555093830.db2.gz SMMOCBUOZCBPBV-VEZPTTSMSA-N 0 0 600.613 9.491 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864456 555094173 /nfs/dbraw/zinc/09/41/73/555094173.db2.gz DUOFRRLJEVBJBO-UVDRRRQGSA-N 0 0 563.473 6.701 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102864728 555094453 /nfs/dbraw/zinc/09/44/53/555094453.db2.gz XREPYOSVWPJKDS-UUALVTFQSA-N 0 0 546.620 5.217 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000102866394 555095754 /nfs/dbraw/zinc/09/57/54/555095754.db2.gz BURADZJQMZYIPG-MIOXIQPJSA-N 0 0 595.523 6.025 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102867175 555096603 /nfs/dbraw/zinc/09/66/03/555096603.db2.gz RIBVZVGGOFRWOL-RXDXAXPSSA-N 0 0 556.640 6.099 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867167 555096672 /nfs/dbraw/zinc/09/66/72/555096672.db2.gz UELHJSVIOGKXAE-IKZPYDRGSA-N 0 0 556.640 6.043 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102867207 555096759 /nfs/dbraw/zinc/09/67/59/555096759.db2.gz DDUQNSAIEBCUAE-NPJIAGGLSA-N 0 0 514.603 5.892 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867948 555097395 /nfs/dbraw/zinc/09/73/95/555097395.db2.gz BMCBXGUSHIPPNX-VZHVMDKCSA-N 0 0 591.085 6.697 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000102868699 555098235 /nfs/dbraw/zinc/09/82/35/555098235.db2.gz HOORSUKLGNEPKI-UHFFFAOYSA-N 0 0 558.675 7.281 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869287 555098880 /nfs/dbraw/zinc/09/88/80/555098880.db2.gz XRVNUZRLASPJSR-OUDMSJPASA-N 0 0 524.642 6.425 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869650 555099161 /nfs/dbraw/zinc/09/91/61/555099161.db2.gz WTTCCECBSHTVAU-JDSQIOQSSA-N 0 0 588.657 6.573 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869854 555099401 /nfs/dbraw/zinc/09/94/01/555099401.db2.gz KJLZSQLRWLCGBZ-GBIFRDBCSA-N 0 0 600.693 6.442 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869912 555099776 /nfs/dbraw/zinc/09/97/76/555099776.db2.gz FALOVJUBMUJRHH-FWOIGAHVSA-N 0 0 546.576 5.402 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102870103 555100180 /nfs/dbraw/zinc/10/01/80/555100180.db2.gz VXXGKWCJZVJXKV-SVNRFNMRSA-N 0 0 586.666 6.108 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870175 555100371 /nfs/dbraw/zinc/10/03/71/555100371.db2.gz XVIZRDQQAZZLMS-MDLGLMBTSA-N 0 0 618.711 7.224 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870204 555100479 /nfs/dbraw/zinc/10/04/79/555100479.db2.gz KWCDCQNRJQBABT-GRBPGWBESA-N 0 0 602.684 6.819 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870695 555100943 /nfs/dbraw/zinc/10/09/43/555100943.db2.gz YEOGAGWOQUCRTC-QJGFIUGVSA-N 0 0 568.695 7.123 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102872474 555102879 /nfs/dbraw/zinc/10/28/79/555102879.db2.gz MJQBHICZVIBMRH-IAMBOQNYSA-N 0 0 520.563 5.158 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102872883 555103517 /nfs/dbraw/zinc/10/35/17/555103517.db2.gz MJFJMVVEHWQTBB-SSEXGKCCSA-N 0 0 600.565 5.124 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102873785 555104030 /nfs/dbraw/zinc/10/40/30/555104030.db2.gz FTBNTIIKMNGNMJ-SBXHHDGASA-N 0 0 500.595 6.668 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102874236 555104364 /nfs/dbraw/zinc/10/43/64/555104364.db2.gz DSRBHABXIJZPBF-KQAPWQHSSA-N 0 0 514.603 5.947 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102874616 555104889 /nfs/dbraw/zinc/10/48/89/555104889.db2.gz PWWOIDQTPBRTJY-MIOXIQPJSA-N 0 0 548.724 5.615 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102875397 555105472 /nfs/dbraw/zinc/10/54/72/555105472.db2.gz ZPCOWYFGCHHAAP-WGGXKBPPSA-N 0 0 565.626 5.069 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102876535 555106133 /nfs/dbraw/zinc/10/61/33/555106133.db2.gz QWHIRKCRCIJDCR-AHPONGEQSA-N 0 0 546.667 6.888 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102876112 555106225 /nfs/dbraw/zinc/10/62/25/555106225.db2.gz YQQMNBCMLKIIPL-UUALVTFQSA-N 0 0 516.594 5.064 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000102877221 555106987 /nfs/dbraw/zinc/10/69/87/555106987.db2.gz ZMZTVCMPYOKSEH-VMODYCNZSA-N 0 0 564.638 5.545 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878171 555107610 /nfs/dbraw/zinc/10/76/10/555107610.db2.gz XEMXVXVXJSKQCP-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102878505 555107775 /nfs/dbraw/zinc/10/77/75/555107775.db2.gz HEWXQBGBNPMSMB-ZHHPLPSFSA-N 0 0 508.368 5.483 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102879174 555108383 /nfs/dbraw/zinc/10/83/83/555108383.db2.gz AMWADMNUOYWRIP-KFLIVHAJSA-N 0 0 584.713 6.110 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102879909 555109055 /nfs/dbraw/zinc/10/90/55/555109055.db2.gz BCIPCRVCFLIZSM-DNNDWWBDSA-N 0 0 527.617 5.472 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102880443 555109281 /nfs/dbraw/zinc/10/92/81/555109281.db2.gz IDDWEIBADOMXLZ-NPJIAGGLSA-N 0 0 533.496 6.100 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000102882313 555110780 /nfs/dbraw/zinc/11/07/80/555110780.db2.gz ZDUDQWFWCJUPOX-NPJIAGGLSA-N 0 0 535.438 5.953 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883839 555112182 /nfs/dbraw/zinc/11/21/82/555112182.db2.gz NTUXJUUDVICZJN-HAQIDCBSSA-N 0 0 530.577 5.784 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883819 555112251 /nfs/dbraw/zinc/11/22/51/555112251.db2.gz GKKKHLFDZCVXIK-BYHJQNISSA-N 0 0 612.748 7.296 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102883886 555112608 /nfs/dbraw/zinc/11/26/08/555112608.db2.gz LOIKPKBDODCKIW-SZYGQJGOSA-N 0 0 563.779 8.612 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884041 555112814 /nfs/dbraw/zinc/11/28/14/555112814.db2.gz AUZDSXGANKXCKC-ZHHPLPSFSA-N 0 0 518.660 6.680 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102884424 555113464 /nfs/dbraw/zinc/11/34/64/555113464.db2.gz MZDZAEGFFWFTKN-UUALVTFQSA-N 0 0 556.640 6.216 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884613 555113874 /nfs/dbraw/zinc/11/38/74/555113874.db2.gz YFWOYGQNZBQIRY-LXIOPLLASA-N 0 0 563.031 5.917 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884697 555114264 /nfs/dbraw/zinc/11/42/64/555114264.db2.gz RVAABEGGFIOPMS-NEMSTITPSA-N 0 0 576.671 5.757 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885004 555114765 /nfs/dbraw/zinc/11/47/65/555114765.db2.gz ITTVUIGMSANNNE-WNQPQFFOSA-N 0 0 526.614 5.953 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102885196 555115136 /nfs/dbraw/zinc/11/51/36/555115136.db2.gz ZGMHIIHZQHWRAY-WGGXKBPPSA-N 0 0 527.617 5.691 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102885130 555115168 /nfs/dbraw/zinc/11/51/68/555115168.db2.gz DYTNIDYBARGFRX-WYNCGZBVSA-N 0 0 528.605 5.214 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102886189 555116667 /nfs/dbraw/zinc/11/66/67/555116667.db2.gz MXJATKNHAQMWNF-QMMFTLRZSA-N 0 0 518.613 6.153 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886256 555116689 /nfs/dbraw/zinc/11/66/89/555116689.db2.gz SSSVFQUORNPMHA-VZHVMDKCSA-N 0 0 572.639 5.749 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886101 555116702 /nfs/dbraw/zinc/11/67/02/555116702.db2.gz CXUOICULPXPQJR-OBOIKQQTSA-N 0 0 554.624 5.649 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102886797 555117597 /nfs/dbraw/zinc/11/75/97/555117597.db2.gz QCOCDOUOUUDENN-VEZPTTSMSA-N 0 0 557.643 5.700 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887170 555118396 /nfs/dbraw/zinc/11/83/96/555118396.db2.gz MHINJCUHGYAIJX-QMMFTLRZSA-N 0 0 630.719 6.670 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887264 555118460 /nfs/dbraw/zinc/11/84/60/555118460.db2.gz CZDWUDHVZCYRSN-ZHHPLPSFSA-N 0 0 518.978 5.656 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102887426 555119154 /nfs/dbraw/zinc/11/91/54/555119154.db2.gz ZHVPRANSIWHHMM-GAPOMRBKSA-N 0 0 588.638 5.336 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102887393 555119267 /nfs/dbraw/zinc/11/92/67/555119267.db2.gz OZTDYJQKQYADMJ-JFTLGNCFSA-N 0 0 528.586 5.350 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887368 555119288 /nfs/dbraw/zinc/11/92/88/555119288.db2.gz WMOCAAURMBUKMR-RXDXAXPSSA-N 0 0 542.657 6.645 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887348 555119310 /nfs/dbraw/zinc/11/93/10/555119310.db2.gz AIDHPMBPRMNHNY-IZSGBISHSA-N 0 0 614.720 6.832 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102888045 555120847 /nfs/dbraw/zinc/12/08/47/555120847.db2.gz MABOUYRSTBPDQF-NXLSWJSLSA-N 0 0 563.473 6.646 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888243 555121113 /nfs/dbraw/zinc/12/11/13/555121113.db2.gz RJMHYKFXRBVHFH-QMNXYOJKSA-N 0 0 598.721 7.214 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000102889092 555122794 /nfs/dbraw/zinc/12/27/94/555122794.db2.gz JUINQCSOOCZZCJ-VEZPTTSMSA-N 0 0 582.623 9.352 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888951 555122844 /nfs/dbraw/zinc/12/28/44/555122844.db2.gz CHQCVWBAMOCWKO-LHKMDIPOSA-N 0 0 584.694 6.824 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889056 555122948 /nfs/dbraw/zinc/12/29/48/555122948.db2.gz QTAVQNLQKPLJCM-RTMQWWODSA-N 0 0 526.614 5.871 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102889468 555123782 /nfs/dbraw/zinc/12/37/82/555123782.db2.gz MAJBNTLMXCCAFL-NPJIAGGLSA-N 0 0 511.603 5.669 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889758 555124253 /nfs/dbraw/zinc/12/42/53/555124253.db2.gz KAFUPGWNMLNMOQ-JRPVAJNPSA-N 0 0 547.032 6.298 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1CC1CCCCC1 ZINC000102889881 555124470 /nfs/dbraw/zinc/12/44/70/555124470.db2.gz OCPCUODGSYAFEA-SANMLTNESA-N 0 0 552.515 6.316 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102890002 555124851 /nfs/dbraw/zinc/12/48/51/555124851.db2.gz HXEUMKANINIIOL-QMMFTLRZSA-N 0 0 557.643 5.700 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890076 555124993 /nfs/dbraw/zinc/12/49/93/555124993.db2.gz UPPQUOIYUXXAIC-XVTRYDTASA-N 0 0 606.697 5.765 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890259 555125333 /nfs/dbraw/zinc/12/53/33/555125333.db2.gz LMFXTJDJEBKINU-HWTUVFLMSA-N 0 0 584.694 6.680 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1Cc1cccnc1 ZINC000102890324 555125592 /nfs/dbraw/zinc/12/55/92/555125592.db2.gz WAXQAMCAOLZWSA-TXTDGAROSA-N 0 0 506.558 5.291 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890857 555126464 /nfs/dbraw/zinc/12/64/64/555126464.db2.gz DHPUYVJMFVPNBB-RFAFYKRUSA-N 0 0 572.639 5.580 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102891122 555126827 /nfs/dbraw/zinc/12/68/27/555126827.db2.gz MUGQYZSPADBXIW-WGGXKBPPSA-N 0 0 534.568 5.054 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102891301 555126862 /nfs/dbraw/zinc/12/68/62/555126862.db2.gz QKLRINVSLZGETP-AHPONGEQSA-N 0 0 568.198 9.252 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891091 555126886 /nfs/dbraw/zinc/12/68/86/555126886.db2.gz AIVIMROTDBANQX-FPRSLYQBSA-N 0 0 554.668 6.768 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891482 555127065 /nfs/dbraw/zinc/12/70/65/555127065.db2.gz FYKAOPJNFUYTGC-RPUIFAKWSA-N 0 0 546.645 5.701 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102891448 555127112 /nfs/dbraw/zinc/12/71/12/555127112.db2.gz CNZPIFYMDNJTKV-QBTYMPIYSA-N 0 0 554.668 6.552 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102891458 555127191 /nfs/dbraw/zinc/12/71/91/555127191.db2.gz CNZPIFYMDNJTKV-LLAWDOGUSA-N 0 0 554.668 6.552 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1cccc2ccccc21)[C@@H](O)c1ccccc1 ZINC000102892543 555128693 /nfs/dbraw/zinc/12/86/93/555128693.db2.gz YTELUSVWOMNINN-ZWXJPIIXSA-N 0 0 567.792 7.465 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892463 555128731 /nfs/dbraw/zinc/12/87/31/555128731.db2.gz XOSZUOHTEKFQFC-WBMUNJTESA-N 0 0 512.587 5.563 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892401 555128764 /nfs/dbraw/zinc/12/87/64/555128764.db2.gz OEQHJPVULFMRLI-KLNYLHOZSA-N 0 0 621.509 6.340 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893179 555130268 /nfs/dbraw/zinc/13/02/68/555130268.db2.gz LPJCGBSAWPYSKM-QMWVLESOSA-N 0 0 618.711 7.224 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893237 555130595 /nfs/dbraw/zinc/13/05/95/555130595.db2.gz QKFYOLXCNLDDND-DHJMZRGKSA-N 0 0 526.614 5.873 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000102893305 555130610 /nfs/dbraw/zinc/13/06/10/555130610.db2.gz VZYUIMCQTCUOMX-QMMFTLRZSA-N 0 0 593.721 8.406 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102893780 555131691 /nfs/dbraw/zinc/13/16/91/555131691.db2.gz HCYKITXKKVQGDS-VIDUVWHZSA-N 0 0 569.698 6.642 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894069 555132016 /nfs/dbraw/zinc/13/20/16/555132016.db2.gz GAOWGJPUHSDPMO-CJJGVWJISA-N 0 0 574.611 5.110 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894677 555132850 /nfs/dbraw/zinc/13/28/50/555132850.db2.gz LFAKLNLXGLNMGT-CGKJMNDRSA-N 0 0 547.032 6.298 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102894879 555133237 /nfs/dbraw/zinc/13/32/37/555133237.db2.gz REGYEVKXZRNNSI-DFXXOVSGSA-N 0 0 523.541 5.252 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102895015 555133555 /nfs/dbraw/zinc/13/35/55/555133555.db2.gz JOCZGKAXWYVWDI-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102895546 555134680 /nfs/dbraw/zinc/13/46/80/555134680.db2.gz BJWDZUBGSUEYBD-CFQDGGCTSA-N 0 0 591.660 6.100 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895640 555134985 /nfs/dbraw/zinc/13/49/85/555134985.db2.gz LMQXEFVJGNISHN-LHKMDIPOSA-N 0 0 584.694 6.824 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895734 555135181 /nfs/dbraw/zinc/13/51/81/555135181.db2.gz DLXDGKNWRPSBQC-CJJGVWJISA-N 0 0 558.612 5.491 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000102896571 555136594 /nfs/dbraw/zinc/13/65/94/555136594.db2.gz CWFGLWYTGJEABI-VEZPTTSMSA-N 0 0 556.162 9.382 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102897833 555137846 /nfs/dbraw/zinc/13/78/46/555137846.db2.gz GJTAZYAZOLELDF-VEZPTTSMSA-N 0 0 533.628 5.657 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102897398 555137873 /nfs/dbraw/zinc/13/78/73/555137873.db2.gz WHPLVPSDWKKUAH-KFLIVHAJSA-N 0 0 563.779 8.607 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102899306 555138843 /nfs/dbraw/zinc/13/88/43/555138843.db2.gz MFWFIHNKYWZJBQ-YJMWBXFMSA-N 0 0 559.663 5.296 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000102899762 555139588 /nfs/dbraw/zinc/13/95/88/555139588.db2.gz HQNCNAMBBOPZBZ-ICQXDZJJSA-N 0 0 556.659 5.851 50 30 KKEARN O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000102909318 555142243 /nfs/dbraw/zinc/14/22/43/555142243.db2.gz VZOMCAJYMHOTIZ-AREMUKBSSA-N 0 0 573.026 5.843 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C1=O)CCCC2 ZINC000102912251 555142901 /nfs/dbraw/zinc/14/29/01/555142901.db2.gz ZEKGEUXQBBSNIS-XPWALMASSA-N 0 0 534.981 5.111 50 30 KKEARN O=C(/C=C\c1ccc(Br)cc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1Cl ZINC000102920982 555146362 /nfs/dbraw/zinc/14/63/62/555146362.db2.gz UEJNFXPLPXJDPD-GHXNOFRVSA-N 0 0 543.642 7.270 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(C)=Nc3nc(SCc4ccc(Cl)cc4)nn32)cc1 ZINC000102922444 555147357 /nfs/dbraw/zinc/14/73/57/555147357.db2.gz BMXDVIGZJRDIEW-XMMPIXPASA-N 0 0 537.472 7.058 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924578 555148607 /nfs/dbraw/zinc/14/86/07/555148607.db2.gz VTZLPRVHUHXMOV-NPJIAGGLSA-N 0 0 546.601 5.347 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102924841 555148985 /nfs/dbraw/zinc/14/89/85/555148985.db2.gz KPFPCTXEEQZSGL-KFLIVHAJSA-N 0 0 591.793 8.564 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102924843 555148990 /nfs/dbraw/zinc/14/89/90/555148990.db2.gz KPFPCTXEEQZSGL-SZYGQJGOSA-N 0 0 591.793 8.564 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102926412 555150769 /nfs/dbraw/zinc/15/07/69/555150769.db2.gz NJJRWEJWDNYZJP-IUKMQXEJSA-N 0 0 512.631 6.537 50 30 KKEARN O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000102927828 555152649 /nfs/dbraw/zinc/15/26/49/555152649.db2.gz OVRUIYJQHJWJRX-UHFFFAOYSA-N 0 0 540.335 6.514 50 30 KKEARN O=C(CSc1ccc([S@](=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000102927814 555152697 /nfs/dbraw/zinc/15/26/97/555152697.db2.gz CPRZPICOKUYGJD-PSXMRANNSA-N 0 0 572.402 6.242 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102928608 555154151 /nfs/dbraw/zinc/15/41/51/555154151.db2.gz DKPXVVUSEOIULV-ZHHPLPSFSA-N 0 0 500.576 5.557 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102928606 555154191 /nfs/dbraw/zinc/15/41/91/555154191.db2.gz DKPXVVUSEOIULV-AYWGPLOBSA-N 0 0 500.576 5.557 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102929546 555155263 /nfs/dbraw/zinc/15/52/63/555155263.db2.gz QCVLSBZHYNOTOQ-NXLSWJSLSA-N 0 0 502.567 6.194 50 30 KKEARN CCCCCCCCCOc1ccc(-n2c(N)c(C(=O)Nc3cccc4ccccc43)c3nc4ccccc4nc32)cc1 ZINC000102930571 555157320 /nfs/dbraw/zinc/15/73/20/555157320.db2.gz RQEILWIXZJCEGD-UHFFFAOYSA-N 0 0 571.725 8.691 50 30 KKEARN N#Cc1c(N2CC(=O)N(c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)CC2=O)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102931284 555158564 /nfs/dbraw/zinc/15/85/64/555158564.db2.gz QFOCJUOXFLYFBB-UHFFFAOYSA-N 0 0 600.634 7.664 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102932538 555160294 /nfs/dbraw/zinc/16/02/94/555160294.db2.gz GLFWUFNYJVZHKE-HKBQPEDESA-N 0 0 598.725 5.662 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(NCCCCCCC)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000102934869 555162004 /nfs/dbraw/zinc/16/20/04/555162004.db2.gz UTQGXYXLAGBIFI-UHFFFAOYSA-N 0 0 628.857 10.667 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000102934910 555162307 /nfs/dbraw/zinc/16/23/07/555162307.db2.gz FAGMWUHKXRGLDI-PYCUTIABSA-N 0 0 576.649 6.005 50 30 KKEARN CCCCC(=O)C1=C(NCCCCCCNC2=C(C(=O)CCCC)C(=O)C[C@@H](c3ccccc3)C2)C[C@@H](c2ccccc2)CC1=O ZINC000102935296 555162437 /nfs/dbraw/zinc/16/24/37/555162437.db2.gz WWVLPVCYBPUOOK-MEKGRNQZSA-N 0 0 624.866 8.046 50 30 KKEARN Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1cccs1)C1=C(CCCC1=O)N2 ZINC000102935539 555162884 /nfs/dbraw/zinc/16/28/84/555162884.db2.gz ZWUJAMGJWYLIAP-HHHXNRCGSA-N 0 0 571.628 7.678 50 30 KKEARN O=C(c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C1=C2SC=C(c3ccc(F)cc3)N2CCCC1 ZINC000102935559 555162935 /nfs/dbraw/zinc/16/29/35/555162935.db2.gz ZKVPJXBDYMFZCB-UHFFFAOYSA-N 0 0 546.689 6.198 50 30 KKEARN O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102938461 555167049 /nfs/dbraw/zinc/16/70/49/555167049.db2.gz PMTLBUJULNQIIL-HSZRJFAPSA-N 0 0 618.527 5.723 50 30 KKEARN O=S(=O)(/N=C(\c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000102939870 555168452 /nfs/dbraw/zinc/16/84/52/555168452.db2.gz QXGMFZORLNVTLT-NHQGMKOOSA-N 0 0 513.638 5.368 50 30 KKEARN CCOC(=O)C1CCN(c2nc3ccccc3nc2Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1 ZINC000102940643 555169446 /nfs/dbraw/zinc/16/94/46/555169446.db2.gz ZKOBPMANOCHNCE-UHFFFAOYSA-N 0 0 543.627 6.952 50 30 KKEARN O=C1c2ccccc2C(=CNc2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)C(=O)N1c1ccccc1C(F)(F)F ZINC000102943025 555170829 /nfs/dbraw/zinc/17/08/29/555170829.db2.gz GJQGQUPCOVPCDP-AQTBWJFISA-N 0 0 590.426 7.833 50 30 KKEARN CCOP(=O)(OCC)C(C)(C)/N=C1\S[C@](c2ccc(Cl)cc2)(C(F)(F)F)NC(=O)N1c1ccccc1 ZINC000102947410 555171892 /nfs/dbraw/zinc/17/18/92/555171892.db2.gz DSNSFJGLIDLNIP-DCVRHQNFSA-N 0 0 563.966 7.376 50 30 KKEARN CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000102964232 555179969 /nfs/dbraw/zinc/17/99/69/555179969.db2.gz IQLBKMQSMVEUHD-HBMYTODVSA-N 0 0 571.752 5.140 50 30 biogenic KKEARN O=C1Nc2c(cc(Cl)cc2Cl)C1=NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000102983662 555189377 /nfs/dbraw/zinc/18/93/77/555189377.db2.gz YMGWPOFQHHPVKY-UHFFFAOYSA-N 0 0 540.772 5.124 50 30 KKEARN CCCCOc1ccc(C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c2nc3ccccc3o2)cc1 ZINC000102987157 555191129 /nfs/dbraw/zinc/19/11/29/555191129.db2.gz KWWQVBAWBQJMBQ-HKOYGPOVSA-N 0 0 532.423 8.997 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000102992383 555193165 /nfs/dbraw/zinc/19/31/65/555193165.db2.gz BAVQPOFYHCSBIR-UHFFFAOYSA-N 0 0 510.686 5.724 50 30 KKEARN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000102995435 555194976 /nfs/dbraw/zinc/19/49/76/555194976.db2.gz CCMWOGRUXUPFIB-UHFFFAOYSA-N 0 0 513.746 6.338 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C1CCCCC1 ZINC000102995596 555195147 /nfs/dbraw/zinc/19/51/47/555195147.db2.gz GUZAWPGVRVYYHM-UHFFFAOYSA-N 0 0 500.724 7.328 50 30 KKEARN CCCCCCCCC(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000102996023 555195444 /nfs/dbraw/zinc/19/54/44/555195444.db2.gz IOYBYRDGTTVLID-SSEXGKCCSA-N 0 0 509.760 5.897 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)[C@@H](C)CC ZINC000102997454 555196968 /nfs/dbraw/zinc/19/69/68/555196968.db2.gz YPKIUFRCGNCVEA-VWLOTQADSA-N 0 0 528.734 6.636 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@@H](C)CC ZINC000102998162 555197451 /nfs/dbraw/zinc/19/74/51/555197451.db2.gz IVISPJKNNJWORQ-UWJYYQICSA-N 0 0 523.541 6.578 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccc(OC)c(OC)c3)ccc2OC)CC1 ZINC000102998949 555198211 /nfs/dbraw/zinc/19/82/11/555198211.db2.gz XNMNWOAFFPYYIV-UHFFFAOYSA-N 0 0 617.853 5.755 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2OC)CC1 ZINC000102998954 555198213 /nfs/dbraw/zinc/19/82/13/555198213.db2.gz KYAAQPMBGTYUHA-UHFFFAOYSA-N 0 0 559.773 5.708 50 30 KKEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1 ZINC000102998980 555198459 /nfs/dbraw/zinc/19/84/59/555198459.db2.gz NJZDRQSAZRPFQD-UHFFFAOYSA-N 0 0 561.764 5.535 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)CC(C)C ZINC000102999632 555199303 /nfs/dbraw/zinc/19/93/03/555199303.db2.gz AZKLXXKJOWXFII-UHFFFAOYSA-N 0 0 516.767 7.822 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000102999599 555199333 /nfs/dbraw/zinc/19/93/33/555199333.db2.gz CWEQQJFOKLNLEX-UHFFFAOYSA-N 0 0 512.691 6.697 50 30 KKEARN COc1ccc(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nc3ccccc3c2=O)cc1OC ZINC000103000105 555200012 /nfs/dbraw/zinc/20/00/12/555200012.db2.gz BAXVPCAKRAVOQL-WPWMEQJKSA-N 0 0 527.646 5.376 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccccc2C)cc1 ZINC000103000901 555200739 /nfs/dbraw/zinc/20/07/39/555200739.db2.gz HKCRFMPHEAPMEL-UHFFFAOYSA-N 0 0 518.746 8.670 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 ZINC000103000911 555200781 /nfs/dbraw/zinc/20/07/81/555200781.db2.gz FJKKRTZHNDROAD-GDLZYMKVSA-N 0 0 527.750 7.640 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000103008452 555205272 /nfs/dbraw/zinc/20/52/72/555205272.db2.gz JYEVRVAMUHBXDT-BIYCFNCWSA-N 0 0 584.644 5.362 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@@H](C)C2)SC1=S ZINC000103010037 555205755 /nfs/dbraw/zinc/20/57/55/555205755.db2.gz FTQVTBMLOAFGBN-ASIXBHFTSA-N 0 0 526.772 6.047 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011458 555206285 /nfs/dbraw/zinc/20/62/85/555206285.db2.gz LFIDVVLGZFQXDM-PISWEHOVSA-N 0 0 583.703 5.268 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000103015304 555208655 /nfs/dbraw/zinc/20/86/55/555208655.db2.gz LOORUSISKIXVPC-UHFFFAOYSA-N 0 0 562.113 5.004 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1 ZINC000103015655 555209143 /nfs/dbraw/zinc/20/91/43/555209143.db2.gz KYSJURNKQPQNPI-UHFFFAOYSA-N 0 0 592.139 5.013 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccsc1 ZINC000103017091 555210023 /nfs/dbraw/zinc/21/00/23/555210023.db2.gz ZYHZGJAWFLRQLF-YMPZKCBVSA-N 0 0 582.600 5.514 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCC)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000103026479 555216402 /nfs/dbraw/zinc/21/64/02/555216402.db2.gz CHMNSHKZUUCHOV-QFIPXVFZSA-N 0 0 521.605 6.327 50 30 KKEARN C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)s3)cc2C1=O ZINC000103026583 555216455 /nfs/dbraw/zinc/21/64/55/555216455.db2.gz DXNMEXIWBBNPJS-UHFFFAOYSA-N 0 0 534.424 6.818 50 30 KKEARN N#CCc1ccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103030213 555218684 /nfs/dbraw/zinc/21/86/84/555218684.db2.gz DUVBNXCSKKQGFS-HHHXNRCGSA-N 0 0 557.016 6.532 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1Cl ZINC000103049118 555231118 /nfs/dbraw/zinc/23/11/18/555231118.db2.gz SCAJZQYNHRKLRD-UHFFFAOYSA-N 0 0 582.531 5.186 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000103055920 555237226 /nfs/dbraw/zinc/23/72/26/555237226.db2.gz MDLMBRKXRKKZJN-UHFFFAOYSA-N 0 0 587.872 5.769 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000103064238 555244923 /nfs/dbraw/zinc/24/49/23/555244923.db2.gz CQGQHFIXXFTPKF-UHFFFAOYSA-N 0 0 545.020 5.203 50 30 KKEARN CCOc1cc(C=NNc2cccc(Br)c2)cc(Br)c1OCC(=O)NCCc1ccccc1 ZINC000103069215 555249853 /nfs/dbraw/zinc/24/98/53/555249853.db2.gz DSURAAKPRKAXGV-MWLSYYOVSA-N 0 0 575.301 5.794 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCCCCC2)ccc1Cl ZINC000103078252 555256844 /nfs/dbraw/zinc/25/68/44/555256844.db2.gz SXFQBWLVVVAEMU-UHFFFAOYSA-N 0 0 553.508 5.761 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000103080168 555259010 /nfs/dbraw/zinc/25/90/10/555259010.db2.gz HUWBSMZVQFCWCC-YTTGMZPUSA-N 0 0 580.662 6.339 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000103103358 555280982 /nfs/dbraw/zinc/28/09/82/555280982.db2.gz DGVSBHQHKXFYBM-OAQYLSRUSA-N 0 0 539.811 7.798 50 30 KKEARN N#Cc1ccc(CO[C@@H](CN2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103113350 555286395 /nfs/dbraw/zinc/28/63/95/555286395.db2.gz LXPYFUZVOIJXIA-LJAQVGFWSA-N 0 0 585.173 6.742 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)cc1 ZINC000103114560 555287297 /nfs/dbraw/zinc/28/72/97/555287297.db2.gz HBQWAYLRTWSPMK-QFIPXVFZSA-N 0 0 538.689 5.432 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000103118830 555289268 /nfs/dbraw/zinc/28/92/68/555289268.db2.gz ITAYTLGXMUHTIW-OAQYLSRUSA-N 0 0 563.818 7.506 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000103124546 555292326 /nfs/dbraw/zinc/29/23/26/555292326.db2.gz JOOAAXASNPPBKU-UHFFFAOYSA-N 0 0 502.040 6.598 50 30 KKEARN COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)cc(-c4cccc(OC)c4OC)c3C#N)C2=O)cc1 ZINC000103128945 555297510 /nfs/dbraw/zinc/29/75/10/555297510.db2.gz MTPCPCSVADOLNM-MHZLTWQESA-N 0 0 551.624 5.737 50 30 KKEARN N#Cc1ccsc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000103132690 555302358 /nfs/dbraw/zinc/30/23/58/555302358.db2.gz MARGRKDNCMDVQU-UHFFFAOYSA-N 0 0 566.060 5.464 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccc(Br)c2)cc1C ZINC000103143819 555311986 /nfs/dbraw/zinc/31/19/86/555311986.db2.gz VXGDIJKFTPFKKL-AYWGPLOBSA-N 0 0 516.432 5.395 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3/C(=O)Nc4c3cc(C)cc4Br)C(=O)N2c2ccc(C)cc2)cc1 ZINC000103151162 555317133 /nfs/dbraw/zinc/31/71/33/555317133.db2.gz VSFDNZHPYCQYRI-HCCUATPXSA-N 0 0 518.436 6.505 50 30 KKEARN CCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1N(Cc1cccc(C)c1)C(=O)c1ccc(OC)cc1 ZINC000103155166 555319416 /nfs/dbraw/zinc/31/94/16/555319416.db2.gz KVIMUKZPTALYLX-IWWXRALLSA-N 0 0 575.794 6.425 50 30 KKEARN CC(C)NC(=O)[C@]1(OCc2ccccc2C#N)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccc(C(F)(F)F)cc2)C1 ZINC000103155694 555319444 /nfs/dbraw/zinc/31/94/44/555319444.db2.gz WOEFTZAXWLGSPI-YKKMPQLRSA-N 0 0 546.586 5.256 50 30 KKEARN CCCCCCCCCC(=O)N(CCCOCC)CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000103208974 555339465 /nfs/dbraw/zinc/33/94/65/555339465.db2.gz ADIJDLSPYGBXTA-UHFFFAOYSA-N 0 0 516.698 6.652 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3C#N)(C(=O)NCC3CC3)C[C@@H](OCc3cccc(OC(F)(F)F)c3)[C@@H]2O1 ZINC000103377105 555370081 /nfs/dbraw/zinc/37/00/81/555370081.db2.gz NNFZYKJHCJKCTR-NANFOGFDSA-N 0 0 574.596 5.138 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000103421785 555402858 /nfs/dbraw/zinc/40/28/58/555402858.db2.gz MDEQYCPCVVMQIJ-UHFFFAOYSA-N 0 0 533.657 5.046 50 30 KKEARN N#Cc1cccc([C@@H](CC(=O)NCCc2ccccn2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000103428959 555411747 /nfs/dbraw/zinc/41/17/47/555411747.db2.gz PMWKMJHUHOVFQC-MUUNZHRXSA-N 0 0 537.038 6.630 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OCC#N)cc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103521390 555426581 /nfs/dbraw/zinc/42/65/81/555426581.db2.gz KADKFKIVIXTPDQ-XWSGIVAFSA-N 0 0 581.628 5.579 50 30 KKEARN OC(c1ccc2c(c1)C=Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N2)(C(F)(F)F)C(F)(F)F ZINC000103542917 555439339 /nfs/dbraw/zinc/43/93/39/555439339.db2.gz OLPSZVBYLVEAGY-UHFFFAOYSA-N 0 0 525.289 6.538 50 30 KKEARN C[C@]1(/C=N/OC(=O)Nc2ccc(Cl)c(Cl)c2)CS/C(=N\OC(=O)Nc2ccc(Cl)c(Cl)c2)S1 ZINC000103546241 555440629 /nfs/dbraw/zinc/44/06/29/555440629.db2.gz GAKXVXUYTVYEER-TYYYRVIXSA-N 0 0 568.291 7.593 50 30 KKEARN C=CC(=O)OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000103548185 555441963 /nfs/dbraw/zinc/44/19/63/555441963.db2.gz DQIUCVXYBXGOCT-CAHLUQPWSA-N 0 0 536.134 5.588 50 30 KKEARN C=CC(=O)OC[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000103548194 555441976 /nfs/dbraw/zinc/44/19/76/555441976.db2.gz DQIUCVXYBXGOCT-IYSWYEEDSA-N 0 0 536.134 5.588 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C2 ZINC000103549698 555442674 /nfs/dbraw/zinc/44/26/74/555442674.db2.gz LXHNKNGJUIZBMK-NGSAJZIASA-N 0 0 591.615 7.337 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000103549696 555442703 /nfs/dbraw/zinc/44/27/03/555442703.db2.gz LXHNKNGJUIZBMK-YXHOEARMSA-N 0 0 591.615 7.337 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000103561039 555449022 /nfs/dbraw/zinc/44/90/22/555449022.db2.gz XHDHEPGZAMPTHA-KRWDZBQOSA-N 0 0 601.249 5.969 50 30 KKEARN CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000103576196 555450981 /nfs/dbraw/zinc/45/09/81/555450981.db2.gz CHUHNWOCANGNIR-KIBIPHAFSA-N 0 0 593.766 5.393 50 30 KKEARN N#Cc1c(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000103610016 555455366 /nfs/dbraw/zinc/45/53/66/555455366.db2.gz GHRPIPMYBYZYEP-UHFFFAOYSA-N 0 0 534.563 6.904 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/N=C(C(=N\N=C\c2ccc([N+](=O)[O-])cc2)/c2ccccc2)\c2ccccc2)cc1 ZINC000103612636 555455720 /nfs/dbraw/zinc/45/57/20/555455720.db2.gz AZBZUJRDGCKILS-GVOSPYTRSA-N 0 0 504.506 5.850 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103613417 555455910 /nfs/dbraw/zinc/45/59/10/555455910.db2.gz IBLOBTNDDZOBNZ-KMXUMHSJSA-N 0 0 585.616 6.104 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000103682258 555462310 /nfs/dbraw/zinc/46/23/10/555462310.db2.gz GNJBGKKTEDJJRU-OFWBYEQRSA-N 0 0 615.727 5.917 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)CCC/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000103722682 555465116 /nfs/dbraw/zinc/46/51/16/555465116.db2.gz KCISOVCVFXABNH-ARHRGINZSA-N 0 0 542.475 9.464 50 30 KKEARN CCCOc1c(I)cc(/C=C2/S/C(=N\c3ccccc3OC)NC2=O)cc1OCC ZINC000103728986 555465500 /nfs/dbraw/zinc/46/55/00/555465500.db2.gz DIKHYTMBITZZOZ-CPNJWEJPSA-N 0 0 538.407 5.379 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C#N ZINC000103756893 555469814 /nfs/dbraw/zinc/46/98/14/555469814.db2.gz IDYXDIXBHUWGSO-LUOAPIJWSA-N 0 0 589.244 5.866 50 30 KKEARN O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000103758861 555470840 /nfs/dbraw/zinc/47/08/40/555470840.db2.gz JOCHVFPJLYHKBI-UHFFFAOYSA-N 0 0 534.556 6.847 50 30 KKEARN C=C(C)[C@H]1CC[C@@]2(COC(=O)/C=C/c3ccccc3)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253502580 560037897 /nfs/dbraw/zinc/03/78/97/560037897.db2.gz LXCNPSDULNZQOW-DZASNDFMSA-N 0 0 572.874 9.262 50 30 biogenic,in-vitro KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771380 562678121 /nfs/dbraw/zinc/67/81/21/562678121.db2.gz BCFOEQUSQTUMAU-KUWYHPFGSA-N 0 0 564.811 8.067 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000100735623 571361119 /nfs/dbraw/zinc/36/11/19/571361119.db2.gz CBVCAPNMASKFQE-PMERELPUSA-N 0 0 556.659 5.487 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000103848656 571363980 /nfs/dbraw/zinc/36/39/80/571363980.db2.gz LLSXXIVNAMTZMB-OEAKJJBVSA-N 0 0 616.892 6.682 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000103848671 571364026 /nfs/dbraw/zinc/36/40/26/571364026.db2.gz RLONFKJCRHWUAX-PCLIKHOPSA-N 0 0 582.049 6.318 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000103848687 571364049 /nfs/dbraw/zinc/36/40/49/571364049.db2.gz UUSBIKFYHVOOCL-HZHRSRAPSA-N 0 0 582.447 6.029 50 30 KKEARN COc1ccc(C(=O)/C=C\C2=C(c3ccc(OC)c(OC)c3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1OC ZINC000103872258 571368311 /nfs/dbraw/zinc/36/83/11/571368311.db2.gz FPAASFJJJJZWAD-MAOANKDLSA-N 0 0 548.635 7.404 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/CCCCCCCCCCCCCCCCCC ZINC000103884415 571368581 /nfs/dbraw/zinc/36/85/81/571368581.db2.gz NUMZKRGEDBVNMF-DLADMRFFSA-N 0 0 585.924 9.785 50 30 KKEARN CCCCCCCCCCCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000103924240 571369932 /nfs/dbraw/zinc/36/99/32/571369932.db2.gz LMDIFJYQLYTLFD-YYDJUVGSSA-N 0 0 519.773 7.531 50 30 KKEARN CC(C)N=C1N(C(C)C)C(=O)[C@]1(C(=O)C(C)(C)C)[C@@]1(C(C)(C)C)OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 ZINC000103983217 571370722 /nfs/dbraw/zinc/37/07/22/571370722.db2.gz YBWZIPXMMDIXFE-DHYJJIAESA-N 0 0 546.749 5.877 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000104070637 571372169 /nfs/dbraw/zinc/37/21/69/571372169.db2.gz VMXUCXYWQZSTAT-UUALVTFQSA-N 0 0 516.594 5.151 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000104186019 571376300 /nfs/dbraw/zinc/37/63/00/571376300.db2.gz CSVWILWTZFDXAZ-ZHHPLPSFSA-N 0 0 516.432 5.251 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000104197994 571376679 /nfs/dbraw/zinc/37/66/79/571376679.db2.gz LDKSJWWMRFEGBO-DFXXOVSGSA-N 0 0 515.606 5.890 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000104200536 571376794 /nfs/dbraw/zinc/37/67/94/571376794.db2.gz UDCWKLSZAQHGEV-ZHHPLPSFSA-N 0 0 516.432 5.251 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000104755055 571385769 /nfs/dbraw/zinc/38/57/69/571385769.db2.gz UYYFVOIBQZFUNG-FESMNKHTSA-N 0 0 551.705 5.768 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000105166792 571391915 /nfs/dbraw/zinc/39/19/15/571391915.db2.gz LJIZMIMCHYDAGC-DSTBRKOWSA-N 0 0 596.756 7.293 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)cc1OC ZINC000105548449 571407530 /nfs/dbraw/zinc/40/75/30/571407530.db2.gz DSMJCBGWQRCKMW-LAUBAEHRSA-N 0 0 531.560 5.625 50 30 KKEARN CCCCCCCC[S@@](=O)C[C@H](O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000105653151 571408051 /nfs/dbraw/zinc/40/80/51/571408051.db2.gz LYNGCUPOWDVCPG-JXNPFXPLSA-N 0 0 512.766 6.911 50 30 KKEARN CCCCCCCC[S@](=O)C[C@@H](O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000105653167 571408131 /nfs/dbraw/zinc/40/81/31/571408131.db2.gz LYNGCUPOWDVCPG-XSJBNIOMSA-N 0 0 512.766 6.911 50 30 KKEARN CCCCCCCC[S@@](=O)C[C@@H](O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000105653162 571408150 /nfs/dbraw/zinc/40/81/50/571408150.db2.gz LYNGCUPOWDVCPG-RIPCNWKXSA-N 0 0 512.766 6.911 50 30 KKEARN Brc1ccccc1/C=N/[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1Br)c1ccccc1 ZINC000105693918 571408432 /nfs/dbraw/zinc/40/84/32/571408432.db2.gz GKQASVQELPPBOH-SOOXXIQNSA-N 0 0 546.306 8.232 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5OC(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877429 571409148 /nfs/dbraw/zinc/40/91/48/571409148.db2.gz SNCPPULGVLFYCZ-OKNBHTAWSA-N 0 0 612.817 10.038 50 30 KKEARN COc1cc(/C=C2\C[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)ccc1OC(F)F ZINC000105877480 571409236 /nfs/dbraw/zinc/40/92/36/571409236.db2.gz CVFOVLXJRYURMA-XUPAHUAYSA-N 0 0 624.853 9.749 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000105959083 571409434 /nfs/dbraw/zinc/40/94/34/571409434.db2.gz VJTFTTZRTJKQSG-FVGZADTASA-N 0 0 568.449 6.569 50 30 KKEARN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCc1ccccc1C#N ZINC000105979547 571409808 /nfs/dbraw/zinc/40/98/08/571409808.db2.gz ATMXSHUNCRBAMD-MXAYSNPKSA-N 0 0 522.985 6.565 50 30 KKEARN COc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)cc(-c4cc(OC)c(OC)c(OC)c4)c3C#N)C2=O)cc1 ZINC000108803437 571426577 /nfs/dbraw/zinc/42/65/77/571426577.db2.gz QAZDEMSUIPONKM-NDEPHWFRSA-N 0 0 581.650 5.746 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](SC(=NC#N)Nc3ccccc3)C1=O)C[C@@H](c1ccccc1)CC2 ZINC000113481346 571439035 /nfs/dbraw/zinc/43/90/35/571439035.db2.gz XRYDBWYWVKGRKL-WMZHIEFXSA-N 0 0 558.685 5.512 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc(-c5ccc(Cl)cc5Cl)ccc4c3N)cc2)cc1 ZINC000113481993 571439164 /nfs/dbraw/zinc/43/91/64/571439164.db2.gz QTYUQMVERSBAMQ-FZSIALSZSA-N 0 0 586.544 9.124 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3n2)cc1 ZINC000113560165 571439981 /nfs/dbraw/zinc/43/99/81/571439981.db2.gz IRBPRKVZESKFAH-OUKQBFOZSA-N 0 0 579.625 7.783 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 ZINC000113560778 571440060 /nfs/dbraw/zinc/44/00/60/571440060.db2.gz WFMABEQZDKQYOY-ISLYRVAYSA-N 0 0 557.700 8.422 50 30 KKEARN Cc1ccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000113561451 571440204 /nfs/dbraw/zinc/44/02/04/571440204.db2.gz FJVVLURFWSAGDW-FMQUCBEESA-N 0 0 621.787 9.884 50 30 KKEARN N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)C=Cc4c(Cl)cccc4Cl)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113562517 571440408 /nfs/dbraw/zinc/44/04/08/571440408.db2.gz QEMASMXQRHXXLC-NFPSEPLVSA-N 0 0 588.476 5.912 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113564619 571440823 /nfs/dbraw/zinc/44/08/23/571440823.db2.gz IMYDBKSKQNYUCH-SDFCAVLBSA-N 0 0 601.753 8.373 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113564618 571440861 /nfs/dbraw/zinc/44/08/61/571440861.db2.gz IMYDBKSKQNYUCH-SQAMQDMYSA-N 0 0 601.753 8.373 50 30 KKEARN N=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000135668281 571448798 /nfs/dbraw/zinc/44/87/98/571448798.db2.gz ZXHMVPMCJMQVOR-UHFFFAOYSA-N 0 0 526.381 7.670 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000136373011 571449369 /nfs/dbraw/zinc/44/93/69/571449369.db2.gz UJARFUKQDZGFDL-WMPRVJDKSA-N 0 0 589.817 9.163 50 30 KKEARN CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C/c2ccc(Cl)cc2)CCCCC1 ZINC000137904625 571450823 /nfs/dbraw/zinc/45/08/23/571450823.db2.gz VACVKJDNXXSACA-GBDQGIKOSA-N 0 0 530.931 8.212 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340169 571457729 /nfs/dbraw/zinc/45/77/29/571457729.db2.gz HUBKJPDTNKYKGO-UHFFFAOYSA-N 0 0 728.656 14.208 50 30 KKEARN F/C(=C1/N=C(c2cccn2C2=N/C(=C(/F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)S2)SC1(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150341797 571458387 /nfs/dbraw/zinc/45/83/87/571458387.db2.gz JBAABBNPNXSVOT-KQQUZDAGSA-N 0 0 705.337 9.146 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)cc(NC(=O)C(c3ccccc3)c3ccccc3)c2)cc1)c1ccccc1 ZINC000150342390 571458609 /nfs/dbraw/zinc/45/86/09/571458609.db2.gz MBRSOBQUDHHCPM-CCFHIKDMSA-N 0 0 745.879 10.376 50 30 biogenic,in-vitro KKEARN O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150342672 571458713 /nfs/dbraw/zinc/45/87/13/571458713.db2.gz VJPLPULMKIMOSI-UHFFFAOYSA-N 0 0 708.127 7.992 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000150342706 571458722 /nfs/dbraw/zinc/45/87/22/571458722.db2.gz MFFVZGUPYIMIPD-GFJKYASSSA-N 0 0 652.500 9.627 50 30 KKEARN FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150344102 571459172 /nfs/dbraw/zinc/45/91/72/571459172.db2.gz WGAHPKOIQCXOMB-UHFFFAOYSA-N 0 0 618.061 6.851 50 30 KKEARN CCCC(CCC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(CCC)CCC ZINC000150344528 571459426 /nfs/dbraw/zinc/45/94/26/571459426.db2.gz RADXRBLSQCPTFG-UHFFFAOYSA-N 0 0 714.522 9.588 50 30 KKEARN Fc1c(F)c(F)c(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F ZINC000150345350 571459798 /nfs/dbraw/zinc/45/97/98/571459798.db2.gz DMZNIFIKQOFWLU-UHFFFAOYSA-N 0 0 662.226 9.442 50 30 KKEARN O=C(Oc1c(Br)cc(Br)cc1Br)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150345454 571459921 /nfs/dbraw/zinc/45/99/21/571459921.db2.gz LNENJJYWXQQXHD-QMMMGPOBSA-N 0 0 642.835 6.915 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000150348879 571461327 /nfs/dbraw/zinc/46/13/27/571461327.db2.gz NPYMNRQRFQWRNY-POTMTVGHSA-N 0 0 667.165 8.248 50 30 KKEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(/N=C/c4ccc(OC(=O)c5ccc(OC)cc5)c([N+](=O)[O-])c4)cc3)cc2[N+](=O)[O-])cc1 ZINC000150349109 571461475 /nfs/dbraw/zinc/46/14/75/571461475.db2.gz WOPOCRZDJHWATG-DITNJDIQSA-N 0 0 674.622 7.460 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N\c3ccc(-c4ccc(/N=C\c5cccc(Oc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])c5)cc4)cc3)c2)c([N+](=O)[O-])c1 ZINC000150350013 571461608 /nfs/dbraw/zinc/46/16/08/571461608.db2.gz OJMWGLAEDGJOMJ-XCKRHRGHSA-N 0 0 724.642 10.072 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3cccc(Cl)c3Cl)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000150349856 571461621 /nfs/dbraw/zinc/46/16/21/571461621.db2.gz QHZWZJDEPFEMOA-LALXJTNGSA-N 0 0 644.023 10.705 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(Sc3ccc(/N=C/c4ccc(OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)cc4)cc3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150349649 571461640 /nfs/dbraw/zinc/46/16/40/571461640.db2.gz NVWYNDBRNZBCAC-WAJJMWJGSA-N 0 0 812.729 9.410 50 30 KKEARN O=C(/C=C/c1ccccc1)c1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5cccc(C(=O)/C=C/c6ccccc6)c5)cc4C3=O)cc2)c1 ZINC000150349857 571461655 /nfs/dbraw/zinc/46/16/55/571461655.db2.gz AWFSIXYOCUWHTR-RPCRKUJJSA-N 0 0 721.769 8.784 50 30 KKEARN CC(C(=O)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)(c1ccccc1)c1ccccc1 ZINC000150350953 571461999 /nfs/dbraw/zinc/46/19/99/571461999.db2.gz ACUGKZAURILPAR-UHFFFAOYSA-N 0 0 651.419 8.690 50 30 KKEARN COc1ccc([C@](Cl)(c2ccccc2)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000150352316 571462394 /nfs/dbraw/zinc/46/23/94/571462394.db2.gz FSYYFUVFEYRUHN-QHCPKHFHSA-N 0 0 754.908 11.168 50 30 KKEARN CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)O/N=C(/C#N)c1ccccc1 ZINC000150353231 571462682 /nfs/dbraw/zinc/46/26/82/571462682.db2.gz NFEFLNJWJYPWIZ-WMILAWAJSA-N 0 0 678.339 8.636 50 30 KKEARN O=C(Nc1ccc(-c2nc3c(cc(Br)c(NC(=O)c4ccc(N=Cc5ccccc5O)cc4)c3Br)[nH]2)cc1)c1cc(Br)c(N=Cc2ccccc2O)c(Br)c1 ZINC000150354907 571463113 /nfs/dbraw/zinc/46/31/13/571463113.db2.gz DTHWOBSFBIKWGY-UNQIJADKSA-N 0 0 986.313 11.697 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)cc2s1)NCCc1ccccc1 ZINC000150361934 571463879 /nfs/dbraw/zinc/46/38/79/571463879.db2.gz AKQMEPLPUXMPDH-DPNNOFEESA-N 0 0 641.825 8.167 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccccc1Cl ZINC000150361679 571463930 /nfs/dbraw/zinc/46/39/30/571463930.db2.gz DPWBLUIEHQSIFN-UHFFFAOYSA-N 0 0 646.949 7.932 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000150364227 571464419 /nfs/dbraw/zinc/46/44/19/571464419.db2.gz DBTRHCZLBQNKOC-NNLKDUFCSA-N 0 0 786.704 7.319 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc3c(c2)OCO3)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000150364593 571464475 /nfs/dbraw/zinc/46/44/75/571464475.db2.gz ZJEATMIYOZOGFA-MAZIBIHTSA-N 0 0 764.872 6.919 50 30 KKEARN O=C(Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 ZINC000150369652 571465582 /nfs/dbraw/zinc/46/55/82/571465582.db2.gz MOOYHIWKALMQHS-UHFFFAOYSA-N 0 0 653.391 8.576 50 30 KKEARN Cc1cc(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)ccc1Cl ZINC000150369814 571465613 /nfs/dbraw/zinc/46/56/13/571465613.db2.gz MKSAKDMTNVEAEE-UHFFFAOYSA-N 0 0 625.765 7.724 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1Cl ZINC000150384840 571468427 /nfs/dbraw/zinc/46/84/27/571468427.db2.gz PERNMKXXDXLODB-HDYLNDSGSA-N 0 0 641.042 6.114 50 30 KKEARN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000150386578 571469433 /nfs/dbraw/zinc/46/94/33/571469433.db2.gz ZWJNCYBVHAWCHZ-LSHDLFTRSA-N 0 0 697.801 7.572 50 30 KKEARN CCN(CC)c1ccc([C@@H]2N(/C(CN3CCCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150387215 571469894 /nfs/dbraw/zinc/46/98/94/571469894.db2.gz OZBISENQNXBYKM-OQDOPQLTSA-N 0 0 651.899 5.428 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@@H](c3ccc([C@@H]4C5C(=O)CCCC5=Nc5nc(SCc6ccccn6)nn54)cc3)C12 ZINC000150388994 571471316 /nfs/dbraw/zinc/47/13/16/571471316.db2.gz FSQVOXRCRWAEJV-MEKGRNQZSA-N 0 0 700.854 6.288 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3cn4nc(-c5ccc(-c6ccc(CCCCCCCC)cc6)cc5)sc4n3)cc2)cc1 ZINC000150390031 571472284 /nfs/dbraw/zinc/47/22/84/571472284.db2.gz KZVMEXLXEYJLRD-UHFFFAOYSA-N 0 0 653.980 13.265 50 30 KKEARN O=C(N1CCN(C(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)CC1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000150391139 571473407 /nfs/dbraw/zinc/47/34/07/571473407.db2.gz GPRBBZUZAZTBCN-HTQZYQBOSA-N 0 0 710.206 5.727 50 30 KKEARN O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)N(C1CCCCC1)C1CCCCC1)C(F)(F)F ZINC000150391283 571473465 /nfs/dbraw/zinc/47/34/65/571473465.db2.gz SQMUKKMIHYZRSE-NDEPHWFRSA-N 0 0 682.684 9.083 50 30 KKEARN COCc1c(Br)c(C)nc(OC[C@@H]2OC(c3cccc(OCc4ccc(Cl)cc4Cl)c3)=NN2C(C)=O)c1C#N ZINC000150400107 571477935 /nfs/dbraw/zinc/47/79/35/571477935.db2.gz MPDTUJKMGDPGIV-DEOSSOPVSA-N 0 0 634.314 6.002 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000150401340 571478266 /nfs/dbraw/zinc/47/82/66/571478266.db2.gz HAMWMRUKAKBIBD-WHLCRQNOSA-N 0 0 646.600 6.141 50 30 KKEARN Brc1cc2c(cc1OCCN1CCOCC1)C(=NNc1ccccc1)c1cc(OCCN3CCOCC3)c(Br)cc1-2 ZINC000150409980 571482453 /nfs/dbraw/zinc/48/24/53/571482453.db2.gz HDQKBPWAODFPAD-UHFFFAOYSA-N 0 0 686.445 5.479 50 30 KKEARN COc1c(I)cc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1I ZINC000150411328 571483788 /nfs/dbraw/zinc/48/37/88/571483788.db2.gz ZUCNWUZFVAHXGX-QFIPXVFZSA-N 0 0 647.254 6.535 50 30 KKEARN O=C(Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)c5ccccc5)c4)c(F)c3F)c(F)c2F)c1)c1ccccc1 ZINC000150414857 571485349 /nfs/dbraw/zinc/48/53/49/571485349.db2.gz VJODOKFFSJNMCP-UHFFFAOYSA-N 0 0 720.572 10.556 50 30 KKEARN COc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c1-c1ccc(OC)c(OC)c1 ZINC000150419080 571486793 /nfs/dbraw/zinc/48/67/93/571486793.db2.gz ZWPRJWKFQQIRIM-UHFFFAOYSA-N 0 0 647.551 6.700 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)Nc4cccc(C(=O)/C=C/c5ccc(C(C)C)cc5)c4)sc3n2)cc1 ZINC000150425772 571490088 /nfs/dbraw/zinc/49/00/88/571490088.db2.gz HRAFQHAZHXYDGR-RGVLZGJSSA-N 0 0 642.224 10.446 50 30 KKEARN C[C@H](Sc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000150426061 571490387 /nfs/dbraw/zinc/49/03/87/571490387.db2.gz NAIBSKDRQMNTJV-PVSQDUJMSA-N 0 0 686.859 8.533 50 30 KKEARN C[C@@H]1C[C@H](C)CN(C(=S)SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC(=S)N4C[C@H](C)C[C@H](C)C4)c(C#N)c3)cc2C#N)C1 ZINC000150427806 571491663 /nfs/dbraw/zinc/49/16/63/571491663.db2.gz QWQOXUKCBCQGKG-OQQNJPJOSA-N 0 0 707.029 6.890 50 30 KKEARN C[C@@H]1C[C@H](C)CN(C(=S)SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC(=S)N4C[C@@H](C)C[C@H](C)C4)c(C#N)c3)cc2C#N)C1 ZINC000150427811 571491667 /nfs/dbraw/zinc/49/16/67/571491667.db2.gz QWQOXUKCBCQGKG-OJJQZRKESA-N 0 0 707.029 6.890 50 30 KKEARN O=C(N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150434258 571494744 /nfs/dbraw/zinc/49/47/44/571494744.db2.gz UVEZIODICLDLQU-MHZLTWQESA-N 0 0 689.613 8.358 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1cccc2ccccc21 ZINC000150435048 571495102 /nfs/dbraw/zinc/49/51/02/571495102.db2.gz FWDQFCWNNDHELX-MXJIGVOESA-N 0 0 634.754 5.972 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435669 571495702 /nfs/dbraw/zinc/49/57/02/571495702.db2.gz GSOBFAFMGBUVGA-QXCFGMLZSA-N 0 0 636.701 7.363 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000150436314 571496175 /nfs/dbraw/zinc/49/61/75/571496175.db2.gz SBSWJWUNUHQIFJ-CXNUKBDRSA-N 0 0 620.492 6.877 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000150436585 571496210 /nfs/dbraw/zinc/49/62/10/571496210.db2.gz ZTUKLNHJEHCEDX-SBVPHTNJSA-N 0 0 645.752 7.267 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450751 571502595 /nfs/dbraw/zinc/50/25/95/571502595.db2.gz WAUYJCKSLLJLNR-NXBJLNSTSA-N 0 0 642.462 5.052 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1 ZINC000150456535 571504712 /nfs/dbraw/zinc/50/47/12/571504712.db2.gz SZEOOXOMYNISTA-QMMFTLRZSA-N 0 0 661.519 10.115 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457064 571504785 /nfs/dbraw/zinc/50/47/85/571504785.db2.gz FZIFKBJLIYHAAG-ZRUWLVFBSA-N 0 0 642.774 7.612 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457053 571504817 /nfs/dbraw/zinc/50/48/17/571504817.db2.gz FZIFKBJLIYHAAG-MDLGLMBTSA-N 0 0 642.774 7.612 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(F)c(F)cc1Cl)c1cc(F)c(F)cc1Cl ZINC000150472548 571510014 /nfs/dbraw/zinc/51/00/14/571510014.db2.gz DIPYBOOTUBHBNW-UHFFFAOYSA-N 0 0 680.385 7.874 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OCC)cc(C(=O)OCC)c3)c2C)nc2sc(-c3ccccc3)cc2c1=O ZINC000150473311 571510374 /nfs/dbraw/zinc/51/03/74/571510374.db2.gz UHNUKKPUACZTRO-UHFFFAOYSA-N 0 0 655.798 7.047 50 30 KKEARN Cc1c(C(=O)C(F)(F)F)c(-c2nn(-c3ccccc3)c(NC(=O)C(F)(F)F)c2C(=O)C(F)(F)F)c(C)n1-c1ccc(Br)cc1 ZINC000150479916 571511891 /nfs/dbraw/zinc/51/18/91/571511891.db2.gz FJXKDSHOHKNMTH-UHFFFAOYSA-N 0 0 695.336 7.700 50 30 KKEARN CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481849 571512759 /nfs/dbraw/zinc/51/27/59/571512759.db2.gz RDXQCQHTUDZAKI-UUALVTFQSA-N 0 0 633.723 6.546 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150481645 571512810 /nfs/dbraw/zinc/51/28/10/571512810.db2.gz GHKLVMIFQUTKOF-CRCYZHLCSA-N 0 0 773.390 6.001 50 30 KKEARN Cc1ccc(-c2oc(N(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000150482666 571513334 /nfs/dbraw/zinc/51/33/34/571513334.db2.gz MBTNUABVNGKLOV-UHFFFAOYSA-N 0 0 812.850 7.965 50 30 KKEARN Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(S[C@@H](C)C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3)o2)cc1 ZINC000150483362 571513957 /nfs/dbraw/zinc/51/39/57/571513957.db2.gz NLGBBZUXAKHYCL-HYWIFXTHSA-N 0 0 700.886 8.842 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150483953 571514625 /nfs/dbraw/zinc/51/46/25/571514625.db2.gz BRRRBTNURPYFBV-UHFFFAOYSA-N 0 0 776.677 13.355 50 30 KKEARN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(F)cc2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484355 571514734 /nfs/dbraw/zinc/51/47/34/571514734.db2.gz UQLQNSUAJGLPTE-LVWMNBHTSA-N 0 0 624.162 9.157 50 30 KKEARN C[C@H](Sc1ccc(NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000150484296 571514781 /nfs/dbraw/zinc/51/47/81/571514781.db2.gz HZKOLTRTZCCFCI-MJENEFTLSA-N 0 0 765.755 9.296 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3cccc4ccccc43)cc(-c3ccc(F)cc3)c12 ZINC000150484896 571515459 /nfs/dbraw/zinc/51/54/59/571515459.db2.gz RAUVCWUFBKQIDE-VHEBQXMUSA-N 0 0 625.750 9.715 50 30 KKEARN C[C@@H](Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2F)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000150484909 571515479 /nfs/dbraw/zinc/51/54/79/571515479.db2.gz IPPJAHFNVWZRMR-LVWMNBHTSA-N 0 0 624.162 9.157 50 30 KKEARN Cc1ccc(Nc2c(Nc3ccc(/N=C/c4ccc5ccccc5c4O)cc3)cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000150489317 571516822 /nfs/dbraw/zinc/51/68/22/571516822.db2.gz BDCATMLINVXGSX-XKEUZUKWSA-N 0 0 720.623 9.564 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1cccc(Br)c1 ZINC000150494839 571517527 /nfs/dbraw/zinc/51/75/27/571517527.db2.gz LMISCJNEHIFLER-YEYVXWEJSA-N 0 0 742.291 8.859 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)c1 ZINC000150498669 571518436 /nfs/dbraw/zinc/51/84/36/571518436.db2.gz GUJMSXZLPYKENS-UHFFFAOYSA-N 0 0 671.115 6.263 50 30 KKEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150501410 571518854 /nfs/dbraw/zinc/51/88/54/571518854.db2.gz GHKLVMIFQUTKOF-SUAMDDGLSA-N 0 0 773.390 6.001 50 30 KKEARN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@]23C(=O)N(c2ccc(C)cc2)C(c2ccccc2)=C3C(=O)c2ccccc2)cc1 ZINC000150533397 571520470 /nfs/dbraw/zinc/52/04/70/571520470.db2.gz WFFKKKRGNRXYGA-GWHBCOKCSA-N 0 0 650.778 8.716 50 30 KKEARN O=C(/C=C\c1ccccc1)Oc1ccc(C2(c3ccc(OC(=O)/C=C\c4ccccc4)c(Br)c3)OS(=O)(=O)c3ccccc32)cc1Br ZINC000150552513 571520764 /nfs/dbraw/zinc/52/07/64/571520764.db2.gz IVOJBNNEXDAPMM-BMJUYKDLSA-N 0 0 772.467 8.460 50 30 KKEARN CCCCCCCCCCCCCCCC[S@](=O)Oc1cccc(S(=O)(=O)N/N=c2/sc3ccc(S(=O)(=O)C(F)F)cc3n2C)c1 ZINC000150575192 571521487 /nfs/dbraw/zinc/52/14/87/571521487.db2.gz WZOAMBYRPWKELU-GXXHWDCZSA-N 0 0 721.980 7.554 50 30 KKEARN CCCCCCCCCC/C=C\CCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]3)c2)C1=O ZINC000150608111 571522856 /nfs/dbraw/zinc/52/28/56/571522856.db2.gz PZHJQLHKUROTRN-IPYQYMIDSA-N 0 0 708.558 10.989 50 30 KKEARN CCCCCCCCCCCCCCOc1ccccc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1[O-] ZINC000150615368 571523201 /nfs/dbraw/zinc/52/32/01/571523201.db2.gz RQJVRTHWJHBYOM-UHFFFAOYSA-N 0 0 651.877 10.005 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000150643799 571524854 /nfs/dbraw/zinc/52/48/54/571524854.db2.gz XJSGZAAWTKGYRA-HSZRJFAPSA-N 0 0 662.937 8.871 50 30 KKEARN O=C1/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C(=O)C2(CCCCC2)C(=O)/C=C\C(=O)C12CCCCC2 ZINC000150656914 571527045 /nfs/dbraw/zinc/52/70/45/571527045.db2.gz YAYBQUUUNGVSFS-WLYXFYDPSA-N 0 0 656.816 6.580 50 30 KKEARN CCCCCCCCCCCCOc1cc2c(=O)ccc(=O)c2c2c1ccc1c(OCCCCCCCCCCCC)cc3c(=O)ccc(=O)c3c12 ZINC000150662167 571527684 /nfs/dbraw/zinc/52/76/84/571527684.db2.gz YYSQBGJKQOPJAS-UHFFFAOYSA-N 0 0 706.964 11.215 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000150663299 571527999 /nfs/dbraw/zinc/52/79/99/571527999.db2.gz WCWSJFFITDLELK-UKDVSSAZSA-N 0 0 628.644 6.433 50 30 KKEARN COc1ccc(/N=C2/S/C(=C/c3cc(Cl)c(OCc4ccc(I)cc4)c(Cl)c3)C(=O)N2C)cc1 ZINC000150663632 571528184 /nfs/dbraw/zinc/52/81/84/571528184.db2.gz JRICUCAGRKKVOL-PIBLFTNCSA-N 0 0 625.315 7.419 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCC(=O)O[C@@H]1CCCC[C@H]1[S@@](=O)Cc1ccccc1 ZINC000169618334 571554026 /nfs/dbraw/zinc/55/40/26/571554026.db2.gz LWFZMPQZNNSCAO-VHZTZSKFSA-N 0 0 586.804 7.634 50 30 KKEARN OC[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169621183 571554457 /nfs/dbraw/zinc/55/44/57/571554457.db2.gz XWMIXYNBVNTPFV-YGIVHSIPSA-N 0 0 814.126 8.526 50 30 KKEARN C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678993 571556109 /nfs/dbraw/zinc/55/61/09/571556109.db2.gz LCFMFXYXKXRSNY-IADCTJSHSA-N 0 0 589.737 5.063 50 30 KKEARN Cc1cccn2c(=O)c(C=NNc3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3Cl)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000170621874 571562860 /nfs/dbraw/zinc/56/28/60/571562860.db2.gz DYAGDVOXGKENES-MHDJOFBISA-N 0 0 686.122 6.870 50 30 KKEARN O=P(OC[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)F)(Oc1ccccc1)Oc1ccccc1 ZINC000195528732 571563273 /nfs/dbraw/zinc/56/32/73/571563273.db2.gz JSLFCOOWXDRRSP-UHFFFAOYSA-N 0 0 582.472 9.114 50 30 KKEARN O=C(c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1)[C@@H]1O[C@H]1c1ccc(Br)cc1 ZINC000198685240 571568006 /nfs/dbraw/zinc/56/80/06/571568006.db2.gz RHWSDQDZWKQZSM-GOTSBHOMSA-N 0 0 525.196 6.043 50 30 KKEARN C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)C(F)(F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000198696482 571568364 /nfs/dbraw/zinc/56/83/64/571568364.db2.gz YNFCHMFXOKWLBV-UHFFFAOYSA-N 0 0 755.505 7.801 50 30 KKEARN FC(F)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)[C@]1(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]2(F)C1(F)F ZINC000212554040 571577092 /nfs/dbraw/zinc/57/70/92/571577092.db2.gz DFGLLDMCDAKADU-RBVZJJKUSA-N 0 0 774.127 9.119 50 30 KKEARN O=C(c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2[C@H]2NN3C(c4cccc(C(F)(F)F)c4)=Cc4ccccc4[C@@H]3NN12 ZINC000215692574 571584799 /nfs/dbraw/zinc/58/47/99/571584799.db2.gz USUULTHGZLQPGX-JSOSNVBQSA-N 0 0 604.554 7.798 50 30 KKEARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(/N=C/c4cccnc4Cl)cc3)ccc21 ZINC000215718366 571585200 /nfs/dbraw/zinc/58/52/00/571585200.db2.gz HTTKNFFWTJHNBE-OISBRLEKSA-N 0 0 513.066 7.733 50 30 KKEARN COc1ccc(/C=C2/Oc3c(ccc4c3[C@@H](c3cc(Br)cc5c3OCOC5)CC(=O)O4)C2=O)cc1 ZINC000217612678 571601726 /nfs/dbraw/zinc/60/17/26/571601726.db2.gz ASDJEMNJUNRMLE-ISHMLTSJSA-N 0 0 535.346 5.381 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)cc2)C4=O)cc1 ZINC000217596801 571601814 /nfs/dbraw/zinc/60/18/14/571601814.db2.gz LAPCPOIGNFZSLB-RGUQBTLKSA-N 0 0 526.629 7.492 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OCc5cccnc5)c3)CC(=O)O4)C2=O)c1OC ZINC000218106152 571603368 /nfs/dbraw/zinc/60/33/68/571603368.db2.gz CLDORPPYBWIPKV-DEHNYIOBSA-N 0 0 535.552 5.735 50 30 biogenic KKEARN C[C@H]1CC(=O)C=C2CC[C@@H]3[C@H]4CC/C(=N\N=C5/CC[C@@H]6[C@@H]7CCC8=CC(=O)C[C@H](C)[C@@]8(C)[C@@H]7CC[C@]56C)[C@@]4(C)CC[C@H]3[C@]21C ZINC000261490470 572109072 /nfs/dbraw/zinc/10/90/72/572109072.db2.gz SUDAZYBPONYEQT-XOCKKJIWSA-N 0 0 596.900 9.339 50 30 KKEARN COc1cc2c(cc1C(=O)/C=C/c1ccccc1)n(-c1ccc(C)cc1)c(C)c2C(=O)/C=C/c1ccccc1 ZINC000261490792 572109777 /nfs/dbraw/zinc/10/97/77/572109777.db2.gz DMWINHVQUDKJQL-NWILIBCHSA-N 0 0 511.621 8.048 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1S(=O)(=O)N1CCCCC1 ZINC000261491570 572110372 /nfs/dbraw/zinc/11/03/72/572110372.db2.gz ZSOOCGKFKKZYTF-UHFFFAOYSA-N 0 0 527.683 5.270 50 30 KKEARN CC(C)(C)[N+]([O-])=C[C@](/C=N/Cc1ccccc1)([C@](C=[N+]([O-])C(C)(C)C)(/C=N/Cc1ccccc1)S(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C ZINC000261493048 572111298 /nfs/dbraw/zinc/11/12/98/572111298.db2.gz YZDIWCNDRRXGJB-UMEBDDRFSA-N 0 0 702.984 6.192 50 30 KKEARN COC(=O)C[C@]1(C)CCC(C)(C)C[C@@H]1[C@]1(C)C(=O)C=C2[C@](C)(CC[C@H]3C(C)(C)[C@H](O)CC[C@]23C)C1=O ZINC000261493219 572112012 /nfs/dbraw/zinc/11/20/12/572112012.db2.gz GESIXGHHOOKLGB-LUAOGVPESA-N 0 0 500.720 6.070 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2cccc(OCc4ccccn4)c2)CC(=O)O3)C1=O ZINC000263585044 572116439 /nfs/dbraw/zinc/11/64/39/572116439.db2.gz DLXAOWWJGRCOBY-YMCFUUGVSA-N 0 0 505.526 5.726 50 30 KKEARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc(OC)c(OC)c3OC)C5=O)c(=O)[nH]c2c1 ZINC000263585417 572118042 /nfs/dbraw/zinc/11/80/42/572118042.db2.gz IIEZQXFIKAONHK-BTMMFNIDSA-N 0 0 555.539 5.032 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2OCc2ccccn2)CC(=O)O3)C1=O ZINC000263585468 572118652 /nfs/dbraw/zinc/11/86/52/572118652.db2.gz JBGWXRVTORBELR-MAAPNWIXSA-N 0 0 505.526 5.726 50 30 KKEARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3cc(OC)c(OC)cc3OC)C5=O)cc2c1 ZINC000263585536 572118927 /nfs/dbraw/zinc/11/89/27/572118927.db2.gz JTXJSJBIJCSKDA-DWQOVMFQSA-N 0 0 555.539 5.032 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(C(=O)OC)cc2)C4=O)cc1 ZINC000263585754 572119806 /nfs/dbraw/zinc/11/98/06/572119806.db2.gz MCADMAFOOQYAMO-RGUQBTLKSA-N 0 0 554.639 7.270 50 30 KKEARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3c(F)cccc3Cl)C5=O)c(=O)[nH]c2c1 ZINC000263585877 572120597 /nfs/dbraw/zinc/12/05/97/572120597.db2.gz NNBKHXOLFJLVRV-FHLSJSRISA-N 0 0 517.896 5.799 50 30 KKEARN CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)cc1 ZINC000263586046 572121705 /nfs/dbraw/zinc/12/17/05/572121705.db2.gz PEXWYUVQCVRWNA-GDLZYMKVSA-N 0 0 607.744 6.355 50 30 KKEARN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3ccc(OC)c(OC)c3OC)C5=O)cc2c1 ZINC000263586244 572122408 /nfs/dbraw/zinc/12/24/08/572122408.db2.gz RQCFYJFELVORJJ-RIMPEIONSA-N 0 0 555.539 5.032 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2OC)C4=O)cc1 ZINC000263586919 572125958 /nfs/dbraw/zinc/12/59/58/572125958.db2.gz ZQDPWUVKHBNHJO-CTTMAIQESA-N 0 0 526.629 7.492 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)C1 ZINC000226074233 572127411 /nfs/dbraw/zinc/12/74/11/572127411.db2.gz YWLABHUOLCHSHL-SBVPHTNJSA-N 0 0 590.771 8.963 50 30 KKEARN O=C1c2cccc(F)c2C(=O)N2C1=CC=C[C@H]2N1CC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)COC1=O ZINC000263639939 572132980 /nfs/dbraw/zinc/13/29/80/572132980.db2.gz PEFZEWTYTFLDAP-FQEVSTJZSA-N 0 0 576.934 5.050 50 30 KKEARN CCCCCCC[C@H](CCCCCCCc1cccc(OC[C@@H]2CO2)c1)c1ccc(OC[C@H]2CO2)cc1 ZINC000299803829 572138011 /nfs/dbraw/zinc/13/80/11/572138011.db2.gz GAHSOUKDFQCWJX-ZSUPJWAMSA-N 0 0 508.743 8.269 50 30 KKEARN CCCCCCCCOc1ccc(C2=N[C@@H]3SC(c4ccc(OCCCCCCCC)cc4)=N[C@H]3S2)cc1 ZINC000226757314 572140539 /nfs/dbraw/zinc/14/05/39/572140539.db2.gz LACZLYGYNNLLIV-MEKGRNQZSA-N 0 0 552.850 9.504 50 30 KKEARN CCc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 ZINC000226758540 572140863 /nfs/dbraw/zinc/14/08/63/572140863.db2.gz RIOWKNFGGUEULP-FSRJSHLRSA-N 0 0 537.542 5.423 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226917598 572145112 /nfs/dbraw/zinc/14/51/12/572145112.db2.gz CEDHVXMBSQRJTQ-FRXPANAUSA-N 0 0 512.650 6.785 50 30 KKEARN CC(=O)C1C=CC(=Nc2cc(Sc3ccc(Cl)cc3)c(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C=C1 ZINC000334157998 572152474 /nfs/dbraw/zinc/15/24/74/572152474.db2.gz HIKACXFNYYAZEF-UHFFFAOYSA-N 0 0 530.933 6.723 50 30 KKEARN CCCCCCCn1c[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000334157032 572152618 /nfs/dbraw/zinc/15/26/18/572152618.db2.gz MKPBUMFZQHHHRT-UHFFFAOYSA-O 0 0 579.544 7.226 50 30 KKEARN CCCCCCCCN=C1N=C2C=CC(C)=CN2C(=O)C1=CC1SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000334158196 572153034 /nfs/dbraw/zinc/15/30/34/572153034.db2.gz XPOQJNAFWCRFFZ-SHXWHURRSA-N 0 0 548.756 5.201 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000334161128 572154351 /nfs/dbraw/zinc/15/43/51/572154351.db2.gz UJLVGILLKJYVEQ-OKCVXOCRSA-N 0 0 538.543 6.729 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccc(Cl)c(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)c1 ZINC000229633451 572158243 /nfs/dbraw/zinc/15/82/43/572158243.db2.gz FQVKUEBUIQEIRS-NWDGNEFISA-N 0 0 554.046 5.228 50 30 KKEARN Cc1nn(CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)c(=O)c(C#N)c1C ZINC000229685324 572159485 /nfs/dbraw/zinc/15/94/85/572159485.db2.gz OTCXZUNHVSXLEN-WKEAMTMUSA-N 0 0 546.458 5.862 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000229844893 572160950 /nfs/dbraw/zinc/16/09/50/572160950.db2.gz OZCQRHAJPIKACS-XDKVJHQISA-N 0 0 526.755 7.188 50 30 biogenic KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000229971265 572175573 /nfs/dbraw/zinc/17/55/73/572175573.db2.gz ZACVYXWOPHVPDR-DCEDVJGZSA-N 0 0 558.458 5.716 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000230069252 572182330 /nfs/dbraw/zinc/18/23/30/572182330.db2.gz IBLOBTNDDZOBNZ-AJCCEMSJSA-N 0 0 585.616 6.104 50 30 KKEARN N#C[C@@]12CN(Cc3ccccc3)C[C@@](C#N)(C3=NCN(Cc4ccccc4)CN3C1=S)[C@H]2c1ccccc1Cl ZINC000230076173 572182639 /nfs/dbraw/zinc/18/26/39/572182639.db2.gz ZCHITXVMTPGRNU-UPHHSBJESA-N 0 0 551.119 5.432 50 30 KKEARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21 ZINC000230144238 572184543 /nfs/dbraw/zinc/18/45/43/572184543.db2.gz MQAFQLQGIRXNRR-BGOLNKOXSA-N 0 0 502.662 7.351 50 30 KKEARN C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)C[C@H](c5ccc(F)cc5)CC4=Nc4nc5ccccc5n43)cc21 ZINC000230144291 572184613 /nfs/dbraw/zinc/18/46/13/572184613.db2.gz WDLBUGQLPJCGDD-OXNMKTKCSA-N 0 0 520.652 7.313 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1 ZINC000231434558 572187488 /nfs/dbraw/zinc/18/74/88/572187488.db2.gz IQDYQVRNAJYZQX-DMKAJISASA-N 0 0 516.689 7.482 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccc(F)cc1 ZINC000239173688 572191408 /nfs/dbraw/zinc/19/14/08/572191408.db2.gz OLPLOTJNYBQZAK-UUWRZZSWSA-N 0 0 622.718 6.103 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000239433615 572195904 /nfs/dbraw/zinc/19/59/04/572195904.db2.gz YEBULHLZEGWWME-FEPJPAMPSA-N 0 0 584.507 6.178 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc3ccccc3c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245228683 572205448 /nfs/dbraw/zinc/20/54/48/572205448.db2.gz CEZWFUSDFUFGIB-FYXBOCDISA-N 0 0 753.509 10.948 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2cccc(OC)c2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000245228784 572205749 /nfs/dbraw/zinc/20/57/49/572205749.db2.gz FNECHBRPZNHWQK-SKYMCVQSSA-N 0 0 589.688 6.435 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)C[C@](O)(c2cccc3ccccc32)[C@H](C(=O)c2cccc3ccccc32)[C@H]1c1ccc(C)cc1 ZINC000245228836 572205760 /nfs/dbraw/zinc/20/57/60/572205760.db2.gz GRTPIHHHRMATFQ-DMKGYTPYSA-N 0 0 657.810 9.341 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2cccc(Br)c2)C[C@](O)(c2ccc3ccccc3c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1cccc(Br)c1 ZINC000245228989 572206081 /nfs/dbraw/zinc/20/60/81/572206081.db2.gz KSKQJEYBQNXDSJ-FZHQEFSESA-N 0 0 773.521 9.859 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccc3ccccc3c2)[C@@](O)(c2ccc3ccccc3c2)C[C@H]1c1cccc(Br)c1 ZINC000245228991 572206084 /nfs/dbraw/zinc/20/60/84/572206084.db2.gz KSKQJEYBQNXDSJ-MNOOPVFESA-N 0 0 773.521 9.859 50 30 KKEARN N#C[C@@H]1[C@H](c2ccccc2)[C@@](C#N)(C(=O)c2ccccc2)[C@H]2C=Cc3cc(I)ccc3N21 ZINC000245238616 572212340 /nfs/dbraw/zinc/21/23/40/572212340.db2.gz WMKOBBDOOLIQTJ-QUUPDEESSA-N 0 0 527.365 5.575 50 30 KKEARN COc1cc([C@@H]2[C@@H]3C(=O)N(C4=C(C(C)=O)[C@@H]5CC[C@H](C(C)(C)C)C[C@H]5S4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000245246842 572219897 /nfs/dbraw/zinc/21/98/97/572219897.db2.gz PPZVANFLPNETLR-MVODDMDPSA-N 0 0 635.739 5.837 50 30 KKEARN CC(=O)C1=C(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]12 ZINC000245247561 572220728 /nfs/dbraw/zinc/22/07/28/572220728.db2.gz WBJBIUBQWVNGAH-TZMHWPCISA-N 0 0 644.577 7.127 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000245310707 572228699 /nfs/dbraw/zinc/22/86/99/572228699.db2.gz KCMGKKHKRKXFOT-FFMUDUJVSA-N 0 0 534.619 5.815 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2c1ccccc1 ZINC000245324846 572230786 /nfs/dbraw/zinc/23/07/86/572230786.db2.gz AJNLEPGHDIMHDI-XCSHZTEHSA-N 0 0 521.660 8.092 50 30 KKEARN N#CC1(C#N)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000247638838 572243207 /nfs/dbraw/zinc/24/32/07/572243207.db2.gz GBDHPYDFFZZLEP-MVWQYYOUSA-N 0 0 539.035 6.561 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000247820265 572245650 /nfs/dbraw/zinc/24/56/50/572245650.db2.gz HWFMFJUGIBSUDH-IEVQEWPMSA-N 0 0 603.469 5.409 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000247820994 572245668 /nfs/dbraw/zinc/24/56/68/572245668.db2.gz HWFMFJUGIBSUDH-WIXZECKYSA-N 0 0 603.469 5.409 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC[C@@H]2[C@H]3C=C[C@H]4[C@H](CCOS(=O)(=O)c5ccc(C)cc5)[C@H]5C=C[C@@H]2[C@@H]5[C@H]34)cc1 ZINC000248019343 572252286 /nfs/dbraw/zinc/25/22/86/572252286.db2.gz LVQGKIBIYWIVRS-JEMBRTEDSA-N 0 0 554.730 5.291 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000248063171 572252885 /nfs/dbraw/zinc/25/28/85/572252885.db2.gz QKQNOFCJKOGRRS-ZRDZJBIISA-N 0 0 600.513 5.847 50 30 KKEARN CC(C)(C)[C@H]1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000252337707 572260061 /nfs/dbraw/zinc/26/00/61/572260061.db2.gz QVLJXPGJHBFUJB-ZOXKOODZSA-N 0 0 542.719 9.337 50 30 KKEARN Cc1ccc(NC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]54C)[C@]3(C)C2)cc1 ZINC000252346855 572260093 /nfs/dbraw/zinc/26/00/93/572260093.db2.gz IOQDUGCPGORFQZ-VZLDXJLSSA-N 0 0 573.862 8.665 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5c[nH]c6ccccc56)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252347102 572260221 /nfs/dbraw/zinc/26/02/21/572260221.db2.gz VPZQQMZIGOADDZ-HTCFRLOMSA-N 0 0 527.709 5.526 50 30 KKEARN O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccccc1Cl ZINC000252427620 572260388 /nfs/dbraw/zinc/26/03/88/572260388.db2.gz ABRDQBARZHHBCI-UHFFFAOYSA-N 0 0 519.826 7.402 50 30 KKEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)N6CCCCCC6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000252428102 572260483 /nfs/dbraw/zinc/26/04/83/572260483.db2.gz PWBAWFYUOJVDSJ-SIVZZQMXSA-N 0 0 593.893 8.301 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1cccc(C)c1C ZINC000252430739 572260643 /nfs/dbraw/zinc/26/06/43/572260643.db2.gz HKRBWQFLFNXGLI-QAAXWWCYSA-N 0 0 536.716 7.928 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@H]23)C1O ZINC000252441274 572260906 /nfs/dbraw/zinc/26/09/06/572260906.db2.gz MTTQTMDNVSINLG-WKAQUBQDSA-N 0 0 612.436 5.044 50 30 KKEARN CCCCCCCCNC(=O)[C@@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000252549080 572263185 /nfs/dbraw/zinc/26/31/85/572263185.db2.gz QSRQXCRHDWNLLQ-NLFFAJNJSA-N 0 0 567.727 5.140 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(N3CCOCC3)n2)cc1Cl ZINC000252588374 572266366 /nfs/dbraw/zinc/26/63/66/572266366.db2.gz ABMGHUREUSIAGS-UHFFFAOYSA-N 0 0 770.595 5.537 50 30 KKEARN Fc1c(F)c(F)c(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)c(F)c1F ZINC000252588314 572266417 /nfs/dbraw/zinc/26/64/17/572266417.db2.gz AADWRCAALNBYPY-UHFFFAOYSA-N 0 0 519.271 6.715 50 30 KKEARN NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=NNc1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000252589344 572266441 /nfs/dbraw/zinc/26/64/41/572266441.db2.gz AJEGKXQMMKUWEL-UHFFFAOYSA-N 0 0 536.206 5.639 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000252589151 572266486 /nfs/dbraw/zinc/26/64/86/572266486.db2.gz AHLWMSDPRIBPEF-TYBCPOKZSA-N 0 0 558.704 5.445 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc54)c3C)SC2=Nc2ccccc2)cc1 ZINC000252591400 572266638 /nfs/dbraw/zinc/26/66/38/572266638.db2.gz BBDDWXUXOFKQKW-MDXKUQDESA-N 0 0 543.692 8.060 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(N=Cc4ccc(Br)cc4)cc3s2)cc1OC ZINC000252591374 572266673 /nfs/dbraw/zinc/26/66/73/572266673.db2.gz BARWHGVLOCCSBP-UHFFFAOYSA-N 0 0 570.534 6.278 50 30 KKEARN CCN1C(=O)/C(=C/C=C2\N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252593419 572266800 /nfs/dbraw/zinc/26/68/00/572266800.db2.gz BJTAOLKREWHHNU-LYCKCXRESA-N 0 0 585.773 9.314 50 30 KKEARN CCc1ccc(N=C2S/C(=C\c3ccc(OC)c(OC)c3OC)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252592788 572266802 /nfs/dbraw/zinc/26/68/02/572266802.db2.gz BHJMXGAOGOPQQI-MVXONESASA-N 0 0 502.636 6.646 50 30 KKEARN CCOC(=O)COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000252598760 572267236 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CC(=Nn1c(-c2ccc(Br)s2)csc1=NC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000886016154 1071315812 /nfs/dbraw/zinc/31/58/12/1071315812.db2.gz GABMWCIRGDFTJY-UHFFFAOYSA-N 0 0 529.356 7.853 50 30 KKEARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C2CCCCCC2)c(C)c1 ZINC000002633082 1071316714 /nfs/dbraw/zinc/31/67/14/1071316714.db2.gz NOIVPNCEZBUCKH-TURZUDJPSA-N 0 0 508.728 6.206 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CN(C)C/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2=O)o1 ZINC000003164521 1071317198 /nfs/dbraw/zinc/31/71/98/1071317198.db2.gz RAVIUSBAZSUETA-IFEPHKIBSA-N 0 0 581.676 7.176 50 30 KKEARN O=C1c2ccccc2C(=CNc2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)C(=O)N1c1ccccc1C(F)(F)F ZINC000003180257 1071317266 /nfs/dbraw/zinc/31/72/66/1071317266.db2.gz GJQGQUPCOVPCDP-QGOAFFKASA-N 0 0 590.426 7.833 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1 ZINC000003241569 1071318383 /nfs/dbraw/zinc/31/83/83/1071318383.db2.gz BFCYFXCOMONLGX-JVWAILMASA-N 0 0 534.512 7.819 50 30 KKEARN 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/nfs/dbraw/zinc/83/27/76/1072832776.db2.gz VFOFGHHOROTIDC-LDYMZIIASA-N 0 0 639.180 7.517 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097970941 1072836804 /nfs/dbraw/zinc/83/68/04/1072836804.db2.gz LQJSBKUIDXIFQZ-SSEXGKCCSA-N 0 0 627.620 9.417 50 30 KKEARN O=C1/C(=C\c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC/C1=C/c1ccc(N2NNC=C2c2ccc(Cl)cc2)cc1 ZINC000097976793 1072836872 /nfs/dbraw/zinc/83/68/72/1072836872.db2.gz MIEZCHYZPDTRMV-RSSRHXQMSA-N 0 0 617.540 7.899 50 30 KKEARN COc1cc(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000097979197 1072837305 /nfs/dbraw/zinc/83/73/05/1072837305.db2.gz GTCGVSHRKJRCGA-YUMHPJSZSA-N 0 0 593.474 5.513 50 30 KKEARN Cc1nn(CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)c(=O)c(C#N)c1C ZINC000097981065 1072838941 /nfs/dbraw/zinc/83/89/41/1072838941.db2.gz OTCXZUNHVSXLEN-TVCBPMHVSA-N 0 0 546.458 5.862 50 30 KKEARN O=[N+]([O-])c1ccc(/C=C2\CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254301284 1072845200 /nfs/dbraw/zinc/84/52/00/1072845200.db2.gz CAXNUAHVFOHLJR-JSNZJZQZSA-N 0 0 579.701 5.879 50 30 KKEARN FC(F)(F)c1ccccc1NC(=S)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000254301893 1072845773 /nfs/dbraw/zinc/84/57/73/1072845773.db2.gz LDQWOZQCOYKJGL-UHFFFAOYSA-N 0 0 505.525 6.625 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cc(N=Cc3ccc(OCc4ccccc4)cc3)ccc2N2CCOCC2)cc1 ZINC000254343752 1072847930 /nfs/dbraw/zinc/84/79/30/1072847930.db2.gz XRSPNSAIOZXSLG-UHFFFAOYSA-N 0 0 557.672 5.662 50 30 KKEARN CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=Nn3cnc4scc(-c5ccccc5)c4c3=O)ccc21 ZINC000254350413 1072848752 /nfs/dbraw/zinc/84/87/52/1072848752.db2.gz QSUZKYSCWYEDCJ-UHFFFAOYSA-N 0 0 590.712 7.988 50 30 KKEARN C=C(C)CN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(OCc2ccc(C(=O)OC)cc2)cc1 ZINC000254371886 1072849234 /nfs/dbraw/zinc/84/92/34/1072849234.db2.gz HFPTTWAWWXUIJI-UHFFFAOYSA-N 0 0 573.718 7.608 50 30 KKEARN Cc1c(N=Cc2c(Nc3ccc(SC(F)F)cc3)nc3c(C)cccn3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000254376347 1072849505 /nfs/dbraw/zinc/84/95/05/1072849505.db2.gz SVSITXAIZPMJDS-UHFFFAOYSA-N 0 0 546.603 5.610 50 30 KKEARN CCOc1ccc(NC(=S)NN=Cc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1 ZINC000254380646 1072850031 /nfs/dbraw/zinc/85/00/31/1072850031.db2.gz HOEWTLYAFDFATN-UHFFFAOYSA-N 0 0 520.655 5.357 50 30 KKEARN COc1ccc(C=Nn2c(-c3ccccc3)csc2=Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OCc1ccccc1 ZINC000254393134 1072851832 /nfs/dbraw/zinc/85/18/32/1072851832.db2.gz FCUFXKRWJZQNBE-UHFFFAOYSA-N 0 0 598.750 6.169 50 30 KKEARN C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C=NN(Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000254440701 1072855205 /nfs/dbraw/zinc/85/52/05/1072855205.db2.gz GOWXTGJUAUDGLS-PIYFIQLCSA-N 0 0 688.828 8.925 50 30 KKEARN CCOc1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=Nc2ccc(F)cc2)c(O)c1 ZINC000254459180 1072856510 /nfs/dbraw/zinc/85/65/10/1072856510.db2.gz YZRKWKYUNFZAAD-UHFFFAOYSA-N 0 0 501.505 6.593 50 30 KKEARN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254480509 1072856831 /nfs/dbraw/zinc/85/68/31/1072856831.db2.gz UWSDGCPSAUFCJK-UHFFFAOYSA-N 0 0 573.679 5.553 50 30 KKEARN Cc1c(N=Cc2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000254488174 1072858190 /nfs/dbraw/zinc/85/81/90/1072858190.db2.gz GWZJRNOXFPRWJB-UHFFFAOYSA-N 0 0 506.518 5.516 50 30 KKEARN CCN(CC)c1ccc(C=Nn2c(-c3ccc([N+](=O)[O-])cc3)csc2=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000254517954 1072861557 /nfs/dbraw/zinc/86/15/57/1072861557.db2.gz HWFGULVPVPYQOY-UHFFFAOYSA-N 0 0 581.702 5.883 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccccc2)c1[C@H](c1c(C)nn(-c2ccccc2)c1N[C@@H](O)c1ccccc1)c1ccccc1 ZINC000254516509 1072861623 /nfs/dbraw/zinc/86/16/23/1072861623.db2.gz GKFYHMLLUOZENR-UMBAWLCISA-N 0 0 628.780 8.709 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N=NCc1ccc(OC(F)F)cc1OC(F)F ZINC000254589894 1072865281 /nfs/dbraw/zinc/86/52/81/1072865281.db2.gz LWGOCNIJVCTBDI-UHFFFAOYSA-N 0 0 528.440 5.044 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 ZINC000254627250 1072868246 /nfs/dbraw/zinc/86/82/46/1072868246.db2.gz QWWJYVUCWPFXCL-UHFFFAOYSA-N 0 0 509.632 5.098 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccccc3C(F)(F)F)=C2N2CCOCC2)cc1 ZINC000254625739 1072868329 /nfs/dbraw/zinc/86/83/29/1072868329.db2.gz XFVKFAAWZADPNI-BBXVIOFPSA-N 0 0 510.604 6.420 50 30 KKEARN COc1ccc(-c2oc(N=Cc3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000254630054 1072868917 /nfs/dbraw/zinc/86/89/17/1072868917.db2.gz GJACWSSHPBPULY-UHFFFAOYSA-N 0 0 583.619 8.184 50 30 KKEARN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1CN=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000254699839 1072870520 /nfs/dbraw/zinc/87/05/20/1072870520.db2.gz MZQAAWBJZRVRKC-UHFFFAOYSA-N 0 0 606.620 5.801 50 30 KKEARN C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000254745755 1072875765 /nfs/dbraw/zinc/87/57/65/1072875765.db2.gz NDMCBAFPWDUQHV-UHFFFAOYSA-N 0 0 585.636 6.411 50 30 KKEARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)cc1 ZINC000254770358 1072878275 /nfs/dbraw/zinc/87/82/75/1072878275.db2.gz AQKXPBBWOCEPHA-UHFFFAOYSA-N 0 0 608.461 5.159 50 30 KKEARN Cc1ccc(C(=O)NCc2nsc(=NC(=Nc3ccccc3)c3ccccc3)n2Cc2ccccc2)cc1 ZINC000254813209 1072880456 /nfs/dbraw/zinc/88/04/56/1072880456.db2.gz GRNQYVILPFPSIY-UHFFFAOYSA-N 0 0 517.658 5.911 50 30 KKEARN Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccc3c(c2)NC(=O)CO3)csc1=Nc1ccc(F)cc1F ZINC000254818565 1072881364 /nfs/dbraw/zinc/88/13/64/1072881364.db2.gz HOBYSZGSUZJWEB-UHFFFAOYSA-N 0 0 515.545 5.730 50 30 KKEARN Cc1cc(C)c(N=C(c2ccccc2)n2c(=S)nc(-c3ccccc3)n(-c3c(C)cc(C)cc3C)c2=S)c(C)c1 ZINC000254835571 1072883286 /nfs/dbraw/zinc/88/32/86/1072883286.db2.gz FKVWATDORRRCOP-UHFFFAOYSA-N 0 0 560.792 9.277 50 30 KKEARN O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1cc2c(ccc3ccccc32)oc1=O ZINC000254872365 1072887401 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COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000000649254 193866668 /nfs/dbraw/zinc/86/66/68/193866668.db2.gz MFSXIDMJISWXGE-QNLPTKCRSA-N 0 0 569.654 5.566 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649722 193867544 /nfs/dbraw/zinc/86/75/44/193867544.db2.gz YRBVPSYWFFDXNB-NRUKRWIHSA-N 0 0 569.654 5.566 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000000649725 193867567 /nfs/dbraw/zinc/86/75/67/193867567.db2.gz YRBVPSYWFFDXNB-BNHRFMORSA-N 0 0 569.654 5.566 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000000650701 193868506 /nfs/dbraw/zinc/86/85/06/193868506.db2.gz SGAFLEFTBYITOE-DEOSSOPVSA-N 0 0 539.426 5.429 50 30 KKEARN O=S(=O)(N/C(=N/c1ccccc1I)c1ccccc1)c1ccc(Br)cc1 ZINC000006235116 193873626 /nfs/dbraw/zinc/87/36/26/193873626.db2.gz KVFQXYIUUALHNR-UHFFFAOYSA-N 0 0 541.208 5.111 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000006245743 193876686 /nfs/dbraw/zinc/87/66/86/193876686.db2.gz MNUBSTGJRQTCCA-UHFFFAOYSA-N 0 0 541.701 8.517 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770189 193884080 /nfs/dbraw/zinc/88/40/80/193884080.db2.gz AUUIYBYETNFGIJ-QABMSTFYSA-N 0 0 507.586 5.563 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000019770181 193884082 /nfs/dbraw/zinc/88/40/82/193884082.db2.gz TVIMWXDXVPZHKE-DCFHFQCYSA-N 0 0 524.013 5.587 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000019770180 193884094 /nfs/dbraw/zinc/88/40/94/193884094.db2.gz TVIMWXDXVPZHKE-CCLHPLFOSA-N 0 0 524.013 5.587 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000019761292 193884153 /nfs/dbraw/zinc/88/41/53/193884153.db2.gz BTBCINOPBPFAQM-MMTVBGGISA-N 0 0 535.637 5.282 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019770395 193884398 /nfs/dbraw/zinc/88/43/98/193884398.db2.gz QYPCEJDCLIVNLB-NJHZRGNWSA-N 0 0 523.629 6.199 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019798575 193885116 /nfs/dbraw/zinc/88/51/16/193885116.db2.gz FBXRCVPFHWSREI-CLYVBNDRSA-N 0 0 505.998 5.916 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019798686 193885310 /nfs/dbraw/zinc/88/53/10/193885310.db2.gz PVTKLYMWOWPFFV-RQQMDJRQSA-N 0 0 518.868 7.350 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC[C@]5(c6ccccc6)CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533478 195477740 /nfs/dbraw/zinc/47/77/40/195477740.db2.gz LGDIDFRWJWLEEK-IKHVTZELSA-N 0 0 600.844 6.719 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(Br)=C\Br ZINC000100405342 554373412 /nfs/dbraw/zinc/37/34/12/554373412.db2.gz 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/nfs/dbraw/zinc/51/04/43/551510443.db2.gz OSJDUQHAGPNCIV-OGVWKLGRSA-N 0 0 567.682 6.596 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000649075 551510717 /nfs/dbraw/zinc/51/07/17/551510717.db2.gz IUMLMLHBGSYXPO-GPNASLBKSA-N 0 0 553.655 6.208 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000000649227 551511048 /nfs/dbraw/zinc/51/10/48/551511048.db2.gz WPQCLTHGMJAKLL-XJFCNFDWSA-N 0 0 539.628 5.817 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(O)c(OC)c2)cc1OC ZINC000000649576 551511442 /nfs/dbraw/zinc/51/14/42/551511442.db2.gz FYRANPVDNAPQRM-DFXYEROKSA-N 0 0 547.648 5.656 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650234 551512099 /nfs/dbraw/zinc/51/20/99/551512099.db2.gz LBQQRZPBKRFDNZ-IEWVHIKDSA-N 0 0 581.665 5.638 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000000650697 551512272 /nfs/dbraw/zinc/51/22/72/551512272.db2.gz SGAFLEFTBYITOE-XMMPIXPASA-N 0 0 539.426 5.429 50 30 KKEARN O=S(=O)(N=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccccc2)C(Cl)=C1Cl)c1ccccc1 ZINC000000652211 551512993 /nfs/dbraw/zinc/51/29/93/551512993.db2.gz VVGSNFGJZSFDRC-UHFFFAOYSA-N 0 0 524.234 5.038 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000654788 551513655 /nfs/dbraw/zinc/51/36/55/551513655.db2.gz UJMKPNOLGTXDQS-XMMPIXPASA-N 0 0 510.974 5.604 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc4c(c1)OCO4)N3)CCCC2 ZINC000000659085 551514518 /nfs/dbraw/zinc/51/45/18/551514518.db2.gz AVMDCHAVJVCKIN-YWZLYKJASA-N 0 0 515.517 5.336 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)N(CCc3ccccc3)C3=C2C(=O)CCC3)cc(Br)c1O ZINC000000659725 551515310 /nfs/dbraw/zinc/51/53/10/551515310.db2.gz VZCWRUMABOQMDR-UHFFFAOYSA-N 0 0 522.439 5.819 50 30 KKEARN CCN1C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000000660896 551515999 /nfs/dbraw/zinc/51/59/99/551515999.db2.gz OTHJQJGSMIMYHB-MYYYXRDXSA-N 0 0 525.033 5.778 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)Nc3cc(OC)ccc3OC)n2)cc1 ZINC000000662322 551516188 /nfs/dbraw/zinc/51/61/88/551516188.db2.gz MOESCIUKPONYKV-UHFFFAOYSA-N 0 0 517.632 6.105 50 30 KKEARN COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)cc1OC ZINC000000662310 551516193 /nfs/dbraw/zinc/51/61/93/551516193.db2.gz VYCRYZWCXYTKKZ-UHFFFAOYSA-N 0 0 501.633 5.774 50 30 KKEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NCc3ccccc3OC)n2)cc1 ZINC000000662325 551516224 /nfs/dbraw/zinc/51/62/24/551516224.db2.gz RAQWYGYEGUADAI-UHFFFAOYSA-N 0 0 501.633 5.774 50 30 aggregator KKEARN Cc1ccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)c2)cc1Cl ZINC000000665644 551516995 /nfs/dbraw/zinc/51/69/95/551516995.db2.gz BWNCOQURCKIAQJ-UHFFFAOYSA-N 0 0 548.079 7.066 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000000665752 551517142 /nfs/dbraw/zinc/51/71/42/551517142.db2.gz MMFJSTFAVCCJKS-UHFFFAOYSA-N 0 0 535.040 5.799 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665787 551517464 /nfs/dbraw/zinc/51/74/64/551517464.db2.gz QVHSVXLEKHIXNL-UHFFFAOYSA-N 0 0 599.909 6.138 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000000665798 551517466 /nfs/dbraw/zinc/51/74/66/551517466.db2.gz UUYYXBGWZVVWCS-UHFFFAOYSA-N 0 0 565.464 5.566 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000666990 551517942 /nfs/dbraw/zinc/51/79/42/551517942.db2.gz MHANWIIDIMKKSF-BZWCRFLISA-N 0 0 503.595 5.324 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000666919 551517957 /nfs/dbraw/zinc/51/79/57/551517957.db2.gz OSUWSLKXPZXDPE-UZTOHYMASA-N 0 0 522.041 6.292 50 30 biogenic,in-vitro KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000672207 551519443 /nfs/dbraw/zinc/51/94/43/551519443.db2.gz VDEXYJKJBSNKFV-INJOXJOKSA-N 0 0 531.656 7.340 50 30 KKEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000673105 551519682 /nfs/dbraw/zinc/51/96/82/551519682.db2.gz VUVZZLDNMPHKOR-UQBPGWFLSA-N 0 0 518.444 6.697 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000000672586 551519784 /nfs/dbraw/zinc/51/97/84/551519784.db2.gz STGHRSSSERIWNS-YMGMXPECSA-N 0 0 565.464 6.550 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000000672578 551519802 /nfs/dbraw/zinc/51/98/02/551519802.db2.gz STGHRSSSERIWNS-JYRCXFKTSA-N 0 0 565.464 6.550 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674114 551520957 /nfs/dbraw/zinc/52/09/57/551520957.db2.gz KINWNGNCMCOSKE-LGGPFLRQSA-N 0 0 505.530 6.402 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1I ZINC000000675593 551522089 /nfs/dbraw/zinc/52/20/89/551522089.db2.gz RWWVIOJDMMTNCW-SBUREZEXSA-N 0 0 513.375 5.216 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000000678656 551522591 /nfs/dbraw/zinc/52/25/91/551522591.db2.gz NENBLLUQTAYDHB-MMTVBGGISA-N 0 0 522.041 6.205 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Br ZINC000000678870 551522658 /nfs/dbraw/zinc/52/26/58/551522658.db2.gz YIKWXTHYJLLVHX-GKVSMKOHSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(Br)c2)cc1OC ZINC000000678857 551522669 /nfs/dbraw/zinc/52/26/69/551522669.db2.gz JUORSNZWLMWSCP-BCHFMIIMSA-N 0 0 540.454 5.780 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000000678906 551523034 /nfs/dbraw/zinc/52/30/34/551523034.db2.gz HRTQWKVYYXSVFO-SLGOVJDISA-N 0 0 539.628 6.421 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000000678911 551523078 /nfs/dbraw/zinc/52/30/78/551523078.db2.gz QCYLAORSNUMQFK-XHCCPWGMSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccccc2OC)cc1OC ZINC000000679071 551523207 /nfs/dbraw/zinc/52/32/07/551523207.db2.gz RSPNSLQPABQWON-WRONEBCDSA-N 0 0 517.622 5.560 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000679194 551523269 /nfs/dbraw/zinc/52/32/69/551523269.db2.gz MMJYQNSCKSUBBC-WHLCRQNOSA-N 0 0 521.610 5.034 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1 ZINC000000684601 551525370 /nfs/dbraw/zinc/52/53/70/551525370.db2.gz RSSMEQDZANRTEC-JGCGQSQUSA-N 0 0 504.586 6.539 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000000685669 551525814 /nfs/dbraw/zinc/52/58/14/551525814.db2.gz NRRUCRVGVRPCRQ-CAQRMWTPSA-N 0 0 523.677 6.852 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)on3)c2C#N)cc(OC)c1OC ZINC000000688215 551526400 /nfs/dbraw/zinc/52/64/00/551526400.db2.gz KLPUTDBEIKTTEM-UHFFFAOYSA-N 0 0 516.579 5.340 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000689152 551526728 /nfs/dbraw/zinc/52/67/28/551526728.db2.gz VUINUBTWTQASKR-BCHFMIIMSA-N 0 0 532.413 5.984 50 30 KKEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000689052 551526752 /nfs/dbraw/zinc/52/67/52/551526752.db2.gz XCLJLAKIWYGNLN-UVDDSOTQSA-N 0 0 536.031 6.995 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000689628 551527006 /nfs/dbraw/zinc/52/70/06/551527006.db2.gz NKWNWXRAZOSSQA-MYUZEXMDSA-N 0 0 504.964 6.619 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000690407 551527227 /nfs/dbraw/zinc/52/72/27/551527227.db2.gz JUSFGXVXEXPCFU-QFIPXVFZSA-N 0 0 506.977 6.687 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2ccc3c(c2)c2ccccc2n3C)c1 ZINC000000696071 551527958 /nfs/dbraw/zinc/52/79/58/551527958.db2.gz MPHOTNACJBJPJE-GZGVDWRWSA-N 0 0 552.678 7.035 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000000702681 551529756 /nfs/dbraw/zinc/52/97/56/551529756.db2.gz CCXXDTMSJMDQPO-MHZLTWQESA-N 0 0 519.594 5.890 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000702747 551529761 /nfs/dbraw/zinc/52/97/61/551529761.db2.gz CPVIOIUNVGCLJS-XCZPVHLTSA-N 0 0 513.590 5.422 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000703005 551530237 /nfs/dbraw/zinc/53/02/37/551530237.db2.gz IQZANUNCHUPQIW-PMERELPUSA-N 0 0 552.627 5.312 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000000703133 551530794 /nfs/dbraw/zinc/53/07/94/551530794.db2.gz CIPNXFRBMRYFJP-AREMUKBSSA-N 0 0 570.623 6.468 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000703180 551531010 /nfs/dbraw/zinc/53/10/10/551531010.db2.gz WZWJLLHWJLTTRG-PMERELPUSA-N 0 0 564.594 5.219 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000703179 551531022 /nfs/dbraw/zinc/53/10/22/551531022.db2.gz ONWOSAATKMDHDT-ROTAYESASA-N 0 0 562.622 5.771 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000000707870 551531842 /nfs/dbraw/zinc/53/18/42/551531842.db2.gz SCAWVRBZXJCQEC-KMRXNPHXSA-N 0 0 538.040 5.977 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000000707861 551531876 /nfs/dbraw/zinc/53/18/76/551531876.db2.gz FJZSFPXLVUJBAO-PZGXJGMVSA-N 0 0 501.623 5.941 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ncc(Br)cc2Br)nc(-c2cccs2)cc1C(F)(F)F ZINC000000708290 551532341 /nfs/dbraw/zinc/53/23/41/551532341.db2.gz GVIKNYQCDVXBAP-UHFFFAOYSA-N 0 0 578.233 6.351 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1OC ZINC000000710630 551533137 /nfs/dbraw/zinc/53/31/37/551533137.db2.gz FSFGCZHCPLVEAS-WGDIFIGCSA-N 0 0 505.412 6.446 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1 ZINC000000713967 551533877 /nfs/dbraw/zinc/53/38/77/551533877.db2.gz DSXXJIVLQZHDIK-IBGZPJMESA-N 0 0 507.837 5.508 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccc(F)cc2)cc1 ZINC000000716934 551534695 /nfs/dbraw/zinc/53/46/95/551534695.db2.gz AJHRYXJYNUHBHQ-HHHXNRCGSA-N 0 0 501.627 6.848 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000717685 551534766 /nfs/dbraw/zinc/53/47/66/551534766.db2.gz RMKBYVMPLCHDTJ-OWJWWREXSA-N 0 0 530.459 6.497 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000000717741 551535025 /nfs/dbraw/zinc/53/50/25/551535025.db2.gz LJUZQRQBCIVPKN-FYSMJZIKSA-N 0 0 512.400 5.001 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000000718271 551535213 /nfs/dbraw/zinc/53/52/13/551535213.db2.gz CLXOGWXCTKHVCL-QXNWPYRLSA-N 0 0 508.618 6.420 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccs3)C2)cc1OC ZINC000000719046 551535811 /nfs/dbraw/zinc/53/58/11/551535811.db2.gz PGJNQOIPYBMJNZ-WHLCRQNOSA-N 0 0 500.620 6.076 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000720402 551537234 /nfs/dbraw/zinc/53/72/34/551537234.db2.gz UAMWCNDXKMLXJX-XMMPIXPASA-N 0 0 538.394 5.566 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O ZINC000000725358 551537953 /nfs/dbraw/zinc/53/79/53/551537953.db2.gz BQQLPUUHZMNWLZ-BRJLIKDPSA-N 0 0 518.205 6.237 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000000728232 551538903 /nfs/dbraw/zinc/53/89/03/551538903.db2.gz FASBZLRDICDYMV-LGGPFLRQSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000000728526 551538912 /nfs/dbraw/zinc/53/89/12/551538912.db2.gz AJEJIZBONZDBBD-KCWXNJEJSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc(CC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)cc1OC ZINC000000728974 551539004 /nfs/dbraw/zinc/53/90/04/551539004.db2.gz HUIQUJGNFDTWGH-UHFFFAOYSA-N 0 0 517.585 6.533 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Br)c1O ZINC000000729565 551539332 /nfs/dbraw/zinc/53/93/32/551539332.db2.gz PACIYGJOGWLZGY-QUGAMOGWSA-N 0 0 505.412 6.451 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Br)c1O ZINC000000729562 551539473 /nfs/dbraw/zinc/53/94/73/551539473.db2.gz PACIYGJOGWLZGY-MRDQGFSESA-N 0 0 505.412 6.451 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000000797867 551543270 /nfs/dbraw/zinc/54/32/70/551543270.db2.gz RRBPUXWILZIVRA-DEOSSOPVSA-N 0 0 546.963 5.577 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000844128 551547766 /nfs/dbraw/zinc/54/77/66/551547766.db2.gz NCDXQEPYCVFZNG-UZUQRXQVSA-N 0 0 500.820 6.027 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000000844222 551548057 /nfs/dbraw/zinc/54/80/57/551548057.db2.gz OBNAWCDZVUUNLI-HSZRJFAPSA-N 0 0 512.400 5.265 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)cc3n2)cc1 ZINC000000845170 551548282 /nfs/dbraw/zinc/54/82/82/551548282.db2.gz QISVFMGVLMVQID-CYBMUJFWSA-N 0 0 511.529 5.734 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000000848059 551549385 /nfs/dbraw/zinc/54/93/85/551549385.db2.gz FIQHTMZZRQPVHW-HRFSGMKKSA-N 0 0 510.030 6.005 50 30 biogenic,in-vitro KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000000853909 551550213 /nfs/dbraw/zinc/55/02/13/551550213.db2.gz JPJGDYMZWKMZAG-LFVRLGFBSA-N 0 0 530.802 5.366 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1Br ZINC000000861329 551551225 /nfs/dbraw/zinc/55/12/25/551551225.db2.gz KQOWMLIMJYONIQ-FNZWTVRRSA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000000861358 551551272 /nfs/dbraw/zinc/55/12/72/551551272.db2.gz FFHZIHVUMZGNRB-AYWVHJORSA-N 0 0 511.593 5.982 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000861278 551551299 /nfs/dbraw/zinc/55/12/99/551551299.db2.gz HLKOVGOJHIGJSU-LYZGTLIUSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000000861359 551551310 /nfs/dbraw/zinc/55/13/10/551551310.db2.gz FFHZIHVUMZGNRB-HLADLETHSA-N 0 0 511.593 5.982 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(Br)c2)cc1 ZINC000000861459 551551495 /nfs/dbraw/zinc/55/14/95/551551495.db2.gz RZSFUNNIDRURSS-FNZWTVRRSA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000000861393 551551567 /nfs/dbraw/zinc/55/15/67/551551567.db2.gz FKTHINREAMZRNK-HRFSGMKKSA-N 0 0 502.567 5.451 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863394 551551850 /nfs/dbraw/zinc/55/18/50/551551850.db2.gz CRPOZTGDDBSCNZ-SSOJOUAXSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000000863405 551551916 /nfs/dbraw/zinc/55/19/16/551551916.db2.gz LMOVYNIAHXAJTM-QUGAMOGWSA-N 0 0 530.448 6.324 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000863458 551552044 /nfs/dbraw/zinc/55/20/44/551552044.db2.gz MPYSWONPSBHQAW-UPCLLVRISA-N 0 0 516.421 5.935 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000000863536 551552383 /nfs/dbraw/zinc/55/23/83/551552383.db2.gz GHKJNHAYEIVGDO-PUAOIOHZSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1nnc2ccccc21 ZINC000000872740 551554146 /nfs/dbraw/zinc/55/41/46/551554146.db2.gz VKWOHZHSACNWNY-UHFFFAOYSA-N 0 0 511.622 5.888 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1Br ZINC000000907421 551570062 /nfs/dbraw/zinc/57/00/62/551570062.db2.gz REAMPBSRELMDNW-UHFFFAOYSA-N 0 0 502.463 5.270 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccncc1 ZINC000000949869 551588845 /nfs/dbraw/zinc/58/88/45/551588845.db2.gz RJQGTGWJMACODH-UHFFFAOYSA-N 0 0 517.467 5.611 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)nnc1-c1ccco1 ZINC000000949855 551588874 /nfs/dbraw/zinc/58/88/74/551588874.db2.gz PZXYRNOVUAAECU-UHFFFAOYSA-N 0 0 506.440 5.809 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)N3CCCCC3)n2)cc1OC ZINC000000959126 551590097 /nfs/dbraw/zinc/59/00/97/551590097.db2.gz CIHFMIDADQLOHS-UHFFFAOYSA-N 0 0 508.043 6.062 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000000976840 551591021 /nfs/dbraw/zinc/59/10/21/551591021.db2.gz ORBZVUZXLMPVFM-QXEZREHESA-N 0 0 535.637 5.424 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000000985516 551592495 /nfs/dbraw/zinc/59/24/95/551592495.db2.gz UFULLQHSZKVZBV-UHFFFAOYSA-N 0 0 531.605 6.583 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000986568 551593055 /nfs/dbraw/zinc/59/30/55/551593055.db2.gz JQCXXEPNSXRKKH-FWUCURJTSA-N 0 0 552.627 5.801 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000000996012 551594571 /nfs/dbraw/zinc/59/45/71/551594571.db2.gz QBWRLQDTRUOVIB-JTQLQIEISA-N 0 0 566.428 6.549 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000000996013 551594588 /nfs/dbraw/zinc/59/45/88/551594588.db2.gz QBWRLQDTRUOVIB-SNVBAGLBSA-N 0 0 566.428 6.549 50 30 KKEARN CSc1c(C#N)c(-c2cccs2)nn1CNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001037394 551598903 /nfs/dbraw/zinc/59/89/03/551598903.db2.gz ANGBBPVMIBKSQB-UHFFFAOYSA-N 0 0 505.469 6.022 50 30 KKEARN CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCC(C)CC1 ZINC000001044618 551599189 /nfs/dbraw/zinc/59/91/89/551599189.db2.gz OBZQOXWJMLXRQS-MEFGMAGPSA-N 0 0 528.647 5.759 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001058150 551600259 /nfs/dbraw/zinc/60/02/59/551600259.db2.gz WCXWNBPUONBDED-HSZRJFAPSA-N 0 0 541.044 5.346 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)Nc1cccc(Cl)c1 ZINC000001064758 551601490 /nfs/dbraw/zinc/60/14/90/551601490.db2.gz GSXVROLUQVMSNB-UHFFFAOYSA-N 0 0 550.051 7.360 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000001067409 551602159 /nfs/dbraw/zinc/60/21/59/551602159.db2.gz QNYCOARKEOLHSB-UKPGIYTDSA-N 0 0 552.652 6.964 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCCc4ccccc4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000001074618 551603415 /nfs/dbraw/zinc/60/34/15/551603415.db2.gz BTNGZFOOMNHOFP-CHJDUVSTSA-N 0 0 551.664 6.310 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccccc2F)cc1 ZINC000001074545 551603437 /nfs/dbraw/zinc/60/34/37/551603437.db2.gz GECLHBOHBMFIDO-UZTOHYMASA-N 0 0 503.595 6.001 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccccc2F)cc1 ZINC000001074541 551603489 /nfs/dbraw/zinc/60/34/89/551603489.db2.gz GECLHBOHBMFIDO-WINIVTDRSA-N 0 0 503.595 6.001 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001074665 551603845 /nfs/dbraw/zinc/60/38/45/551603845.db2.gz BLRALXGGQVFQMF-WTYVLRPYSA-N 0 0 545.657 5.879 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001074685 551603867 /nfs/dbraw/zinc/60/38/67/551603867.db2.gz GOEUBBWMCWJGBE-KDYSTLNUSA-N 0 0 504.051 6.549 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001076866 551604325 /nfs/dbraw/zinc/60/43/25/551604325.db2.gz HNJGJVPYICDEEU-RBSBEOHCSA-N 0 0 579.491 6.853 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001077153 551604510 /nfs/dbraw/zinc/60/45/10/551604510.db2.gz ZJECRKRHKCRJRB-BZQUYTCOSA-N 0 0 525.468 6.897 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(Br)cc1OC ZINC000001089467 551607004 /nfs/dbraw/zinc/60/70/04/551607004.db2.gz MSQOICRCMLBJKB-WHEQGISXSA-N 0 0 518.429 5.062 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCc1ccccc1 ZINC000001103827 551609460 /nfs/dbraw/zinc/60/94/60/551609460.db2.gz UMFNMKLDGFZXDF-UKPGIYTDSA-N 0 0 562.622 5.771 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000001111141 551611339 /nfs/dbraw/zinc/61/13/39/551611339.db2.gz BYNGKQIGCKRECE-UDNBHOFDSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001111159 551611377 /nfs/dbraw/zinc/61/13/77/551611377.db2.gz QFLZUQODKRTDAC-UVDDSOTQSA-N 0 0 552.627 5.741 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000001117449 551612336 /nfs/dbraw/zinc/61/23/36/551612336.db2.gz QNFXMBWLOOPVRZ-CQSZACIVSA-N 0 0 538.888 5.955 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2OC)cc1OC ZINC000001123291 551613412 /nfs/dbraw/zinc/61/34/12/551613412.db2.gz BWUAZFHBAMPFTM-WKRVVKTRSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001132143 551615909 /nfs/dbraw/zinc/61/59/09/551615909.db2.gz ZNOJXNMKRIELNN-MMTVBGGISA-N 0 0 513.546 5.122 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc(Cl)c1O ZINC000001132171 551615928 /nfs/dbraw/zinc/61/59/28/551615928.db2.gz OMEPAFNYWRWEQK-INXRYCJYSA-N 0 0 556.030 5.667 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccc(N3CCOCC3)cc2)cc1 ZINC000001132792 551616260 /nfs/dbraw/zinc/61/62/60/551616260.db2.gz RNAXQDLMVGWBAM-WBBHLRKXSA-N 0 0 554.643 5.230 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000001168233 551620193 /nfs/dbraw/zinc/62/01/93/551620193.db2.gz VTPVYIFYCAVANL-NGOKVRLYSA-N 0 0 501.424 6.760 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000001178697 551620753 /nfs/dbraw/zinc/62/07/53/551620753.db2.gz HDPIVSMPIGAEOR-URAOTHONSA-N 0 0 500.042 6.717 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000001182245 551621058 /nfs/dbraw/zinc/62/10/58/551621058.db2.gz BSKBNXHQNOUPBV-WGDIFIGCSA-N 0 0 505.412 6.533 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1 ZINC000001186640 551621137 /nfs/dbraw/zinc/62/11/37/551621137.db2.gz WQZOGKXWCYKYQK-SSEXGKCCSA-N 0 0 526.633 6.379 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1 ZINC000001186639 551621154 /nfs/dbraw/zinc/62/11/54/551621154.db2.gz WQZOGKXWCYKYQK-PMERELPUSA-N 0 0 526.633 6.379 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2coc3ccc(Cl)cc3c2=O)C2=C(CC(C)(C)CC2=O)N1 ZINC000001189196 551621718 /nfs/dbraw/zinc/62/17/18/551621718.db2.gz VUFUHKILPSQTCU-AREMUKBSSA-N 0 0 518.009 5.836 50 30 biogenic KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000001202216 551623857 /nfs/dbraw/zinc/62/38/57/551623857.db2.gz LTHLSGJDYFDURR-VWLOTQADSA-N 0 0 554.437 5.534 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000001202364 551623870 /nfs/dbraw/zinc/62/38/70/551623870.db2.gz KWLSNHUQYAMMOH-DJUQAAIZSA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000001202369 551623884 /nfs/dbraw/zinc/62/38/84/551623884.db2.gz KWLSNHUQYAMMOH-YUDQIZAISA-N 0 0 509.602 5.809 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000001204243 551624136 /nfs/dbraw/zinc/62/41/36/551624136.db2.gz VMRRYIWFXVRKKD-PIIWDFAUSA-N 0 0 566.492 6.314 50 30 KKEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001213275 551625672 /nfs/dbraw/zinc/62/56/72/551625672.db2.gz UTCUJNYURCINBS-YWEHKCAJSA-N 0 0 501.623 5.592 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000001218581 551627077 /nfs/dbraw/zinc/62/70/77/551627077.db2.gz UYTRWBDFPMHRKY-MUUNZHRXSA-N 0 0 547.051 6.823 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@H]2c2cccs2)cc(OC)c1OC ZINC000001249971 551632197 /nfs/dbraw/zinc/63/21/97/551632197.db2.gz RDRFTBIJDMJKOY-PLTNMMHCSA-N 0 0 584.669 7.127 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001254334 551633048 /nfs/dbraw/zinc/63/30/48/551633048.db2.gz SNIVXFOXVVZNJO-XHCCPWGMSA-N 0 0 523.555 6.589 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccc(OC)cc2)cc1 ZINC000001260918 551633596 /nfs/dbraw/zinc/63/35/96/551633596.db2.gz BBVJBOLNYTZNON-QAJWAAMASA-N 0 0 553.619 5.250 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccc(OCCN3CCOCC3)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000001269394 551634363 /nfs/dbraw/zinc/63/43/63/551634363.db2.gz QZZCZVJCDCJUIJ-FQLXRVMXSA-N 0 0 575.705 6.313 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001299043 551637934 /nfs/dbraw/zinc/63/79/34/551637934.db2.gz WQOXGCDAFJMLJU-ROTAYESASA-N 0 0 554.643 6.032 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001306460 551639049 /nfs/dbraw/zinc/63/90/49/551639049.db2.gz QQHYAQUYNOOSLO-XMMPIXPASA-N 0 0 525.483 6.560 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001411039 551664727 /nfs/dbraw/zinc/66/47/27/551664727.db2.gz OHFFRYBPKRXGDP-SANMLTNESA-N 0 0 545.433 6.150 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000001413291 551665156 /nfs/dbraw/zinc/66/51/56/551665156.db2.gz UPMOFHFLRUTFBH-VWLOTQADSA-N 0 0 552.421 5.296 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001413433 551665437 /nfs/dbraw/zinc/66/54/37/551665437.db2.gz ZVZJHMXZIKLGND-AREMUKBSSA-N 0 0 561.432 5.856 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413415 551665493 /nfs/dbraw/zinc/66/54/93/551665493.db2.gz BSTXFWBWTNSVGD-RUZDIDTESA-N 0 0 531.406 5.760 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000001423005 551668800 /nfs/dbraw/zinc/66/88/00/551668800.db2.gz AVSMAZUAQICSRL-AMDXRBSFSA-N 0 0 536.694 5.308 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000001427282 551669404 /nfs/dbraw/zinc/66/94/04/551669404.db2.gz VEMVMQGEMHQTFH-CLYVBNDRSA-N 0 0 500.620 5.766 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000001427280 551669470 /nfs/dbraw/zinc/66/94/70/551669470.db2.gz DPRVUXBHNBYQCX-QYBDOPJKSA-N 0 0 500.620 5.766 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001431212 551669971 /nfs/dbraw/zinc/66/99/71/551669971.db2.gz IZCWNIKIIAQBDA-JIPXPUAJSA-N 0 0 514.603 5.804 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001431262 551670405 /nfs/dbraw/zinc/67/04/05/551670405.db2.gz SGSCAYVKOAPVHE-OLILMLBXSA-N 0 0 575.683 5.888 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Br)c1O ZINC000001434712 551670644 /nfs/dbraw/zinc/67/06/44/551670644.db2.gz MEZHBYFCCZVRLA-QZXCRCNTSA-N 0 0 581.463 6.169 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000001437510 551671462 /nfs/dbraw/zinc/67/14/62/551671462.db2.gz DPUDIVIYBCKIIS-CRYYWNKWSA-N 0 0 524.539 6.711 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000001437508 551671502 /nfs/dbraw/zinc/67/15/02/551671502.db2.gz DPUDIVIYBCKIIS-XGCWNURASA-N 0 0 524.539 6.711 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001438569 551671932 /nfs/dbraw/zinc/67/19/32/551671932.db2.gz ICLJWKPGDITEHV-RBTNQOKQSA-N 0 0 515.631 5.870 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001438570 551671942 /nfs/dbraw/zinc/67/19/42/551671942.db2.gz ICLJWKPGDITEHV-KMRXNPHXSA-N 0 0 515.631 5.870 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001438578 551671945 /nfs/dbraw/zinc/67/19/45/551671945.db2.gz YUOPCKUXXVLCKX-KCWXNJEJSA-N 0 0 545.657 5.879 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001438548 551671946 /nfs/dbraw/zinc/67/19/46/551671946.db2.gz OAKWONMKSKTMMT-PBBNMVCDSA-N 0 0 537.637 6.002 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000001438829 551672337 /nfs/dbraw/zinc/67/23/37/551672337.db2.gz XPNNBINOIFWQSZ-GDJIYFAZSA-N 0 0 547.648 5.568 50 30 KKEARN COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1Br ZINC000001440255 551672810 /nfs/dbraw/zinc/67/28/10/551672810.db2.gz HTNKOVCVLBRTBF-HPGBDJQBSA-N 0 0 565.464 6.463 50 30 KKEARN Cc1ccccc1[C@H]1CC(=O)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2 ZINC000001445838 551674002 /nfs/dbraw/zinc/67/40/02/551674002.db2.gz XMCMZVSDLOANDB-LJQANCHMSA-N 0 0 529.609 6.685 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445951 551674032 /nfs/dbraw/zinc/67/40/32/551674032.db2.gz DFQDSECIOUZPGJ-SFHVURJKSA-N 0 0 515.582 6.377 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000001449447 551674881 /nfs/dbraw/zinc/67/48/81/551674881.db2.gz ODSXENMGYSKLGG-JOCHJYFZSA-N 0 0 544.833 5.366 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001449924 551674901 /nfs/dbraw/zinc/67/49/01/551674901.db2.gz LQXOGNYBOBNZOQ-SANMLTNESA-N 0 0 574.655 6.121 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001450340 551675307 /nfs/dbraw/zinc/67/53/07/551675307.db2.gz NGTLVAREBNSXTK-SANMLTNESA-N 0 0 574.655 6.066 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000001450367 551675595 /nfs/dbraw/zinc/67/55/95/551675595.db2.gz ZTBVVHYOSLMZEG-RUZDIDTESA-N 0 0 530.602 5.804 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000001456950 551676676 /nfs/dbraw/zinc/67/66/76/551676676.db2.gz PINFLBBQVAGMKE-HPMVVLTCSA-N 0 0 530.624 6.918 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001458961 551677665 /nfs/dbraw/zinc/67/76/65/551677665.db2.gz QEMRRNBETSHQPM-WNSROMTISA-N 0 0 560.650 6.927 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(C)ccc2C)cc1OC ZINC000001460720 551677962 /nfs/dbraw/zinc/67/79/62/551677962.db2.gz LQOIMGKVLVDPIQ-GPNASLBKSA-N 0 0 536.672 6.629 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(C)ccc2C)cc1OC ZINC000001460718 551678066 /nfs/dbraw/zinc/67/80/66/551678066.db2.gz LQOIMGKVLVDPIQ-NRUKRWIHSA-N 0 0 536.672 6.629 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2)cc1 ZINC000001460723 551678078 /nfs/dbraw/zinc/67/80/78/551678078.db2.gz NIZXVDULRSLZRA-SMSORMJASA-N 0 0 524.617 5.713 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460758 551678209 /nfs/dbraw/zinc/67/82/09/551678209.db2.gz QWHSTXVMUMFHAU-KCEHZKJRSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460756 551678211 /nfs/dbraw/zinc/67/82/11/551678211.db2.gz DDWIKRVPFUKKLS-UDNBHOFDSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc1 ZINC000001460762 551678217 /nfs/dbraw/zinc/67/82/17/551678217.db2.gz RTWSSBPXJZQQMD-DFXYEROKSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccccc2OC)cc1 ZINC000001460777 551678230 /nfs/dbraw/zinc/67/82/30/551678230.db2.gz ZIUVRWMKOWTJNN-ROTAYESASA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(O)cc2)cc1 ZINC000001460970 551678718 /nfs/dbraw/zinc/67/87/18/551678718.db2.gz UCRJHGJVSPHDON-JRPXNJEYSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000001460967 551678792 /nfs/dbraw/zinc/67/87/92/551678792.db2.gz UCRJHGJVSPHDON-IIMAJNMQSA-N 0 0 540.616 5.418 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460979 551679032 /nfs/dbraw/zinc/67/90/32/551679032.db2.gz MNRABOZNVIBHCU-ROTAYESASA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460997 551679065 /nfs/dbraw/zinc/67/90/65/551679065.db2.gz GPYWOILXFVYHOE-UVDDSOTQSA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000001461037 551679154 /nfs/dbraw/zinc/67/91/54/551679154.db2.gz DFMSLPVAIIUQKG-BGOLNKOXSA-N 0 0 554.643 5.721 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001461023 551679156 /nfs/dbraw/zinc/67/91/56/551679156.db2.gz GDJWKCSYGLFLRU-QNLPTKCRSA-N 0 0 552.671 6.275 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(OC)c(O)c2)cc1 ZINC000001461030 551679205 /nfs/dbraw/zinc/67/92/05/551679205.db2.gz ITQPCVJUGURINT-ROTAYESASA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001461015 551679226 /nfs/dbraw/zinc/67/92/26/551679226.db2.gz KFLLPDDIWRSKPL-JPQMRUPTSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(O)c1 ZINC000001461076 551679508 /nfs/dbraw/zinc/67/95/08/551679508.db2.gz GHMDXZNDOATLDF-DFXYEROKSA-N 0 0 540.616 5.418 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461083 551679551 /nfs/dbraw/zinc/67/95/51/551679551.db2.gz TULDWSLHSPHYAQ-UGDMGKLASA-N 0 0 554.643 5.727 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000001465505 551680009 /nfs/dbraw/zinc/68/00/09/551680009.db2.gz KDOVXPIBSMHCRN-UHFFFAOYSA-N 0 0 578.119 5.493 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480648 551681864 /nfs/dbraw/zinc/68/18/64/551681864.db2.gz KJMVJJARQARTPL-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480657 551681949 /nfs/dbraw/zinc/68/19/49/551681949.db2.gz PRCGLGHBRZNZLX-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480840 551682240 /nfs/dbraw/zinc/68/22/40/551682240.db2.gz QJKCYBDBLHNVRH-DEOSSOPVSA-N 0 0 548.592 5.861 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482275 551682657 /nfs/dbraw/zinc/68/26/57/551682657.db2.gz GHZMFQUZEWEPBD-VWLOTQADSA-N 0 0 530.602 5.804 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CC(C)(C)SC3 ZINC000001759556 551694157 /nfs/dbraw/zinc/69/41/57/551694157.db2.gz SIDUSHRSYPDFAH-UHFFFAOYSA-N 0 0 526.536 6.250 50 30 KKEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CCc3ccc(F)cc3)C(C)=C2C(=O)c2ccccc2)cc1OC ZINC000001796595 551702919 /nfs/dbraw/zinc/70/29/19/551702919.db2.gz PQOHYOSSHHMYLP-GDLZYMKVSA-N 0 0 570.539 5.116 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001808211 551705064 /nfs/dbraw/zinc/70/50/64/551705064.db2.gz RFSMDZMIYQFPIA-UHFFFAOYSA-N 0 0 571.102 7.191 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccccc1Cl ZINC000001811301 551706487 /nfs/dbraw/zinc/70/64/87/551706487.db2.gz HOKRONLUNXLYCC-UHFFFAOYSA-N 0 0 530.506 6.524 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)C[C@H](C(C)C)OC3 ZINC000001821598 551708832 /nfs/dbraw/zinc/70/88/32/551708832.db2.gz ILZIQFUZRPXQAS-OAQYLSRUSA-N 0 0 510.729 6.563 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001824599 551709761 /nfs/dbraw/zinc/70/97/61/551709761.db2.gz VQEDTLPQGRMUEJ-UHFFFAOYSA-N 0 0 577.493 7.227 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C1 ZINC000001833705 551711934 /nfs/dbraw/zinc/71/19/34/551711934.db2.gz YVHLWBAEWSJRBL-HNNXBMFYSA-N 0 0 501.674 5.313 50 30 KKEARN CCc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(OC)cc3)c2C#N)cc1 ZINC000001834636 551712027 /nfs/dbraw/zinc/71/20/27/551712027.db2.gz IGEFHEWAQVHKSW-UHFFFAOYSA-N 0 0 536.657 6.483 50 30 KKEARN N#Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C#N)c(C#N)c4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1C#N ZINC000001852886 551715718 /nfs/dbraw/zinc/71/57/18/551715718.db2.gz DUCLZGCWKNRGMJ-UHFFFAOYSA-N 0 0 588.467 8.169 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000001869169 551719052 /nfs/dbraw/zinc/71/90/52/551719052.db2.gz YFFAYDLVDYQFCZ-IBGZPJMESA-N 0 0 508.326 7.843 50 30 KKEARN COC(=O)[C@@]1(OC)C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(OC(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1 ZINC000001869150 551719064 /nfs/dbraw/zinc/71/90/64/551719064.db2.gz UJVQPBSBWHFANL-XIFFEERXSA-N 0 0 578.577 5.400 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)n(Cc2ccco2)c(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000001869211 551719068 /nfs/dbraw/zinc/71/90/68/551719068.db2.gz IMJJQUAPQVUQQQ-XZYGTATASA-N 0 0 554.610 6.614 50 30 KKEARN CCCCOP(=O)(OCCCC)[C@]1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000001875744 551722266 /nfs/dbraw/zinc/72/22/66/551722266.db2.gz CCPFIQQHENBNPE-XMMPIXPASA-N 0 0 560.436 6.617 50 30 KKEARN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1O ZINC000001882899 551724608 /nfs/dbraw/zinc/72/46/08/551724608.db2.gz JLNCPSJAHQOQGD-KIBLKLHPSA-N 0 0 539.156 6.871 50 30 KKEARN COc1ccc(C(=O)O/N=C(/c2ccc(OC)c(OC)c2)c2nccc3cc(OC)c(OC)cc32)cc1Br ZINC000001885202 551725501 /nfs/dbraw/zinc/72/55/01/551725501.db2.gz HWRYZZWCOOLNEK-ZXPTYKNPSA-N 0 0 581.419 5.650 50 30 biogenic KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Br)CCCCC2 ZINC000001886065 551725630 /nfs/dbraw/zinc/72/56/30/551725630.db2.gz SESFXNZVQIXDCR-UHFFFAOYSA-N 0 0 566.428 6.693 50 30 KKEARN CCCCOP(=O)(OCCCC)[C@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000001891303 551726489 /nfs/dbraw/zinc/72/64/89/551726489.db2.gz QGCMPRJGYVIUER-XMMPIXPASA-N 0 0 570.442 6.120 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2sc3c(c2c1=O)CCC3 ZINC000001895223 551727315 /nfs/dbraw/zinc/72/73/15/551727315.db2.gz ZPEHTWCXFYZCBP-UHFFFAOYSA-N 0 0 543.736 5.371 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000001896073 551727975 /nfs/dbraw/zinc/72/79/75/551727975.db2.gz MHNDXISXASKCOJ-UHFFFAOYSA-N 0 0 501.555 6.061 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000001896095 551727995 /nfs/dbraw/zinc/72/79/95/551727995.db2.gz AADYFHUHTDEAFF-UHFFFAOYSA-N 0 0 565.742 6.077 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)cc1 ZINC000001896843 551728337 /nfs/dbraw/zinc/72/83/37/551728337.db2.gz UUKRJNVQLUHKOB-WJOKGBTCSA-N 0 0 580.603 5.755 50 30 KKEARN C[C@H](NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n1-c1ccccc1)c1ccccc1 ZINC000001897146 551728614 /nfs/dbraw/zinc/72/86/14/551728614.db2.gz KKDTZQYHBFWITR-YFLJXIGZSA-N 0 0 585.607 5.558 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(=O)N2CCc1ccc(F)cc1 ZINC000001901006 551731102 /nfs/dbraw/zinc/73/11/02/551731102.db2.gz SKOWBSOFSBIAET-VWLOTQADSA-N 0 0 556.478 5.604 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)nnc1-c1ccccc1Br ZINC000001906359 551731861 /nfs/dbraw/zinc/73/18/61/551731861.db2.gz OVBNWTWLYGEPRD-UHFFFAOYSA-N 0 0 574.957 6.634 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906420 551732102 /nfs/dbraw/zinc/73/21/02/551732102.db2.gz WMKSEHBSKXDWRJ-UHFFFAOYSA-N 0 0 561.476 6.124 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccc(F)cc1 ZINC000001906428 551732110 /nfs/dbraw/zinc/73/21/10/551732110.db2.gz CEJAVXZDHMAVHD-UHFFFAOYSA-N 0 0 534.469 6.355 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc4ccccc43)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906418 551732116 /nfs/dbraw/zinc/73/21/16/551732116.db2.gz GYQHGHGMFSJNFQ-UHFFFAOYSA-N 0 0 542.646 5.971 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906481 551732134 /nfs/dbraw/zinc/73/21/34/551732134.db2.gz DVYCAGNAADIWAV-UHFFFAOYSA-N 0 0 582.593 6.969 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000001906619 551732304 /nfs/dbraw/zinc/73/23/04/551732304.db2.gz JFPZGMGLAHXIGU-UHFFFAOYSA-N 0 0 564.058 6.505 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1C1CCCCC1 ZINC000001906656 551732420 /nfs/dbraw/zinc/73/24/20/551732420.db2.gz SLSRLWZVRJCCSE-UHFFFAOYSA-N 0 0 522.527 6.597 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001906690 551732427 /nfs/dbraw/zinc/73/24/27/551732427.db2.gz KKVDYUZHPYIDNR-UHFFFAOYSA-N 0 0 560.532 6.436 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000001906681 551732458 /nfs/dbraw/zinc/73/24/58/551732458.db2.gz GVQNBDHGEUCKFH-UHFFFAOYSA-N 0 0 560.532 6.436 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000001906706 551732472 /nfs/dbraw/zinc/73/24/72/551732472.db2.gz ZZOYXQOEIORCBE-UHFFFAOYSA-N 0 0 574.501 5.723 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000001906622 551732496 /nfs/dbraw/zinc/73/24/96/551732496.db2.gz RUYFOAFNLJRUPH-UHFFFAOYSA-N 0 0 511.676 5.986 50 30 KKEARN N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1c(Cl)ccc(Cl)c1Cl ZINC000001914961 551733303 /nfs/dbraw/zinc/73/33/03/551733303.db2.gz QWAKNJIDXBNCEO-UHFFFAOYSA-N 0 0 550.725 9.847 50 30 KKEARN O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccc(-c4ccccc4)cc3)nc2/N=C/c2cc(Br)ccc2O)c1 ZINC000001950886 551735098 /nfs/dbraw/zinc/73/50/98/551735098.db2.gz CACBYEUPOOWZTR-VMFUUAOBSA-N 0 0 566.415 7.226 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000001955154 551735757 /nfs/dbraw/zinc/73/57/57/551735757.db2.gz MTASXPNILPPPAL-RPPGKUMJSA-N 0 0 530.216 7.183 50 30 KKEARN CCCCCCCC(=O)Oc1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000001995058 551736073 /nfs/dbraw/zinc/73/60/73/551736073.db2.gz SPZRZHLGUREFPE-UHFFFAOYSA-N 0 0 503.209 7.367 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000002026070 551736434 /nfs/dbraw/zinc/73/64/34/551736434.db2.gz WNEJMDOIWKHPFQ-GZGVDWRWSA-N 0 0 503.642 8.094 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002026108 551736442 /nfs/dbraw/zinc/73/64/42/551736442.db2.gz SHTHKAMHJXRPQD-RBBQXQBVSA-N 0 0 518.613 7.994 50 30 KKEARN N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000002026131 551736447 /nfs/dbraw/zinc/73/64/47/551736447.db2.gz JKKBAWGDUYCLEY-UHFFFAOYSA-N 0 0 518.411 6.920 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002026103 551736467 /nfs/dbraw/zinc/73/64/67/551736467.db2.gz SHTHKAMHJXRPQD-GJBXTBEHSA-N 0 0 518.613 7.994 50 30 KKEARN Cc1ccc(/C(=N/Cc2ccccc2)n2c(=S)nc(-c3ccc(C)cc3)n(Cc3ccccc3)c2=S)cc1 ZINC000002027116 551736658 /nfs/dbraw/zinc/73/66/58/551736658.db2.gz PDYXKUJZDKQLGI-IYOYZZHUSA-N 0 0 532.738 7.971 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002030053 551736787 /nfs/dbraw/zinc/73/67/87/551736787.db2.gz NOLBOUUVEQETBV-CAQRMWTPSA-N 0 0 508.061 8.739 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000002051908 551738782 /nfs/dbraw/zinc/73/87/82/551738782.db2.gz RPVCXWSBMMDVON-KBKYJPHKSA-N 0 0 530.216 7.101 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002055371 551739667 /nfs/dbraw/zinc/73/96/67/551739667.db2.gz SALFFZPMEAMJTM-NDEPHWFRSA-N 0 0 519.638 5.458 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(I)cc1 ZINC000002055170 551739705 /nfs/dbraw/zinc/73/97/05/551739705.db2.gz ONNMSOSTXXEIRD-OAQYLSRUSA-N 0 0 507.412 5.629 50 30 KKEARN O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1)c1ccccc1Cl ZINC000002056855 551740087 /nfs/dbraw/zinc/74/00/87/551740087.db2.gz ABRDQBARZHHBCI-OCSSWDANSA-N 0 0 519.826 7.402 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2I)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002057975 551740574 /nfs/dbraw/zinc/74/05/74/551740574.db2.gz BJZDWOVLIDIARE-HRFSGMKKSA-N 0 0 567.467 6.529 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OCC ZINC000002059483 551741268 /nfs/dbraw/zinc/74/12/68/551741268.db2.gz BXNVTTBLBWVPOT-RQZCQDPDSA-N 0 0 588.623 6.015 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2I)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002059513 551741507 /nfs/dbraw/zinc/74/15/07/551741507.db2.gz PCFLIUUCRAFJLH-RBISFHTESA-N 0 0 575.446 6.396 50 30 KKEARN CCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000002060731 551742330 /nfs/dbraw/zinc/74/23/30/551742330.db2.gz KPPKJQVKNLJVFH-ZOIMQIDFSA-N 0 0 572.499 6.717 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002061984 551742897 /nfs/dbraw/zinc/74/28/97/551742897.db2.gz RHGXARMWCLVIED-PZGXJGMVSA-N 0 0 516.012 6.627 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n1)CCCCC2 ZINC000002061969 551742971 /nfs/dbraw/zinc/74/29/71/551742971.db2.gz WPRFDMHOHYLEAH-UHFFFAOYSA-N 0 0 550.393 7.176 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1 ZINC000002062530 551743518 /nfs/dbraw/zinc/74/35/18/551743518.db2.gz RRRNZYJHHVLROX-PMERELPUSA-N 0 0 509.602 5.856 50 30 KKEARN CCCCCCCCOC(=O)c1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000002062910 551743819 /nfs/dbraw/zinc/74/38/19/551743819.db2.gz LHKVVTCDWMPCIL-UHFFFAOYSA-N 0 0 517.236 7.618 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000002062899 551743823 /nfs/dbraw/zinc/74/38/23/551743823.db2.gz RCLZBZZSEUEXOC-UHFFFAOYSA-N 0 0 517.236 7.618 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002063200 551744134 /nfs/dbraw/zinc/74/41/34/551744134.db2.gz JEZHOUJSKOKRBI-SUYBVONHSA-N 0 0 523.629 5.817 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000002063268 551744361 /nfs/dbraw/zinc/74/43/61/551744361.db2.gz GUMYVKCPABEUPT-WVXBCFDCSA-N 0 0 544.047 6.332 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063255 551744398 /nfs/dbraw/zinc/74/43/98/551744398.db2.gz LMZUYQHFVGZZOP-CMVGPNDKSA-N 0 0 533.668 7.113 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063253 551744406 /nfs/dbraw/zinc/74/44/06/551744406.db2.gz LMZUYQHFVGZZOP-SYBRLPANSA-N 0 0 533.668 7.113 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000002066355 551745255 /nfs/dbraw/zinc/74/52/55/551745255.db2.gz NQERXVKKRNTYFG-QFIPXVFZSA-N 0 0 504.421 5.515 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000002069087 551746661 /nfs/dbraw/zinc/74/66/61/551746661.db2.gz HXROMLSWMVVZJS-UHFFFAOYSA-N 0 0 521.053 7.328 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002071438 551747343 /nfs/dbraw/zinc/74/73/43/551747343.db2.gz GRPVYDRGRPSAFQ-MWBNBJEGSA-N 0 0 567.428 8.933 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002072846 551747869 /nfs/dbraw/zinc/74/78/69/551747869.db2.gz YUTOARRBIOAMEZ-XHCCPWGMSA-N 0 0 521.610 5.036 50 30 KKEARN Cc1ccc(C)c(/N=C2\S/C(=C3\C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cc(C)ccc2C)c1 ZINC000002073782 551748280 /nfs/dbraw/zinc/74/82/80/551748280.db2.gz FECZEWHLCORIFK-BRKSMKGBSA-N 0 0 502.039 7.013 50 30 KKEARN Cc1ccc(N2C(=C(c3ccccc3)c3ccccc3)S[C@]3(c4ccccc4)OC(=O)C(=O)C3=C2c2ccccc2)cc1 ZINC000002077739 551750377 /nfs/dbraw/zinc/75/03/77/551750377.db2.gz RWVQYOBPBVOMHI-LHEWISCISA-N 0 0 577.705 8.356 50 30 KKEARN C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000002080429 551751242 /nfs/dbraw/zinc/75/12/42/551751242.db2.gz QYOKWQOWWBRUAB-LPYMAVHISA-N 0 0 502.419 6.369 50 30 KKEARN C=CCOc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)OC2=O)cc1OCC ZINC000002081004 551751273 /nfs/dbraw/zinc/75/12/73/551751273.db2.gz AKNBGKLZKTZKHR-LICLKQGHSA-N 0 0 509.727 5.253 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)sc2C1 ZINC000002081664 551751692 /nfs/dbraw/zinc/75/16/92/551751692.db2.gz XHBNNYRABUEIPS-SFHVURJKSA-N 0 0 514.094 8.282 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002082389 551752468 /nfs/dbraw/zinc/75/24/68/551752468.db2.gz OSLDDUYTETWCJQ-LJAQVGFWSA-N 0 0 556.584 7.675 50 30 KKEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)nc4ccccc43)sc2C1 ZINC000002083846 551753637 /nfs/dbraw/zinc/75/36/37/551753637.db2.gz FRUOMZUYFLNGQN-HNNXBMFYSA-N 0 0 506.458 7.909 50 30 KKEARN C=CCc1cccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2OCc2ccccc2)c1O ZINC000002085859 551755725 /nfs/dbraw/zinc/75/57/25/551755725.db2.gz VIFOJSFDKUFOPL-GDLZYMKVSA-N 0 0 584.470 6.374 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc1OCC ZINC000002087062 551756810 /nfs/dbraw/zinc/75/68/10/551756810.db2.gz DYMAIGPRWUVFAR-NRFANRHFSA-N 0 0 594.329 6.642 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC ZINC000002087081 551756843 /nfs/dbraw/zinc/75/68/43/551756843.db2.gz NVKMMELNJKPXDD-LDNBCZFNSA-N 0 0 579.560 8.289 50 30 KKEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)C(F)(F)C(F)(F)C(=O)Nc3sc4c(c3C#N)CC[C@H](CC)C4)sc2C1 ZINC000002098626 551761985 /nfs/dbraw/zinc/76/19/85/551761985.db2.gz BOJYDAFZRKDAJX-OKILXGFUSA-N 0 0 566.646 6.431 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000002105709 551763275 /nfs/dbraw/zinc/76/32/75/551763275.db2.gz GAOCLLYRGMFMRC-HSZRJFAPSA-N 0 0 556.453 5.527 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000002105741 551763570 /nfs/dbraw/zinc/76/35/70/551763570.db2.gz WKNBGAOVJCFZIZ-SANMLTNESA-N 0 0 554.481 6.204 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccco3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002106469 551764085 /nfs/dbraw/zinc/76/40/85/551764085.db2.gz VNAJDMRXVHHRHI-UHFFFAOYSA-N 0 0 569.730 6.142 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc32)c(C#N)c1-c1ccc(F)cc1 ZINC000002108247 551765491 /nfs/dbraw/zinc/76/54/91/551765491.db2.gz GIZKRZSWFGNDLS-UHFFFAOYSA-N 0 0 535.644 8.237 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002108423 551765828 /nfs/dbraw/zinc/76/58/28/551765828.db2.gz JWEZIWWBHCXQCX-SANMLTNESA-N 0 0 543.582 6.460 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108569 551766093 /nfs/dbraw/zinc/76/60/93/551766093.db2.gz QISIUGIBVMXUSU-QFIPXVFZSA-N 0 0 576.871 5.790 50 30 KKEARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)c1 ZINC000002108664 551766263 /nfs/dbraw/zinc/76/62/63/551766263.db2.gz IGLWWHQOKISEQL-UHFFFAOYSA-N 0 0 512.660 6.238 50 30 KKEARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C(=O)OC(C)C)cc1 ZINC000002110726 551767133 /nfs/dbraw/zinc/76/71/33/551767133.db2.gz BRJQWWTWIIHNIX-GFCCVEGCSA-N 0 0 563.482 7.901 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(OCC)ccc1Br)N(C(C)=O)c1ccccc1-2 ZINC000002114031 551768713 /nfs/dbraw/zinc/76/87/13/551768713.db2.gz ZQBSYGKOQYLWRG-JOCHJYFZSA-N 0 0 513.417 5.422 50 30 KKEARN C=CCOc1c(Br)cc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1OCC ZINC000002114075 551768896 /nfs/dbraw/zinc/76/88/96/551768896.db2.gz SRVNHMVAILAKIR-RUZDIDTESA-N 0 0 571.497 6.211 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Br)c1OC)N(C(=O)CC)c1ccccc1-2 ZINC000002122475 551771010 /nfs/dbraw/zinc/77/10/10/551771010.db2.gz WOYRRKMZULGTOW-JOCHJYFZSA-N 0 0 547.862 6.075 50 30 KKEARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000002123957 551771417 /nfs/dbraw/zinc/77/14/17/551771417.db2.gz RZQCTBFXLCLUPX-UHFFFAOYSA-N 0 0 582.524 7.720 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000002128366 551772228 /nfs/dbraw/zinc/77/22/28/551772228.db2.gz QDMLFRJZVACBNH-UHFFFAOYSA-N 0 0 549.461 7.069 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000002128400 551772236 /nfs/dbraw/zinc/77/22/36/551772236.db2.gz YITHQLYHLRDBRH-UHFFFAOYSA-N 0 0 505.010 6.959 50 30 KKEARN COc1ccc(/C(=N/OC(=O)c2ccc(Br)cc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000002140232 551774623 /nfs/dbraw/zinc/77/46/23/551774623.db2.gz RUDPVKAMGSQKJK-JVCXMKTPSA-N 0 0 551.393 5.641 50 30 biogenic KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000002142107 551774967 /nfs/dbraw/zinc/77/49/67/551774967.db2.gz SZFRXNBLVHJYEA-UNOMPAQXSA-N 0 0 517.401 5.006 50 30 KKEARN CCOc1cc(/C=N/n2cnnc2)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000002149542 551777823 /nfs/dbraw/zinc/77/78/23/551777823.db2.gz CGWUBXZDPGBHCV-MUFRIFMGSA-N 0 0 513.436 5.827 50 30 KKEARN Cc1ccc(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3ccccc3Cl)C3=C2CCCC3=O)cc1Cl ZINC000002151117 551778123 /nfs/dbraw/zinc/77/81/23/551778123.db2.gz LLYHIFOKBOBKCY-RUZDIDTESA-N 0 0 503.429 6.966 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151365 551778379 /nfs/dbraw/zinc/77/83/79/551778379.db2.gz YHXOXTZGPPCSHS-AREMUKBSSA-N 0 0 557.488 6.758 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151463 551778555 /nfs/dbraw/zinc/77/85/55/551778555.db2.gz OTBYEGHZHOESTI-NDEPHWFRSA-N 0 0 522.645 6.312 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002151958 551778760 /nfs/dbraw/zinc/77/87/60/551778760.db2.gz ZQZROBFYNRTDHL-GDLZYMKVSA-N 0 0 587.686 7.852 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002153070 551779119 /nfs/dbraw/zinc/77/91/19/551779119.db2.gz MTJPZCYTCSHPND-QFIPXVFZSA-N 0 0 567.833 7.364 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002153045 551779142 /nfs/dbraw/zinc/77/91/42/551779142.db2.gz KSWMUYDTVOGSJI-QHCPKHFHSA-N 0 0 535.031 7.323 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002152816 551779178 /nfs/dbraw/zinc/77/91/78/551779178.db2.gz ANXCEWXGZGILPA-CBZJRKILSA-N 0 0 539.409 7.272 50 30 KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc(OC)c1OC ZINC000002161515 551781028 /nfs/dbraw/zinc/78/10/28/551781028.db2.gz NIMMMPORSDGCMR-OGQLAUOESA-N 0 0 500.503 5.255 50 30 biogenic KKEARN C#CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cc1Br ZINC000002170883 551782302 /nfs/dbraw/zinc/78/23/02/551782302.db2.gz IQFQHLSPJFKNKN-JOCHJYFZSA-N 0 0 501.302 6.251 50 30 KKEARN CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002177818 551783732 /nfs/dbraw/zinc/78/37/32/551783732.db2.gz ZKJLUFBSYGZPJG-UHFFFAOYSA-N 0 0 576.177 8.644 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(Cl)cc1O ZINC000002177804 551783797 /nfs/dbraw/zinc/78/37/97/551783797.db2.gz YDJYZEBMHBINIK-UHFFFAOYSA-N 0 0 540.487 7.598 50 30 KKEARN Cc1nn(-c2ccc(F)cc2F)c2c1C(Cl)C(=CN=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000002182349 551785469 /nfs/dbraw/zinc/78/54/69/551785469.db2.gz HOKAKXLPGHQCKV-AOJZPQQRSA-N 0 0 534.838 7.491 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000002185685 551786784 /nfs/dbraw/zinc/78/67/84/551786784.db2.gz KBCFUUIYAJMKDO-XBBWARJSSA-N 0 0 594.502 6.424 50 30 KKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185696 551786955 /nfs/dbraw/zinc/78/69/55/551786955.db2.gz GIWFVTDPNNDTFJ-QLXKLKPCSA-N 0 0 507.970 5.168 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C3CCCCC3)C1=O)S2 ZINC000002186175 551787174 /nfs/dbraw/zinc/78/71/74/551787174.db2.gz SSDKSUIIGCUECN-BZUZNSEFSA-N 0 0 536.723 5.839 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1c(F)cccc1Cl ZINC000002185868 551787179 /nfs/dbraw/zinc/78/71/79/551787179.db2.gz DJDXLEFFOFEEID-JGCGQSQUSA-N 0 0 542.050 8.529 50 30 KKEARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1 ZINC000002186899 551787912 /nfs/dbraw/zinc/78/79/12/551787912.db2.gz NWCCFFUYIXRXGB-KBKYJPHKSA-N 0 0 546.899 7.208 50 30 KKEARN O=C1SC(c2cc(I)ccc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000002187728 551788133 /nfs/dbraw/zinc/78/81/33/551788133.db2.gz WHLPQWCBSBLFPN-MTJSOVHGSA-N 0 0 531.802 6.585 50 30 KKEARN C#CCOc1c(I)cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188143 551788381 /nfs/dbraw/zinc/78/83/81/551788381.db2.gz LOYIFOXPKOBEAP-HHHXNRCGSA-N 0 0 563.435 6.775 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)s1 ZINC000002188210 551788427 /nfs/dbraw/zinc/78/84/27/551788427.db2.gz QVSANJPVEZOZRV-HSZRJFAPSA-N 0 0 523.655 5.934 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190991 551789936 /nfs/dbraw/zinc/78/99/36/551789936.db2.gz VZFSULRMCJUPMN-GDJIYFAZSA-N 0 0 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/nfs/dbraw/zinc/16/99/73/552169973.db2.gz UORDWBOZCASORH-OOWIMERYSA-N 0 0 522.645 5.736 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccccc2Br)c(C)s1 ZINC000002735770 552169991 /nfs/dbraw/zinc/16/99/91/552169991.db2.gz MSUSXWRWKYOSQF-DEOSSOPVSA-N 0 0 516.457 5.929 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002736021 552169993 /nfs/dbraw/zinc/16/99/93/552169993.db2.gz UORDWBOZCASORH-VVFBEHOQSA-N 0 0 522.645 5.736 50 30 KKEARN C=CCc1cccc([C@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccccc2OCC)c1O ZINC000002746673 552174091 /nfs/dbraw/zinc/17/40/91/552174091.db2.gz HOOKXIHGMJGSLO-DEOSSOPVSA-N 0 0 569.399 5.036 50 30 KKEARN COc1ccc([C@@H]2Nc3c(sc4nc(C(F)(F)F)cc(C)c43)C(=O)N2)cc1COCC(F)(F)C(F)F ZINC000002747938 552174971 /nfs/dbraw/zinc/17/49/71/552174971.db2.gz BQNXJFQSTKHZES-QGZVFWFLSA-N 0 0 537.457 5.903 50 30 KKEARN C#CCOc1ccc(Br)c([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000002748587 552175224 /nfs/dbraw/zinc/17/52/24/552175224.db2.gz ZTEYRKVACCVPCX-LJAQVGFWSA-N 0 0 582.454 5.952 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000002752083 552176157 /nfs/dbraw/zinc/17/61/57/552176157.db2.gz FERHARCQPZTWFM-XMMPIXPASA-N 0 0 544.873 6.459 50 30 KKEARN CCCCOc1c(Br)cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc1OC ZINC000002753273 552176644 /nfs/dbraw/zinc/17/66/44/552176644.db2.gz IVIBXNHDQVZEBG-PXLXIMEGSA-N 0 0 511.441 6.681 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002757316 552178612 /nfs/dbraw/zinc/17/86/12/552178612.db2.gz BUBSWYQEWQVCNH-WJOKGBTCSA-N 0 0 537.656 6.492 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002757431 552178833 /nfs/dbraw/zinc/17/88/33/552178833.db2.gz UEAVJGVLWKYQJG-CLYVBNDRSA-N 0 0 526.460 6.849 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Br)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002757464 552178981 /nfs/dbraw/zinc/17/89/81/552178981.db2.gz PSEGBKZOETTZMQ-RNWIMVQKSA-N 0 0 542.473 6.597 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002757491 552179007 /nfs/dbraw/zinc/17/90/07/552179007.db2.gz YRQUUYHOXSNCGC-BVZFJXPGSA-N 0 0 500.422 5.935 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2coc3ccc(Cl)cc3c2=O)C2=C(CCCC2=O)N1 ZINC000002757706 552179198 /nfs/dbraw/zinc/17/91/98/552179198.db2.gz OGEMPVYFCGCLAI-VWLOTQADSA-N 0 0 505.954 5.037 50 30 biogenic KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000002757738 552179240 /nfs/dbraw/zinc/17/92/40/552179240.db2.gz FZZJGPHRKRWPML-RXFWQSSRSA-N 0 0 512.071 6.007 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002757697 552179291 /nfs/dbraw/zinc/17/92/91/552179291.db2.gz JKQYKKCDQYBEDF-RBTNQOKQSA-N 0 0 548.466 6.977 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002757889 552179680 /nfs/dbraw/zinc/17/96/80/552179680.db2.gz DXEKSZWLLQBCMR-HFJWLAOPSA-N 0 0 558.096 5.721 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002757888 552179710 /nfs/dbraw/zinc/17/97/10/552179710.db2.gz DXEKSZWLLQBCMR-QYBDOPJKSA-N 0 0 558.096 5.721 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757997 552179732 /nfs/dbraw/zinc/17/97/32/552179732.db2.gz SFCJLMDAEKOYNC-WTYVLRPYSA-N 0 0 582.911 7.631 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002758106 552180032 /nfs/dbraw/zinc/18/00/32/552180032.db2.gz QKLNHFBYNOCREW-MXBOTTGLSA-N 0 0 507.630 6.579 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002758001 552180052 /nfs/dbraw/zinc/18/00/52/552180052.db2.gz VXZHRPODTXQPFU-BCHFMIIMSA-N 0 0 506.986 6.096 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2Cl)cc1 ZINC000002758138 552180059 /nfs/dbraw/zinc/18/00/59/552180059.db2.gz OPEUNFFSXZAQKP-JHOBJCJYSA-N 0 0 528.048 6.496 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002758156 552180273 /nfs/dbraw/zinc/18/02/73/552180273.db2.gz KMWPQXBPAOYOPE-PIKZIKFNSA-N 0 0 550.493 6.695 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002758149 552180276 /nfs/dbraw/zinc/18/02/76/552180276.db2.gz VQAMBHNCYNEJJJ-ZORMNXRFSA-N 0 0 583.750 6.932 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002758188 552180311 /nfs/dbraw/zinc/18/03/11/552180311.db2.gz RVNURXVXVQTPBP-CRICUBBOSA-N 0 0 500.422 6.317 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002758209 552180316 /nfs/dbraw/zinc/18/03/16/552180316.db2.gz LXMCPZUMZWAMTA-ZNCZPGMMSA-N 0 0 521.657 6.969 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002758313 552180595 /nfs/dbraw/zinc/18/05/95/552180595.db2.gz SVCBOIXULVRIHT-IIMAJNMQSA-N 0 0 576.476 6.870 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002758823 552181018 /nfs/dbraw/zinc/18/10/18/552181018.db2.gz BWEZQHULXIRVPC-KMRXNPHXSA-N 0 0 535.662 5.278 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000002758746 552181032 /nfs/dbraw/zinc/18/10/32/552181032.db2.gz KLXIKAZLDSSTPT-OLILMLBXSA-N 0 0 575.683 5.758 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000002762175 552182693 /nfs/dbraw/zinc/18/26/93/552182693.db2.gz IUPQEXNWHXYOGR-KCWXNJEJSA-N 0 0 559.684 5.768 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000002762157 552182784 /nfs/dbraw/zinc/18/27/84/552182784.db2.gz KNATULNGRZAFND-PPHZAIPVSA-N 0 0 567.704 5.379 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000002762269 552182995 /nfs/dbraw/zinc/18/29/95/552182995.db2.gz SZOAYASSJFOTEH-HFJWLAOPSA-N 0 0 528.070 5.712 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1ccc(COc3cc(Cl)ccc3Cl)o1)CCCCCCCCCC2 ZINC000002764992 552183287 /nfs/dbraw/zinc/18/32/87/552183287.db2.gz XXOZTWUDCDVFBX-UHFFFAOYSA-N 0 0 531.505 8.570 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc(Cl)c1 ZINC000002765662 552183320 /nfs/dbraw/zinc/18/33/20/552183320.db2.gz WDEIAFJCLUUSGE-SIBVEZHUSA-N 0 0 512.071 6.007 50 30 KKEARN N#Cc1c(NC(=O)CCCCCCC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2 ZINC000002769262 552184071 /nfs/dbraw/zinc/18/40/71/552184071.db2.gz FYIHPDDHRPOHLJ-UHFFFAOYSA-N 0 0 522.740 7.009 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OC ZINC000002771777 552184486 /nfs/dbraw/zinc/18/44/86/552184486.db2.gz SHNSKOAMUYIQTO-HRFSGMKKSA-N 0 0 507.652 5.362 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1OC ZINC000002771775 552184533 /nfs/dbraw/zinc/18/45/33/552184533.db2.gz SHNSKOAMUYIQTO-DCFHFQCYSA-N 0 0 507.652 5.362 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002771791 552184542 /nfs/dbraw/zinc/18/45/42/552184542.db2.gz PDLIOELZPWTJNA-CCLHPLFOSA-N 0 0 530.602 5.640 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000002771884 552184692 /nfs/dbraw/zinc/18/46/92/552184692.db2.gz VCEZUAUWOKWQIM-NFQMXDRXSA-N 0 0 520.050 6.385 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000002771865 552184726 /nfs/dbraw/zinc/18/47/26/552184726.db2.gz AWDJKFZLZRQYAR-AYWVHJORSA-N 0 0 509.602 5.679 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002771958 552184983 /nfs/dbraw/zinc/18/49/83/552184983.db2.gz MXRKTSQDXIMWGM-CLOONOSVSA-N 0 0 510.974 5.190 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1 ZINC000002774620 552186188 /nfs/dbraw/zinc/18/61/88/552186188.db2.gz PZVNRLFAXIEVKY-IBVKSMDESA-N 0 0 512.071 6.007 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000002775349 552186448 /nfs/dbraw/zinc/18/64/48/552186448.db2.gz QHTGXKJDHVCXHJ-BTYSJIOQSA-N 0 0 503.639 6.189 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000002775405 552186506 /nfs/dbraw/zinc/18/65/06/552186506.db2.gz UWMCGBAKKJNBSY-DLLPINGYSA-N 0 0 553.655 5.860 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002775697 552186654 /nfs/dbraw/zinc/18/66/54/552186654.db2.gz SPOJOFQGLUDWLZ-CRICUBBOSA-N 0 0 546.447 5.649 50 30 KKEARN COc1ccc(Br)cc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000002775984 552186959 /nfs/dbraw/zinc/18/69/59/552186959.db2.gz VVKSDFUYTNGRBC-XMMPIXPASA-N 0 0 512.400 5.048 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000002776376 552187181 /nfs/dbraw/zinc/18/71/81/552187181.db2.gz CYSLICZRWGFRAB-GKVSMKOHSA-N 0 0 574.899 6.522 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(OC)c1OC ZINC000002776470 552187431 /nfs/dbraw/zinc/18/74/31/552187431.db2.gz XFFHRRFIWWOTIR-BCHFMIIMSA-N 0 0 526.029 5.299 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000002776580 552187440 /nfs/dbraw/zinc/18/74/40/552187440.db2.gz VLXLDFDHOQYYOH-WJOKGBTCSA-N 0 0 539.628 5.864 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000002776448 552187451 /nfs/dbraw/zinc/18/74/51/552187451.db2.gz DFKQANPMKPDSLF-VWLOTQADSA-N 0 0 513.993 5.844 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 ZINC000002776588 552187452 /nfs/dbraw/zinc/18/74/52/552187452.db2.gz RCAPHQIPWLXLDA-NLFFAJNJSA-N 0 0 510.428 5.390 50 30 KKEARN CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)c1 ZINC000002783266 552188934 /nfs/dbraw/zinc/18/89/34/552188934.db2.gz YQUPSMIIXSBSLK-LJQANCHMSA-N 0 0 554.741 7.121 50 30 KKEARN Cc1ccc(-c2cc(C(=O)Nc3scc(-c4ccc(C(C)C)cc4)c3C#N)c3ccccc3n2)cc1C ZINC000002783302 552188951 /nfs/dbraw/zinc/18/89/51/552188951.db2.gz OVSRANFBDADLPD-UHFFFAOYSA-N 0 0 501.655 8.495 50 30 KKEARN CC(C)COc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)c1 ZINC000002783265 552189001 /nfs/dbraw/zinc/18/90/01/552189001.db2.gz YQUPSMIIXSBSLK-IBGZPJMESA-N 0 0 554.741 7.121 50 30 KKEARN Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sc3c(ncn(-c4ccc5ccccc5c4)c3=O)c21 ZINC000002785046 552189893 /nfs/dbraw/zinc/18/98/93/552189893.db2.gz MMCQLNRJKWAEDV-UHFFFAOYSA-N 0 0 511.422 6.746 50 30 KKEARN Cc1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c21 ZINC000002785618 552190294 /nfs/dbraw/zinc/19/02/94/552190294.db2.gz GVCVFIOUOIWZFZ-UHFFFAOYSA-N 0 0 520.257 7.035 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(C)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002789323 552191674 /nfs/dbraw/zinc/19/16/74/552191674.db2.gz XZOBREBBDUQVLQ-UHFFFAOYSA-N 0 0 503.627 7.770 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000002792872 552191943 /nfs/dbraw/zinc/19/19/43/552191943.db2.gz AHZUBULUKXHBDN-ACSYHNTCSA-N 0 0 565.663 5.051 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000002792810 552191948 /nfs/dbraw/zinc/19/19/48/552191948.db2.gz BIYAYBIXHBZDLP-DJUQAAIZSA-N 0 0 527.592 5.818 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002801492 552194697 /nfs/dbraw/zinc/19/46/97/552194697.db2.gz QZHHTDUPWLMKRW-DCFHFQCYSA-N 0 0 510.461 7.231 50 30 KKEARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cc12 ZINC000002801893 552194933 /nfs/dbraw/zinc/19/49/33/552194933.db2.gz PYUCXCNNHIUNFJ-QGZVFWFLSA-N 0 0 512.704 6.491 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000002844236 552200168 /nfs/dbraw/zinc/20/01/68/552200168.db2.gz OUTPTHYTWLWKMT-PRAQEBQASA-N 0 0 559.615 5.419 50 30 KKEARN C(=N/c1ccc(-c2ccc(/N=C/c3ccccc3OCc3ccccc3)cc2)cc1)\c1ccccc1OCc1ccccc1 ZINC000002848849 552200642 /nfs/dbraw/zinc/20/06/42/552200642.db2.gz VMDPQTCREYVLTQ-CTQPMARESA-N 0 0 572.708 10.013 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3cccc(Cl)c3Cl)c(C)c2)ccc1/N=C/c1cccc(Cl)c1Cl ZINC000002854149 552201913 /nfs/dbraw/zinc/20/19/13/552201913.db2.gz QFWOUAPSPLUSOZ-KXJQYHRCSA-N 0 0 526.294 10.085 50 30 KKEARN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000002858807 552203204 /nfs/dbraw/zinc/20/32/04/552203204.db2.gz KQDBWPHLXBCSEK-UHFFFAOYSA-N 0 0 537.430 5.938 50 30 KKEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000002859655 552203731 /nfs/dbraw/zinc/20/37/31/552203731.db2.gz XLLTUJDLDRPYHZ-NRFANRHFSA-N 0 0 500.024 5.835 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000002860745 552203843 /nfs/dbraw/zinc/20/38/43/552203843.db2.gz WCZYJEONEBSKPF-MUUNZHRXSA-N 0 0 525.557 5.457 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(C)cc(I)cc2C)nnc1-c1ccccc1C ZINC000002860886 552204174 /nfs/dbraw/zinc/20/41/74/552204174.db2.gz MWGIKSOTGXIGEQ-UHFFFAOYSA-N 0 0 518.424 5.392 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C ZINC000002860936 552204184 /nfs/dbraw/zinc/20/41/84/552204184.db2.gz QFJISWPUCMWUNS-UHFFFAOYSA-N 0 0 518.424 5.007 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)o2)cc1OC ZINC000002861987 552204368 /nfs/dbraw/zinc/20/43/68/552204368.db2.gz VYPDCCTWWRRWGN-DFXYEROKSA-N 0 0 512.606 5.914 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1nc2c(c(CC)c1C#N)C(=O)CC(C)(C)C2 ZINC000002889146 552210612 /nfs/dbraw/zinc/21/06/12/552210612.db2.gz KJZNIEITLDKFFB-UHFFFAOYSA-N 0 0 582.147 6.960 50 30 KKEARN COc1ccc(NC(=O)CSc2nc3c(c(-c4ccc(OC)cc4)c2C#N)C(=O)CC(C)(C)C3)cc1 ZINC000002889132 552210641 /nfs/dbraw/zinc/21/06/41/552210641.db2.gz JLBDUQPUZNYHBH-UHFFFAOYSA-N 0 0 501.608 5.523 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc4c(c3)OCCO4)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002890799 552211475 /nfs/dbraw/zinc/21/14/75/552211475.db2.gz MUTCODUWYLFRRY-UHFFFAOYSA-N 0 0 514.603 5.530 50 30 KKEARN CCN1c2cc(OC)ccc2S/C1=C/C=C1\S/C(=N\c2ccc(/C=C/c3ccccc3)cc2)N(CC)C1=O ZINC000002895922 552211895 /nfs/dbraw/zinc/21/18/95/552211895.db2.gz BEHHTHNEXWGMBT-KOQPPOJRSA-N 0 0 539.726 7.806 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1 ZINC000002923148 552221935 /nfs/dbraw/zinc/22/19/35/552221935.db2.gz DKDMMELIASVPAY-PIKZIKFNSA-N 0 0 506.042 6.586 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002925205 552222793 /nfs/dbraw/zinc/22/27/93/552222793.db2.gz LFXSNJLWQWCDRC-CPJLOUKISA-N 0 0 524.957 5.292 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002925369 552223068 /nfs/dbraw/zinc/22/30/68/552223068.db2.gz PDGUIJNDEXYMIW-SKCUWOTOSA-N 0 0 535.662 5.278 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002925734 552223663 /nfs/dbraw/zinc/22/36/63/552223663.db2.gz MICVDDFWFDVODX-SOKVYYICSA-N 0 0 584.894 6.679 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002926355 552224177 /nfs/dbraw/zinc/22/41/77/552224177.db2.gz JWCPNUPUQPJQTG-NBGIEHNGSA-N 0 0 526.496 6.107 50 30 KKEARN COc1cc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC(C)=O)c(OC)c4)c(C)c3)cc2C)ccc1OC(C)=O ZINC000002937768 552227689 /nfs/dbraw/zinc/22/76/89/552227689.db2.gz SNLHAXSEWHFHDL-CQFWSYKGSA-N 0 0 564.638 7.339 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(SCc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002952872 552229977 /nfs/dbraw/zinc/22/99/77/552229977.db2.gz JWHMTAOVXRZXEF-UHFFFAOYSA-N 0 0 521.686 7.961 50 30 KKEARN C=CCN(C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000002961886 552233994 /nfs/dbraw/zinc/23/39/94/552233994.db2.gz OGZJZKFOXKGDMN-UHFFFAOYSA-N 0 0 571.724 6.182 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000002966715 552236116 /nfs/dbraw/zinc/23/61/16/552236116.db2.gz NCGSFWREYYCCRL-UHFFFAOYSA-N 0 0 565.504 7.437 50 30 KKEARN Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 ZINC000003042974 552273637 /nfs/dbraw/zinc/27/36/37/552273637.db2.gz HWQBKFOLAFHMLS-SLMZUGIISA-N 0 0 527.875 5.957 50 30 KKEARN COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1Cl ZINC000003043998 552274898 /nfs/dbraw/zinc/27/48/98/552274898.db2.gz SHKFBCOMVHYODC-HFTWOUSFSA-N 0 0 564.292 6.002 50 30 KKEARN Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1C ZINC000003044020 552274904 /nfs/dbraw/zinc/27/49/04/552274904.db2.gz ZYJYBMFHPUQAFG-SLMZUGIISA-N 0 0 527.875 5.957 50 30 KKEARN Cc1ccc(C)c(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)c1 ZINC000003044093 552275139 /nfs/dbraw/zinc/27/51/39/552275139.db2.gz UGWJJKHDDZMBEQ-IADYIPOJSA-N 0 0 545.865 6.096 50 30 KKEARN COc1cc(Cl)c(C)cc1NC(=S)N/N=C1\C(=O)N(Cc2cccc(C)c2)c2ccc(Br)cc21 ZINC000003044247 552275150 /nfs/dbraw/zinc/27/51/50/552275150.db2.gz PLWYZIFUFUICEZ-FAJYDZGRSA-N 0 0 557.901 5.965 50 30 KKEARN Cc1cccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)c1 ZINC000003044237 552275180 /nfs/dbraw/zinc/27/51/80/552275180.db2.gz FMPJSSNMQHUYHC-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN O=C(Nc1cccc(F)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000003078768 552285366 /nfs/dbraw/zinc/28/53/66/552285366.db2.gz MMFKSTVUCALUKS-UHFFFAOYSA-N 0 0 504.789 7.021 50 30 KKEARN COc1cccc(-c2nc3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3o2)c1 ZINC000003083634 552285834 /nfs/dbraw/zinc/28/58/34/552285834.db2.gz ZWFMURQHPNMBPS-OCSSWDANSA-N 0 0 527.374 7.236 50 30 KKEARN Cc1ccccc1-c1nc2cc(/N=C/c3ccc(OC(=O)c4ccc(Br)cc4)cc3)ccc2o1 ZINC000003083636 552285844 /nfs/dbraw/zinc/28/58/44/552285844.db2.gz SYSJIECKDDXNDY-OCSSWDANSA-N 0 0 511.375 7.536 50 30 KKEARN Oc1c(I)cccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000003084999 552286174 /nfs/dbraw/zinc/28/61/74/552286174.db2.gz JAWVZGZOQGFSKC-FOKLQQMPSA-N 0 0 519.136 6.318 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4oc(-c5ccc(Cl)cc5)nc4c3)cc2)c([N+](=O)[O-])c1 ZINC000003087063 552286395 /nfs/dbraw/zinc/28/63/95/552286395.db2.gz IQVFLNYJINWUMV-RWPZCVJISA-N 0 0 514.881 7.508 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000003092587 552286967 /nfs/dbraw/zinc/28/69/67/552286967.db2.gz AMRDHJWXANXOCD-BHGWPJFGSA-N 0 0 543.424 6.154 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000003094407 552287000 /nfs/dbraw/zinc/28/70/00/552287000.db2.gz NBBMVMNUIQDVOB-GDLZYMKVSA-N 0 0 515.650 6.364 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1)Nc1ccccc1 ZINC000003094793 552287165 /nfs/dbraw/zinc/28/71/65/552287165.db2.gz ZAYREUDNHCZKLY-ZMOGYAJESA-N 0 0 529.428 6.382 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000003098499 552287719 /nfs/dbraw/zinc/28/77/19/552287719.db2.gz GDJHKJCJHNZPKZ-IEWVHIKDSA-N 0 0 521.657 6.971 50 30 KKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)c(Cl)c3)c(Cl)c2)cc1 ZINC000003108549 552289301 /nfs/dbraw/zinc/28/93/01/552289301.db2.gz NJTMHQUJAVTPTD-UHFFFAOYSA-N 0 0 510.417 7.816 50 30 KKEARN Cc1cccc(C(=O)Oc2ccc(/C=N/N=C/c3ccc(OC(=O)c4cccc(C)c4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1 ZINC000003112862 552289871 /nfs/dbraw/zinc/28/98/71/552289871.db2.gz BQRGFENYVWLLLC-LTTYKRRRSA-N 0 0 566.526 6.011 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000003117196 552290685 /nfs/dbraw/zinc/29/06/85/552290685.db2.gz AYZXICUOOZLBSL-UHFFFAOYSA-N 0 0 555.498 7.981 50 30 KKEARN CCOC(=O)c1cc(C#N)c(Sc2ccccc2NC(=O)c2ccccc2C(F)(F)F)nc1C(F)(F)F ZINC000003129654 552292154 /nfs/dbraw/zinc/29/21/54/552292154.db2.gz QPWNNEDBJMWJDV-UHFFFAOYSA-N 0 0 539.457 6.571 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@@H]2c3ccc(cc3)CCc3ccc(cc3)[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003136853 552293474 /nfs/dbraw/zinc/29/34/74/552293474.db2.gz YWGAOZNWRZXSJO-LOYHVIPDSA-N 0 0 548.682 5.995 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2c3ccc(cc3)CCc3ccc(cc3)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003136854 552293522 /nfs/dbraw/zinc/29/35/22/552293522.db2.gz YWGAOZNWRZXSJO-KYJUHHDHSA-N 0 0 548.682 5.995 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1)c1cccc(Br)c1 ZINC000003139528 552294235 /nfs/dbraw/zinc/29/42/35/552294235.db2.gz MCUWEKHCKYFSID-FDAWAROLSA-N 0 0 524.370 7.192 50 30 KKEARN COc1cc(-c2ccc(/N=C/c3cc(Cl)ccc3O)c(OC)c2)ccc1/N=C/c1cc(Cl)ccc1O ZINC000003143523 552296192 /nfs/dbraw/zinc/29/61/92/552296192.db2.gz GZKVUQSKNLWQOX-IHXWQEJPSA-N 0 0 521.400 7.590 50 30 KKEARN Cc1cc(I)c(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 ZINC000003170306 552298995 /nfs/dbraw/zinc/29/89/95/552298995.db2.gz NBEUMVRRBVIQAW-MZJWZYIUSA-N 0 0 504.327 7.017 50 30 KKEARN CCCC[C@@H](CC)Cn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1cccc(Br)c1 ZINC000003169372 552299016 /nfs/dbraw/zinc/29/90/16/552299016.db2.gz BOJRGJHVBQRFQJ-QGZVFWFLSA-N 0 0 504.432 6.687 50 30 KKEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 ZINC000003187527 552301562 /nfs/dbraw/zinc/30/15/62/552301562.db2.gz XSSQFURONTUQHD-UHFFFAOYSA-N 0 0 569.668 5.111 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2Cl)ccc1Cl ZINC000003220114 552309557 /nfs/dbraw/zinc/30/95/57/552309557.db2.gz TZPSGYYUMXEYMR-UHFFFAOYSA-N 0 0 587.403 6.189 50 30 KKEARN CCCCCCCCn1c(=O)c2c(nc1SCC(=O)N1c3ccccc3C[C@@H]1C)sc1c2CC[C@@H](C)C1 ZINC000003259520 552325304 /nfs/dbraw/zinc/32/53/04/552325304.db2.gz NQJSBNKKRKSFGQ-RTWAWAEBSA-N 0 0 537.795 7.013 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1 ZINC000003261850 552326572 /nfs/dbraw/zinc/32/65/72/552326572.db2.gz WOCFBXNUMFEMEU-UHFFFAOYSA-N 0 0 510.826 6.385 50 30 KKEARN Cc1ccc(-n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000003262262 552326806 /nfs/dbraw/zinc/32/68/06/552326806.db2.gz BEDIJPHXBAUUTK-WGOQTCKBSA-N 0 0 549.527 7.522 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccccc2)c1 ZINC000003262006 552326858 /nfs/dbraw/zinc/32/68/58/552326858.db2.gz GPJVPCACXUFXCO-UHFFFAOYSA-N 0 0 517.680 5.188 50 30 KKEARN COc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)C=C2N(C)c3ccccc3C2(C)C)CCCC4)c1 ZINC000003262444 552327099 /nfs/dbraw/zinc/32/70/99/552327099.db2.gz MBTDCWPXHQHBKZ-YZSQISJMSA-N 0 0 557.741 6.307 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)nc2sc3c(c2c1=O)CCC3 ZINC000003267067 552329658 /nfs/dbraw/zinc/32/96/58/552329658.db2.gz MCQCASGPMIWFMZ-UHFFFAOYSA-N 0 0 555.678 5.518 50 30 KKEARN Cc1sc(NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)c(C#N)c1C ZINC000003267451 552330368 /nfs/dbraw/zinc/33/03/68/552330368.db2.gz AEZMYCRTDYWPIN-UHFFFAOYSA-N 0 0 542.711 6.703 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003267695 552330515 /nfs/dbraw/zinc/33/05/15/552330515.db2.gz HOEPZDRWVIHPMY-INIZCTEOSA-N 0 0 582.589 6.914 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003267820 552330557 /nfs/dbraw/zinc/33/05/57/552330557.db2.gz UOTQXNKLHDZSGF-UHFFFAOYSA-N 0 0 528.630 7.217 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1Cl ZINC000003288900 552339150 /nfs/dbraw/zinc/33/91/50/552339150.db2.gz ZXRCRQJQNMWFMJ-UHFFFAOYSA-N 0 0 536.959 6.195 50 30 KKEARN Cc1c(C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000003299326 552345427 /nfs/dbraw/zinc/34/54/27/552345427.db2.gz CWOLXDSCKBKRCU-UHFFFAOYSA-N 0 0 557.619 7.073 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)ccc1Cl ZINC000003302975 552347221 /nfs/dbraw/zinc/34/72/21/552347221.db2.gz SIJXAUZZNZEYCS-UHFFFAOYSA-N 0 0 557.455 6.204 50 30 KKEARN CC(C)Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2scc(-c3cccs3)c2c1=O ZINC000003324879 552356837 /nfs/dbraw/zinc/35/68/37/552356837.db2.gz LDFLVMYAFDECGL-UHFFFAOYSA-N 0 0 540.761 6.385 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(NC(C)=O)c2)c1 ZINC000003333932 552360534 /nfs/dbraw/zinc/36/05/34/552360534.db2.gz NNUDYBKAQFXZGN-UHFFFAOYSA-N 0 0 551.974 5.951 50 30 KKEARN CCOc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2cccc(Cl)c2)cc1 ZINC000003348174 552366022 /nfs/dbraw/zinc/36/60/22/552366022.db2.gz LDDSEPMYGRQEMF-UHFFFAOYSA-N 0 0 550.109 6.529 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3cc4ccccc4oc3=O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003358009 552369836 /nfs/dbraw/zinc/36/98/36/552369836.db2.gz RRRNXAQUQUQUDG-UHFFFAOYSA-N 0 0 550.523 5.404 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3n[nH]c4ccccc43)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003358733 552370330 /nfs/dbraw/zinc/37/03/30/552370330.db2.gz FKEBLHLTJUMUAN-UHFFFAOYSA-N 0 0 522.517 5.174 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)nnc1-c1cccc(C)c1 ZINC000003376509 552376589 /nfs/dbraw/zinc/37/65/89/552376589.db2.gz PUUOJLBYZPNLOB-UHFFFAOYSA-N 0 0 513.623 5.431 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000003404524 552380944 /nfs/dbraw/zinc/38/09/44/552380944.db2.gz RKYXZMXCZNIEFN-UHFFFAOYSA-N 0 0 573.818 6.755 50 30 KKEARN C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000003428742 552385074 /nfs/dbraw/zinc/38/50/74/552385074.db2.gz GGIGIWOGLYQESA-LJAQVGFWSA-N 0 0 547.705 7.817 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC000003431574 552385663 /nfs/dbraw/zinc/38/56/63/552385663.db2.gz KAWWHFNQGNKKKP-UHFFFAOYSA-N 0 0 574.662 5.399 50 30 KKEARN COc1cc(Cl)c(C)cc1-n1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000003456424 552389639 /nfs/dbraw/zinc/38/96/39/552389639.db2.gz HBMKHHVCHJZWME-UHFFFAOYSA-N 0 0 537.016 5.534 50 30 KKEARN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1S(=O)(=O)N/N=C/c1c(Cl)cccc1Cl ZINC000003467091 552389930 /nfs/dbraw/zinc/38/99/30/552389930.db2.gz BTQRCCDKURIQCL-LSFURLLWSA-N 0 0 523.872 5.162 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000003616487 552392697 /nfs/dbraw/zinc/39/26/97/552392697.db2.gz BMGOAMFKDMLEKO-MWTRTKDXSA-N 0 0 522.519 6.713 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000003629548 552396811 /nfs/dbraw/zinc/39/68/11/552396811.db2.gz LEMQIJMAVHQUMR-HNNXBMFYSA-N 0 0 558.029 7.405 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000003633656 552398722 /nfs/dbraw/zinc/39/87/22/552398722.db2.gz QEACVMGJIXXCDS-SSEXGKCCSA-N 0 0 539.031 7.426 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000003633743 552398749 /nfs/dbraw/zinc/39/87/49/552398749.db2.gz PKTZHFMJLXSBRN-SSEXGKCCSA-N 0 0 583.482 7.535 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1Br ZINC000003639510 552399269 /nfs/dbraw/zinc/39/92/69/552399269.db2.gz GLVSORDXEGTHNM-WTYVLRPYSA-N 0 0 584.507 5.796 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1Br ZINC000003639506 552399291 /nfs/dbraw/zinc/39/92/91/552399291.db2.gz GLVSORDXEGTHNM-PIIWDFAUSA-N 0 0 584.507 5.796 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000003639967 552399589 /nfs/dbraw/zinc/39/95/89/552399589.db2.gz CTDMWNOQPYRITM-FPTDNZKUSA-N 0 0 520.420 5.201 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000003643512 552400680 /nfs/dbraw/zinc/40/06/80/552400680.db2.gz HKRSXVGXZWDKHS-QHCPKHFHSA-N 0 0 546.601 5.448 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)nc1C ZINC000003643530 552400867 /nfs/dbraw/zinc/40/08/67/552400867.db2.gz QCHIBNVERAQRCO-LJQANCHMSA-N 0 0 537.391 5.413 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(OCCCCC)cc2)nc1C ZINC000003643582 552400874 /nfs/dbraw/zinc/40/08/74/552400874.db2.gz SLVPAPCPYPJMPI-DEOSSOPVSA-N 0 0 544.629 6.220 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000003656101 552404862 /nfs/dbraw/zinc/40/48/62/552404862.db2.gz ZSSDKUNATVWZNX-MHZLTWQESA-N 0 0 511.530 5.149 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4ccc(Br)cc4)cc3s2)cc1OC ZINC000003663594 552408082 /nfs/dbraw/zinc/40/80/82/552408082.db2.gz BARWHGVLOCCSBP-WKULSOCRSA-N 0 0 570.534 6.278 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000003664234 552408260 /nfs/dbraw/zinc/40/82/60/552408260.db2.gz JSPMCMHDTKZPNL-AMVVHIIESA-N 0 0 582.538 6.882 50 30 KKEARN COc1ccc(CSc2nc3ccc(/N=C/c4ccc(Br)cc4)cc3s2)cc1[N+](=O)[O-] ZINC000003669931 552410858 /nfs/dbraw/zinc/41/08/58/552410858.db2.gz KIJVZTSMNHEBNC-WYMPLXKRSA-N 0 0 514.426 7.019 50 30 KKEARN C=CCn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000003772330 552417743 /nfs/dbraw/zinc/41/77/43/552417743.db2.gz CMKUHBRNXIXMHI-UTAOYMJKSA-N 0 0 543.692 5.776 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003772262 552417749 /nfs/dbraw/zinc/41/77/49/552417749.db2.gz SHMLAMTVWRCOHT-KATKFWMUSA-N 0 0 568.733 8.437 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000003772480 552417900 /nfs/dbraw/zinc/41/79/00/552417900.db2.gz CQCWNWDQEVCYEO-UGDMGKLASA-N 0 0 533.499 8.474 50 30 KKEARN O=[N+]([O-])c1ccccc1/C=N/c1ccccc1OCCOCCOc1ccccc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000004015243 552426495 /nfs/dbraw/zinc/42/64/95/552426495.db2.gz XFBMKCSPOHPPDS-RWRHWQIFSA-N 0 0 554.559 6.479 50 30 KKEARN CC(C)(c1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1)c1ccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000004016330 552427265 /nfs/dbraw/zinc/42/72/65/552427265.db2.gz GHYZUEFKIJAPPP-ZCWBFZHQSA-N 0 0 718.853 12.816 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000004044988 552430529 /nfs/dbraw/zinc/43/05/29/552430529.db2.gz DGBQFEZLFSTPGS-ZXTCRCEHSA-N 0 0 682.656 8.723 50 30 KKEARN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)c4ccccc4C3=O)c2-c2ccccc2)cc1 ZINC000004064263 552431939 /nfs/dbraw/zinc/43/19/39/552431939.db2.gz ORJNUOIZSHZYJS-UHFFFAOYSA-N 0 0 523.588 7.451 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1N2 ZINC000004065512 552432093 /nfs/dbraw/zinc/43/20/93/552432093.db2.gz GPOOWCWUFJXPOT-BNHRFMORSA-N 0 0 507.033 7.899 50 30 KKEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1N2 ZINC000004065515 552432143 /nfs/dbraw/zinc/43/21/43/552432143.db2.gz GPOOWCWUFJXPOT-GPNASLBKSA-N 0 0 507.033 7.899 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000004067505 552432922 /nfs/dbraw/zinc/43/29/22/552432922.db2.gz QFFUMWYJDFGFQK-WNSKOXEYSA-N 0 0 546.845 5.741 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000004067571 552432980 /nfs/dbraw/zinc/43/29/80/552432980.db2.gz RSJRVPDBZHQCFT-NGOKVRLYSA-N 0 0 580.519 6.791 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000004067539 552432985 /nfs/dbraw/zinc/43/29/85/552432985.db2.gz VVRPZBXUEUIJSX-SYBRLPANSA-N 0 0 551.683 6.632 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000004068270 552433227 /nfs/dbraw/zinc/43/32/27/552433227.db2.gz UOFXXVJASTWENW-QABMSTFYSA-N 0 0 509.602 5.896 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C4)ccc21 ZINC000004080579 552433281 /nfs/dbraw/zinc/43/32/81/552433281.db2.gz LVJBGRNAJINNFQ-IYLMVCPTSA-N 0 0 543.667 7.811 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CC1 ZINC000004078946 552433318 /nfs/dbraw/zinc/43/33/18/552433318.db2.gz KDYMHAUHMVHDIN-JPZYQRIQSA-N 0 0 524.617 6.389 50 30 KKEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1ccccc1OCc1ccccc1)Nc1ccccc1N2 ZINC000004080470 552433357 /nfs/dbraw/zinc/43/33/57/552433357.db2.gz MPBMMLRCOQIGOS-WYOOIXGGSA-N 0 0 516.597 6.974 50 30 KKEARN CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)C1CCCCC1 ZINC000004080779 552433387 /nfs/dbraw/zinc/43/33/87/552433387.db2.gz ZBXGXCCNPHZFPI-SSEXGKCCSA-N 0 0 516.682 7.410 50 30 KKEARN CCNc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccc(OC)cc3N2C)C(=O)N1C1CCCCC1 ZINC000004081438 552433647 /nfs/dbraw/zinc/43/36/47/552433647.db2.gz IPIWNFOTCSONCV-SSEVLGFUSA-N 0 0 519.696 6.305 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000004082358 552433821 /nfs/dbraw/zinc/43/38/21/552433821.db2.gz GIVPXDGYYQXAEC-WOPWWUTRSA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(OC)c2OC)cc1OC ZINC000004082321 552433847 /nfs/dbraw/zinc/43/38/47/552433847.db2.gz VZOCSQVGRSYATM-JMQGSBJISA-N 0 0 516.594 5.709 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2c2cccc(C)c2)cc1 ZINC000004088885 552434396 /nfs/dbraw/zinc/43/43/96/552434396.db2.gz GLZWHXHAPZRZIP-GJLIXIQUSA-N 0 0 536.078 7.004 50 30 KKEARN CCN(CCNS(C)(=O)=O)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c(C)c1 ZINC000004088570 552434403 /nfs/dbraw/zinc/43/44/03/552434403.db2.gz SSLRMCDSARJVHG-KIFPJBGMSA-N 0 0 607.827 5.858 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc(Cl)cc2)N(CCc2ccccc2)C1=O ZINC000004089406 552434708 /nfs/dbraw/zinc/43/47/08/552434708.db2.gz MQCUSVYBBTXOKZ-ILRPLKKTSA-N 0 0 512.487 7.210 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\[C@@H](C)c3ccccc3)N(CCc3ccccc3)C1=O)S2 ZINC000004092338 552435910 /nfs/dbraw/zinc/43/59/10/552435910.db2.gz OMWVXHZERZQDOP-SEWDYYGWSA-N 0 0 501.677 6.342 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(F)cc2)cc1 ZINC000004106376 552436960 /nfs/dbraw/zinc/43/69/60/552436960.db2.gz NSRGUPGMMHHMQS-GJLIXIQUSA-N 0 0 535.622 6.190 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000004107028 552437133 /nfs/dbraw/zinc/43/71/33/552437133.db2.gz LIEOGSQVACQLSS-BIEDDHLVSA-N 0 0 528.659 5.550 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc3ncccc23)N(C2CCCCC2)C1=O ZINC000004108281 552437180 /nfs/dbraw/zinc/43/71/80/552437180.db2.gz ITZWSOAASSFMRW-YXDHUCFLSA-N 0 0 507.084 7.195 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112680 552438382 /nfs/dbraw/zinc/43/83/82/552438382.db2.gz IMTZAABVRCJMTN-DLLPINGYSA-N 0 0 529.677 6.722 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000004112743 552438399 /nfs/dbraw/zinc/43/83/99/552438399.db2.gz CKZDZDODDIJRTB-HFJWLAOPSA-N 0 0 576.542 6.756 50 30 KKEARN CC(C)Oc1c(I)cc(C=NNc2nc3ccccc3[nH]2)cc1I ZINC000004113173 552438714 /nfs/dbraw/zinc/43/87/14/552438714.db2.gz FWCNAFGRBQWUKZ-AWQFTUOYSA-N 0 0 546.150 5.005 50 30 KKEARN CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(O)cc2)cc1 ZINC000004124796 552441855 /nfs/dbraw/zinc/44/18/55/552441855.db2.gz WGYMHBWOQUMUFK-BZUZNSEFSA-N 0 0 532.691 6.426 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1c(F)cccc1Cl ZINC000004156722 552443426 /nfs/dbraw/zinc/44/34/26/552443426.db2.gz VZWVXKQDORTSLU-UHFFFAOYSA-N 0 0 539.043 7.467 50 30 KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccccc1Cl ZINC000004196264 552448108 /nfs/dbraw/zinc/44/81/08/552448108.db2.gz KOAXZXODVBDIOR-UXHLAJHPSA-N 0 0 521.842 7.862 50 30 KKEARN Cc1ccc(N(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004427627 552460498 /nfs/dbraw/zinc/46/04/98/552460498.db2.gz RXFOSDOXQOGXLK-BYCLXTJYSA-N 0 0 525.051 5.679 50 30 KKEARN N#C[C@@]1(c2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004531576 552463644 /nfs/dbraw/zinc/46/36/44/552463644.db2.gz LGAZEGMTAMZIJR-TXTSNRKZSA-N 0 0 658.110 8.276 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635171 552469468 /nfs/dbraw/zinc/46/94/68/552469468.db2.gz GWQFRENXMTXLSH-HHHXNRCGSA-N 0 0 543.461 6.875 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Br)cc1 ZINC000004635179 552469476 /nfs/dbraw/zinc/46/94/76/552469476.db2.gz SKUVHIXPIKSNIU-XMMPIXPASA-N 0 0 535.825 6.405 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 ZINC000004635164 552469480 /nfs/dbraw/zinc/46/94/80/552469480.db2.gz QANKBPJWWMOPAM-DEOSSOPVSA-N 0 0 535.825 6.405 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788201 552482611 /nfs/dbraw/zinc/48/26/11/552482611.db2.gz KLOOPGODGRKKKM-GZGVDWRWSA-N 0 0 595.740 6.559 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788176 552482617 /nfs/dbraw/zinc/48/26/17/552482617.db2.gz IPTMHZIJYBNUBZ-SFRLIIPVSA-N 0 0 579.741 6.859 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004788183 552482665 /nfs/dbraw/zinc/48/26/65/552482665.db2.gz IPTMHZIJYBNUBZ-OOXUFLSTSA-N 0 0 579.741 6.859 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[nH]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000004793557 552485318 /nfs/dbraw/zinc/48/53/18/552485318.db2.gz ILRDLLBGOXYRMA-FQEVSTJZSA-N 0 0 556.913 6.679 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[nH]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000004793636 552485507 /nfs/dbraw/zinc/48/55/07/552485507.db2.gz DXQRHEUNFNHHNT-HXUWFJFHSA-N 0 0 556.913 6.679 50 30 KKEARN Cc1cc(Nc2c(I)cc([N+](=O)[O-])cc2I)n2c3ccccc3nc2c1C#N ZINC000005313843 552496825 /nfs/dbraw/zinc/49/68/25/552496825.db2.gz ORSVGVOLVPYYSG-UHFFFAOYSA-N 0 0 595.138 5.529 50 30 KKEARN COc1ccc(Cl)cc1CN1CCN(c2c(Cc3ccc(Cl)cc3)c(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000005354641 552498298 /nfs/dbraw/zinc/49/82/98/552498298.db2.gz AGEXTKRPVKHJSU-UHFFFAOYSA-N 0 0 570.524 6.896 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005355921 552498986 /nfs/dbraw/zinc/49/89/86/552498986.db2.gz ZOQBXZJYODURRI-QFIPXVFZSA-N 0 0 518.635 6.017 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005356027 552499163 /nfs/dbraw/zinc/49/91/63/552499163.db2.gz OXMDWCBWIAYTSU-QFIPXVFZSA-N 0 0 518.591 5.284 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000005917880 552511611 /nfs/dbraw/zinc/51/16/11/552511611.db2.gz RIGRLGROSULFMB-HXUWFJFHSA-N 0 0 512.462 6.570 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000005918792 552511980 /nfs/dbraw/zinc/51/19/80/552511980.db2.gz SGHUHRHOFHUTDE-HMILPKGGSA-N 0 0 528.605 5.371 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc(Br)c1OC(C)C ZINC000005920885 552512678 /nfs/dbraw/zinc/51/26/78/552512678.db2.gz AFWXNDXHJUMHRJ-SANMLTNESA-N 0 0 546.465 7.157 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccccc1 ZINC000005948560 552516121 /nfs/dbraw/zinc/51/61/21/552516121.db2.gz MQWLBDSRHPVAGS-UHFFFAOYSA-N 0 0 589.732 8.195 50 30 KKEARN C/C(=N/OCC(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1C1CCCCC1)c1cccs1 ZINC000006014662 552518761 /nfs/dbraw/zinc/51/87/61/552518761.db2.gz UZWQIIZASCLXAG-VQNDASPWSA-N 0 0 522.674 7.640 50 30 KKEARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3n2Cc2ccc(C#N)cc2)c1 ZINC000006079583 552529829 /nfs/dbraw/zinc/52/98/29/552529829.db2.gz QXRKPHJJVHGZHK-HKBQPEDESA-N 0 0 591.737 5.701 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccc(C)c(C)c3)c2C#N)ccc1OCc1ccccc1 ZINC000006089759 552532661 /nfs/dbraw/zinc/53/26/61/552532661.db2.gz GFACGWWKAZEDNJ-HHHXNRCGSA-N 0 0 613.783 9.001 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(Cl)c3)c2C#N)ccc1OCc1ccccc1 ZINC000006089752 552532712 /nfs/dbraw/zinc/53/27/12/552532712.db2.gz AVRUNVIXNSQHGW-UHFFFAOYSA-N 0 0 606.147 8.649 50 30 KKEARN CCOc1cc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C)c(C)c3)c2C#N)ccc1OCc1ccccc1 ZINC000006089758 552532741 /nfs/dbraw/zinc/53/27/41/552532741.db2.gz GFACGWWKAZEDNJ-MHZLTWQESA-N 0 0 613.783 9.001 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000006090107 552533751 /nfs/dbraw/zinc/53/37/51/552533751.db2.gz VPINYWMQHVISHY-UHFFFAOYSA-N 0 0 541.676 8.084 50 30 KKEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc(OCc3ccc(Cl)cc3)cc2)Nc2nc(C)cc(C)n2)cc1 ZINC000006101659 552534580 /nfs/dbraw/zinc/53/45/80/552534580.db2.gz FQFOVNOZWQQOHP-UHFFFAOYSA-N 0 0 536.057 5.903 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000006134733 552538264 /nfs/dbraw/zinc/53/82/64/552538264.db2.gz QWSNNUBNLZDONW-UHFFFAOYSA-N 0 0 538.629 5.872 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(OC)c(OC)c3)c2C#N)c(OC)c1 ZINC000006136500 552542112 /nfs/dbraw/zinc/54/21/12/552542112.db2.gz NHVWRLMFOMKDOJ-UHFFFAOYSA-N 0 0 541.629 6.052 50 30 KKEARN C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000006142110 552543381 /nfs/dbraw/zinc/54/33/81/552543381.db2.gz YMZKYKYDGNRSLC-BQYFSVDLSA-N 0 0 508.441 6.080 50 30 KKEARN O=C1N/C(=N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000006142425 552543481 /nfs/dbraw/zinc/54/34/81/552543481.db2.gz QRRWGRPMSKYHMA-DUVZWTOYSA-N 0 0 512.340 6.436 50 30 KKEARN O=C1N/C(=N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000006142427 552543509 /nfs/dbraw/zinc/54/35/09/552543509.db2.gz CSBFAOUFRCUMCL-NPAZAKLCSA-N 0 0 511.447 6.148 50 30 KKEARN CCOc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143595 552545227 /nfs/dbraw/zinc/54/52/27/552545227.db2.gz COBZFNCIXXTLHW-JOCHJYFZSA-N 0 0 522.070 6.315 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2C#N)cc1 ZINC000006177297 552560033 /nfs/dbraw/zinc/56/00/33/552560033.db2.gz DWWFQVVRMZFENN-LJQANCHMSA-N 0 0 550.709 7.085 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(Cl)c3C)n2)cc1 ZINC000006177653 552560406 /nfs/dbraw/zinc/56/04/06/552560406.db2.gz CSDARBNWTZOFKH-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000006246502 552575297 /nfs/dbraw/zinc/57/52/97/552575297.db2.gz DWNFYGXRNBUECW-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@@H]2c2ccccc2Cl)cc1 ZINC000006289633 552578853 /nfs/dbraw/zinc/57/88/53/552578853.db2.gz JKFZVNAGYLWBEU-ICACTRECSA-N 0 0 553.033 7.702 50 30 KKEARN COc1ccc(CCNC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1OC ZINC000006424936 552584231 /nfs/dbraw/zinc/58/42/31/552584231.db2.gz NVHDEVOXTRTAMM-UHFFFAOYSA-N 0 0 507.559 5.169 50 30 KKEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000006444495 552586932 /nfs/dbraw/zinc/58/69/32/552586932.db2.gz CKZSMHQBZNCLHS-PMERELPUSA-N 0 0 506.646 6.817 50 30 KKEARN O=[N+]([O-])c1cccc(CN=Nc2nc(Nc3cccc4ccccc43)nc(N(c3ccccc3)c3ccccc3)n2)c1 ZINC000006446507 552589377 /nfs/dbraw/zinc/58/93/77/552589377.db2.gz QGVCFJCFJFRLBI-STKMKYKTSA-N 0 0 552.598 7.592 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000006459991 552590174 /nfs/dbraw/zinc/59/01/74/552590174.db2.gz AXCFTEFLILHMEZ-KEEVHDRGSA-N 0 0 589.088 6.380 50 30 KKEARN Clc1ccc(COc2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)cc1 ZINC000006473817 552592021 /nfs/dbraw/zinc/59/20/21/552592021.db2.gz APIXMWUKEGDWLO-ZCTHSVRISA-N 0 0 522.012 7.037 50 30 KKEARN 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/nfs/dbraw/zinc/01/49/67/553014967.db2.gz WSDVIACABPECES-NTDMNLGMSA-N 0 0 651.395 7.224 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000008425203 553015055 /nfs/dbraw/zinc/01/50/55/553015055.db2.gz WSDVIACABPECES-KPHNHAPKSA-N 0 0 651.395 7.224 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426313 553018043 /nfs/dbraw/zinc/01/80/43/553018043.db2.gz BXYLRQYFQPPSFG-QZAUEMONSA-N 0 0 684.715 9.838 50 30 KKEARN CCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426275 553018062 /nfs/dbraw/zinc/01/80/62/553018062.db2.gz PLCCMPTUWWOGAQ-UVFUEVNMSA-N 0 0 614.580 7.887 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1Cl ZINC000008426393 553018440 /nfs/dbraw/zinc/01/84/40/553018440.db2.gz ANPRVURRGGSACO-FQEVSTJZSA-N 0 0 512.462 6.570 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c(Br)c1 ZINC000008426505 553018592 /nfs/dbraw/zinc/01/85/92/553018592.db2.gz SKUSMMDGXHMWDA-UHFFFAOYSA-N 0 0 514.448 7.089 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1I ZINC000008427306 553019568 /nfs/dbraw/zinc/01/95/68/553019568.db2.gz ZOKAUQKYUPMLGC-SDHSZQHLSA-N 0 0 527.365 5.575 50 30 KKEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCCCCCCC)cc3C2=O)cc1 ZINC000008427197 553019632 /nfs/dbraw/zinc/01/96/32/553019632.db2.gz CHEVZOGXMDAICL-UHFFFAOYSA-N 0 0 507.627 6.742 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc3ccccc3n2)cc1 ZINC000008427526 553020115 /nfs/dbraw/zinc/02/01/15/553020115.db2.gz RJBNLKOTFOUXMI-HOYUZMNJSA-N 0 0 524.664 8.634 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5ccc(Br)cc5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000008430181 553021033 /nfs/dbraw/zinc/02/10/33/553021033.db2.gz CQDWCEUNSPCRRV-OAHLLOKOSA-N 0 0 602.480 7.514 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc(OC)c1OC ZINC000008430245 553021353 /nfs/dbraw/zinc/02/13/53/553021353.db2.gz JCAWTDKBEGFSND-WVDZOPJMSA-N 0 0 595.490 6.472 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000008430403 553021523 /nfs/dbraw/zinc/02/15/23/553021523.db2.gz ZEUSCDACFHHCSM-ADSBAMQRSA-N 0 0 530.621 6.099 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000008431442 553023252 /nfs/dbraw/zinc/02/32/52/553023252.db2.gz RHIDUAXFOVPNGG-GDLZYMKVSA-N 0 0 506.577 6.795 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccc(I)c1 ZINC000008432103 553025121 /nfs/dbraw/zinc/02/51/21/553025121.db2.gz VJOVNQYQNOQWFB-MUUNZHRXSA-N 0 0 562.451 6.677 50 30 KKEARN CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008432098 553025168 /nfs/dbraw/zinc/02/51/68/553025168.db2.gz LHELGHRABIDSDF-JGCGQSQUSA-N 0 0 508.662 7.251 50 30 KKEARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000008432564 553026381 /nfs/dbraw/zinc/02/63/81/553026381.db2.gz WQBSKFUPMBFVFT-SANMLTNESA-N 0 0 598.640 6.040 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000008432785 553027118 /nfs/dbraw/zinc/02/71/18/553027118.db2.gz YHNFRTMKFSESIF-WTYVLRPYSA-N 0 0 586.576 8.466 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008432781 553027173 /nfs/dbraw/zinc/02/71/73/553027173.db2.gz QFAMGRNVYIOMRZ-WKRVVKTRSA-N 0 0 546.633 8.314 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008433082 553028030 /nfs/dbraw/zinc/02/80/30/553028030.db2.gz OXHAKRSVPWRXSM-APYJYERMSA-N 0 0 587.478 8.356 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008433085 553028051 /nfs/dbraw/zinc/02/80/51/553028051.db2.gz MLBISLNNBTVRAL-QYBDOPJKSA-N 0 0 560.494 7.177 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008433080 553028054 /nfs/dbraw/zinc/02/80/54/553028054.db2.gz OXHAKRSVPWRXSM-GHRAFVERSA-N 0 0 587.478 8.356 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008433248 553028177 /nfs/dbraw/zinc/02/81/77/553028177.db2.gz CPGNKBXILRHJNY-HSZRJFAPSA-N 0 0 548.661 6.026 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC=C)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008433350 553028881 /nfs/dbraw/zinc/02/88/81/553028881.db2.gz HGAYHCAGYQRFGE-DEOSSOPVSA-N 0 0 560.628 5.459 50 30 KKEARN Cc1ccc2cc(/C=C/C(=O)c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)c(Cl)nc2c1 ZINC000008437390 553031761 /nfs/dbraw/zinc/03/17/61/553031761.db2.gz MZFRNIQTCZDKBU-FMIVXFBMSA-N 0 0 529.821 7.364 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000008437731 553031986 /nfs/dbraw/zinc/03/19/86/553031986.db2.gz COJDTLNCQROXRO-SSDVNMTOSA-N 0 0 657.395 6.273 50 30 KKEARN C#CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(C)=O)=C(c2ccccc2)N=3)cc1OCC ZINC000008437730 553031987 /nfs/dbraw/zinc/03/19/87/553031987.db2.gz YEVPGNCIZARDBR-FWESEHMYSA-N 0 0 613.533 5.135 50 30 KKEARN CCOC(=O)C1=NN(c2ccccc2)/C(=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)S1 ZINC000008438072 553032793 /nfs/dbraw/zinc/03/27/93/553032793.db2.gz VOZJDNSORRPDCP-VKURBUPNSA-N 0 0 500.605 5.753 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000008438091 553032845 /nfs/dbraw/zinc/03/28/45/553032845.db2.gz RECZMGDFCRJGTK-HSUOJCLFSA-N 0 0 561.688 5.101 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000008440114 553036761 /nfs/dbraw/zinc/03/67/61/553036761.db2.gz SEDHYIFVHXUKLC-GKVSMKOHSA-N 0 0 590.898 5.758 50 30 biogenic,in-vitro KKEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008440190 553036911 /nfs/dbraw/zinc/03/69/11/553036911.db2.gz XCLJLAKIWYGNLN-UGDMGKLASA-N 0 0 536.031 6.995 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c1C#N)CCCC2 ZINC000008440215 553037022 /nfs/dbraw/zinc/03/70/22/553037022.db2.gz LSVKUTPNCRVAPX-UHFFFAOYSA-N 0 0 588.154 7.788 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000008440316 553037265 /nfs/dbraw/zinc/03/72/65/553037265.db2.gz FFXQAOYDWOTTMC-WHLCRQNOSA-N 0 0 574.475 5.862 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000008440440 553037713 /nfs/dbraw/zinc/03/77/13/553037713.db2.gz BYCIUHPFWULOPR-YUMBNEEOSA-N 0 0 656.661 9.058 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000008440718 553038332 /nfs/dbraw/zinc/03/83/32/553038332.db2.gz BYXSVDKDONZYMY-DWACAAAGSA-N 0 0 505.611 5.035 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000008440934 553039014 /nfs/dbraw/zinc/03/90/14/553039014.db2.gz QYCIBPCTVFHBBU-MUUNZHRXSA-N 0 0 591.502 5.329 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008441059 553039221 /nfs/dbraw/zinc/03/92/21/553039221.db2.gz IPYRJRNPYBSGED-RUZDIDTESA-N 0 0 531.077 7.593 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000008441336 553040456 /nfs/dbraw/zinc/04/04/56/553040456.db2.gz XIYWIFUSVKTZRF-UHFFFAOYSA-N 0 0 519.548 7.045 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000008441575 553041219 /nfs/dbraw/zinc/04/12/19/553041219.db2.gz MIBIHBPXAFUHKK-NDEPHWFRSA-N 0 0 523.541 5.408 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(F)cc2Cl)c(C)s1 ZINC000008441655 553041547 /nfs/dbraw/zinc/04/15/47/553041547.db2.gz XXBRNBCKXNPGMG-DEOSSOPVSA-N 0 0 504.023 6.205 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441703 553041878 /nfs/dbraw/zinc/04/18/78/553041878.db2.gz UKUZAPUKTXGZKI-SANMLTNESA-N 0 0 508.599 7.005 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)nc2c(C)c1 ZINC000008441729 553041916 /nfs/dbraw/zinc/04/19/16/553041916.db2.gz JPFCTPPHBKNVHY-SANMLTNESA-N 0 0 523.614 6.508 50 30 KKEARN CCc1sc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 ZINC000008441842 553042686 /nfs/dbraw/zinc/04/26/86/553042686.db2.gz UAFXIKWUZGPBBL-XMMPIXPASA-N 0 0 516.457 5.793 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@]3(O)CCCC[C@H]3SCc3ccccc3)c2C#N)cc1 ZINC000008442346 553043339 /nfs/dbraw/zinc/04/33/39/553043339.db2.gz SUUQYJLQKAZHPC-ZQWAWDFXSA-N 0 0 536.766 8.295 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)nc(SC[C@@]3(O)CCCC[C@@H]3SCc3ccccc3)c2C#N)cc1 ZINC000008442344 553043380 /nfs/dbraw/zinc/04/33/80/553043380.db2.gz SUUQYJLQKAZHPC-WEZIJMHWSA-N 0 0 536.766 8.295 50 30 KKEARN C=CCc1c(C)nc(SCc2c(C(=O)OCC)c3cc(O)c(Br)cc3n2C)c(C#N)c1C ZINC000008442765 553044364 /nfs/dbraw/zinc/04/43/64/553044364.db2.gz CQJMHLRTWWYFDN-UHFFFAOYSA-N 0 0 514.445 5.727 50 30 KKEARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(Oc4ccccc4)c3)sc2=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000008443202 553045605 /nfs/dbraw/zinc/04/56/05/553045605.db2.gz FZMPGKILGGPPJO-FDQYQRRYSA-N 0 0 613.695 5.485 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(N3CCOCC3)n2)cc1Cl ZINC000008443195 553045614 /nfs/dbraw/zinc/04/56/14/553045614.db2.gz ABMGHUREUSIAGS-NSKAYECMSA-N 0 0 770.595 5.537 50 30 KKEARN CCCOc1cc(Cl)c(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000008443585 553047016 /nfs/dbraw/zinc/04/70/16/553047016.db2.gz ALVLIHYMTUIBEC-UHFFFAOYSA-N 0 0 627.019 8.790 50 30 KKEARN CCOc1cc(/C=C2\CC/C(=C\c3ccc(OC4CCCC4)c(OCC)c3)C2=O)ccc1OC1CCCC1 ZINC000008443632 553047215 /nfs/dbraw/zinc/04/72/15/553047215.db2.gz FTJKDHUDUBJXGO-FQHZWJPGSA-N 0 0 516.678 7.957 50 30 KKEARN CCCC[C@H](CC)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000008443998 553048900 /nfs/dbraw/zinc/04/89/00/553048900.db2.gz SRLSLNUPEKAHCA-WKRVVKTRSA-N 0 0 532.725 7.843 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccccc1OCCC ZINC000008444096 553048986 /nfs/dbraw/zinc/04/89/86/553048986.db2.gz YRAMIVRCEXKZOZ-XKWLHOGNSA-N 0 0 552.715 7.965 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)nc3)sc2C1 ZINC000008444044 553049053 /nfs/dbraw/zinc/04/90/53/553049053.db2.gz UNFAFXYORJLELF-UXHICEINSA-N 0 0 599.826 7.755 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)nc3)sc2C1 ZINC000008444042 553049056 /nfs/dbraw/zinc/04/90/56/553049056.db2.gz UNFAFXYORJLELF-WOJBJXKFSA-N 0 0 599.826 7.755 50 30 KKEARN CCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444106 553049295 /nfs/dbraw/zinc/04/92/95/553049295.db2.gz KUHFNBIQGOQYCS-CVYDZTKKSA-N 0 0 542.679 8.080 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008444367 553050190 /nfs/dbraw/zinc/05/01/90/553050190.db2.gz BHWOUSAPMNWZHY-PMERELPUSA-N 0 0 533.584 7.312 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000008444437 553050334 /nfs/dbraw/zinc/05/03/34/553050334.db2.gz NKNTXUAWJIGWJT-CXNHSUMOSA-N 0 0 565.758 8.022 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000008444539 553050825 /nfs/dbraw/zinc/05/08/25/553050825.db2.gz LHVCUCBFYKJEEH-IPBJYNAHSA-N 0 0 508.637 7.434 50 30 KKEARN CC[C@H]1CCc2c(C#N)c(N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)sc2C1 ZINC000008444630 553051059 /nfs/dbraw/zinc/05/10/59/553051059.db2.gz GHPJDJVJNGRXQL-HNNXBMFYSA-N 0 0 644.432 6.244 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000008444864 553052155 /nfs/dbraw/zinc/05/21/55/553052155.db2.gz YDCDBTVYPJKZDG-SELCLYCASA-N 0 0 624.832 6.141 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000008444878 553052237 /nfs/dbraw/zinc/05/22/37/553052237.db2.gz HQCOPNNCNJLXAW-KAEGSSFASA-N 0 0 646.596 6.679 50 30 KKEARN CCCCOc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccccc3)C2)cc1 ZINC000008445035 553052876 /nfs/dbraw/zinc/05/28/76/553052876.db2.gz TVAGVIVWGNMFHJ-JADSYQMUSA-N 0 0 542.679 8.080 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008445110 553053110 /nfs/dbraw/zinc/05/31/10/553053110.db2.gz WDTNHCDLAXJEON-FLASPHMUSA-N 0 0 569.658 7.093 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3)C2)cc1 ZINC000008445124 553053417 /nfs/dbraw/zinc/05/34/17/553053417.db2.gz NXXUVXLZWLKZGY-KPURRNSFSA-N 0 0 534.578 7.328 50 30 KKEARN CO[C@]12C=C[C@H](CC1)C1=C2C(=O)c2c(OC(=O)c3ccccc3)ccc(OC(=O)c3ccccc3)c2C1=O ZINC000008445516 553054526 /nfs/dbraw/zinc/05/45/26/553054526.db2.gz QILOZYVFJUKCDA-WTPASJBYSA-N 0 0 506.510 5.166 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008445683 553054707 /nfs/dbraw/zinc/05/47/07/553054707.db2.gz IHFWDPOOPHKHCU-UXHLAJHPSA-N 0 0 593.560 6.422 50 30 KKEARN CCc1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000008445807 553054873 /nfs/dbraw/zinc/05/48/73/553054873.db2.gz GOQZPUOWNMCUCX-UHFFFAOYSA-N 0 0 514.050 7.242 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000008445773 553054892 /nfs/dbraw/zinc/05/48/92/553054892.db2.gz KPARMIUNDZHEKF-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000008445791 553054910 /nfs/dbraw/zinc/05/49/10/553054910.db2.gz GHVIAUVTHDPOFZ-UHFFFAOYSA-N 0 0 500.023 7.070 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3c(C)cc(C)cc3C)c2C#N)cc1 ZINC000008446051 553055314 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553057008 /nfs/dbraw/zinc/05/70/08/553057008.db2.gz CDXYFTGUDIKVGD-LBPRGKRZSA-N 0 0 780.143 9.859 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCCC3)C2=O)c2ccccc21)NCc1ccco1 ZINC000008450477 553058303 /nfs/dbraw/zinc/05/83/03/553058303.db2.gz CMFKIRAQJSJADC-HMSWDNDHSA-N 0 0 552.700 6.878 50 30 KKEARN COc1ccc(/N=C2/S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000008450457 553058309 /nfs/dbraw/zinc/05/83/09/553058309.db2.gz AHLWMSDPRIBPEF-OQWAEUQUSA-N 0 0 558.704 5.445 50 30 KKEARN CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)S/C1=N\c1ccc(Cl)c(Cl)c1 ZINC000008450498 553058344 /nfs/dbraw/zinc/05/83/44/553058344.db2.gz GEEAWWVXGGIZKW-YVTMOVKXSA-N 0 0 571.327 7.993 50 30 KKEARN CCOc1ccc(/N=C2/S/C(=C\c3cn(CC(N)=O)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000008450425 553058358 /nfs/dbraw/zinc/05/83/58/553058358.db2.gz VWFXTPZTPVLOKZ-FZVXQAMESA-N 0 0 502.640 5.462 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=N)S1 ZINC000008450594 553058727 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SCFQJIVMKVKEDE-UHFFFAOYSA-N 0 0 508.509 7.084 50 30 KKEARN N#Cc1c(S[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000008648815 553107300 /nfs/dbraw/zinc/10/73/00/553107300.db2.gz FHJFRUULPWSHKY-QFIPXVFZSA-N 0 0 598.886 9.133 50 30 KKEARN CCOc1ccc(NC(=NCc2ccc3c(c2)OCO3)S[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000008690313 553117427 /nfs/dbraw/zinc/11/74/27/553117427.db2.gz MYVJHZSNQHDWSO-SANMLTNESA-N 0 0 547.633 5.055 50 30 aggregator KKEARN O[C@H](COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000008691984 553118003 /nfs/dbraw/zinc/11/80/03/553118003.db2.gz GOTDNKUZEAZGFO-LBPRGKRZSA-N 0 0 524.235 6.650 50 30 KKEARN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008694725 553120423 /nfs/dbraw/zinc/12/04/23/553120423.db2.gz VNYCKRZGZJBOJG-VWLOTQADSA-N 0 0 558.432 5.338 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008694748 553120610 /nfs/dbraw/zinc/12/06/10/553120610.db2.gz PAJMTIZBFBPDNX-ALQBTCKLSA-N 0 0 600.510 8.089 50 30 KKEARN Cc1ccc(C(NCCc2c[nH]c3ccccc23)=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008695159 553120975 /nfs/dbraw/zinc/12/09/75/553120975.db2.gz VHMBVQNFOOUDAC-LLZINOMRSA-N 0 0 540.623 6.324 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccc(F)cc23)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695166 553121159 /nfs/dbraw/zinc/12/11/59/553121159.db2.gz MAWRLJRHYOMKGC-BBTNWVSFSA-N 0 0 579.031 6.808 50 30 KKEARN CCCCc1ccc2[nH]cc(CCNC(c3ccc(F)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695169 553121163 /nfs/dbraw/zinc/12/11/63/553121163.db2.gz CORUNWYWBYEOHH-RSHGFABKSA-N 0 0 600.694 7.498 50 30 KKEARN CCCCc1ccc2[nH]cc(CCNC(c3ccc(OC)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695174 553121170 /nfs/dbraw/zinc/12/11/70/553121170.db2.gz HIVWDSHKUXCHLY-ICKFRXAFSA-N 0 0 612.730 7.367 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000008695574 553122208 /nfs/dbraw/zinc/12/22/08/553122208.db2.gz CQCWNWDQEVCYEO-WKRVVKTRSA-N 0 0 533.499 8.474 50 30 KKEARN CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1C#N ZINC000008722221 553129965 /nfs/dbraw/zinc/12/99/65/553129965.db2.gz RTCBAGAHQZREHX-AFUMVMLFSA-N 0 0 515.547 5.681 50 30 KKEARN COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000008743997 553133905 /nfs/dbraw/zinc/13/39/05/553133905.db2.gz LSYABCVXXSIWDC-CVJKAFSHSA-N 0 0 509.480 5.905 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCC)C2=O)cc1C ZINC000008743726 553133989 /nfs/dbraw/zinc/13/39/89/553133989.db2.gz CQXRVQJHAYWPLF-BWAHOGKJSA-N 0 0 503.693 6.804 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008743955 553134016 /nfs/dbraw/zinc/13/40/16/553134016.db2.gz IYNFESMRPQIHDU-QFIPXVFZSA-N 0 0 506.605 5.720 50 30 KKEARN COc1ccc(C=CC(=O)N=C(NCCc2c[nH]c3ccc(Cl)cc23)Nc2nc(C)cc(C)n2)cc1 ZINC000008758711 553137267 /nfs/dbraw/zinc/13/72/67/553137267.db2.gz RHIGKFSUGZCJJR-IZZDOVSWSA-N 0 0 503.006 5.077 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008767945 553139965 /nfs/dbraw/zinc/13/99/65/553139965.db2.gz ZYSVDVFAWZLEJE-HRFSGMKKSA-N 0 0 506.524 6.467 50 30 KKEARN CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000008781239 553144564 /nfs/dbraw/zinc/14/45/64/553144564.db2.gz OLFSKASIILWHJR-AREMUKBSSA-N 0 0 506.440 7.319 50 30 KKEARN N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000008809657 553148027 /nfs/dbraw/zinc/14/80/27/553148027.db2.gz XXFKLXHFZIIYFN-UHFFFAOYSA-N 0 0 500.598 8.068 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000008816938 553152357 /nfs/dbraw/zinc/15/23/57/553152357.db2.gz BMGAMNLRLQNUGN-QFIPXVFZSA-N 0 0 504.539 5.544 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000008817820 553153158 /nfs/dbraw/zinc/15/31/58/553153158.db2.gz GTUFXHOWUDRJAJ-OAQYLSRUSA-N 0 0 506.580 5.118 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008827791 553157032 /nfs/dbraw/zinc/15/70/32/553157032.db2.gz OPISNMIFGMJUIH-QHCPKHFHSA-N 0 0 520.994 6.058 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845801 553165701 /nfs/dbraw/zinc/16/57/01/553165701.db2.gz QVLMGPHPSVYOLO-FYSMJZIKSA-N 0 0 519.623 5.378 50 30 KKEARN O=C1C[C@@H]2c3ccccc3CCN2C(=O)C1=CNc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000008855435 553167263 /nfs/dbraw/zinc/16/72/63/553167263.db2.gz MPHAROUPOPYWJJ-VOSMRYOYSA-N 0 0 513.903 5.941 50 30 KKEARN O=C1C[C@H]2c3ccccc3CCN2C(=O)C1=CNc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000008855436 553167268 /nfs/dbraw/zinc/16/72/68/553167268.db2.gz MPHAROUPOPYWJJ-FGGAIWKESA-N 0 0 513.903 5.941 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000008867491 553170799 /nfs/dbraw/zinc/17/07/99/553170799.db2.gz DDBZUWZJBAIAJY-ZCTHSVRISA-N 0 0 508.578 7.440 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccccc3I)nc(Nc3ccccc3)n2)cc1 ZINC000008872697 553173790 /nfs/dbraw/zinc/17/37/90/553173790.db2.gz IFNCYQKRNBWSTP-ZVHZXABRSA-N 0 0 552.336 5.318 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Br)cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872778 553174041 /nfs/dbraw/zinc/17/40/41/553174041.db2.gz WFWWXAWJMFOTPN-NTFVMDSBSA-N 0 0 571.395 6.736 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4Cl)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872783 553174157 /nfs/dbraw/zinc/17/41/57/553174157.db2.gz HGCSGQMCSVCUEO-BVMLUPFRSA-N 0 0 589.443 7.897 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872785 553174185 /nfs/dbraw/zinc/17/41/85/553174185.db2.gz XIVIGPAMTUYQAB-UHBFCERESA-N 0 0 554.998 7.243 50 30 KKEARN COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(NC(=O)Nc3ccc(F)cc3F)n2)cc1 ZINC000008873001 553174594 /nfs/dbraw/zinc/17/45/94/553174594.db2.gz WCTMGNJEGRPSFV-XKJRVUDJSA-N 0 0 516.335 6.670 50 30 KKEARN O=C(Nc1nc(-c2ccc(F)cc2)cn1/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Cl ZINC000008873004 553174609 /nfs/dbraw/zinc/17/46/09/553174609.db2.gz SOFXLQHKIIHDKO-KVSWJAHQSA-N 0 0 502.764 7.176 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894191 553177587 /nfs/dbraw/zinc/17/75/87/553177587.db2.gz BZWBXBPTOBMTNV-QHCPKHFHSA-N 0 0 515.547 5.558 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008895102 553178209 /nfs/dbraw/zinc/17/82/09/553178209.db2.gz JNDGNYPSUAOIFY-OAQYLSRUSA-N 0 0 506.580 5.118 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896844 553179151 /nfs/dbraw/zinc/17/91/51/553179151.db2.gz NVIVMTPKUDCKQU-VWLOTQADSA-N 0 0 516.594 6.568 50 30 KKEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008899589 553180798 /nfs/dbraw/zinc/18/07/98/553180798.db2.gz BYGMPYGHBDTNNG-HSZRJFAPSA-N 0 0 505.368 5.187 50 30 KKEARN Cc1cccc(C)c1OCCn1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc21 ZINC000008914380 553185728 /nfs/dbraw/zinc/18/57/28/553185728.db2.gz DXYNJHGPNGBMAW-AJBULDERSA-N 0 0 524.673 5.169 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008915059 553186036 /nfs/dbraw/zinc/18/60/36/553186036.db2.gz FSOSTARUBPDHAL-HSZRJFAPSA-N 0 0 502.661 7.001 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl ZINC000008916396 553186592 /nfs/dbraw/zinc/18/65/92/553186592.db2.gz DGBNNMDNKOMCBQ-MHZLTWQESA-N 0 0 520.069 7.741 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc(OCc3ccccc3)c1)N2 ZINC000008916823 553186860 /nfs/dbraw/zinc/18/68/60/553186860.db2.gz PPBBRFOJPVXANM-YTTGMZPUSA-N 0 0 500.598 7.082 50 30 KKEARN Brc1cc2c(cc1CN=Nc1nc(Nc3ccccc3)nc(Nc3ccccc3)n1)OCO2 ZINC000008935103 553193201 /nfs/dbraw/zinc/19/32/01/553193201.db2.gz IFEXWOKKENPIQB-DHRITJCHSA-N 0 0 504.348 5.296 50 30 KKEARN CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951401 553193518 /nfs/dbraw/zinc/19/35/18/553193518.db2.gz KLBVCVMYMUURMQ-SZMVHAFZSA-N 0 0 512.488 5.755 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008973651 553195141 /nfs/dbraw/zinc/19/51/41/553195141.db2.gz AAMZJVAGQQDSGI-DEOSSOPVSA-N 0 0 502.567 6.316 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)cc1 ZINC000008974742 553195779 /nfs/dbraw/zinc/19/57/79/553195779.db2.gz FCNYOEBCQTUPDS-PMERELPUSA-N 0 0 518.613 6.665 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008980575 553196029 /nfs/dbraw/zinc/19/60/29/553196029.db2.gz CPDHYVVDKJGWPZ-XMMPIXPASA-N 0 0 518.566 5.852 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000008984851 553196406 /nfs/dbraw/zinc/19/64/06/553196406.db2.gz KVVRYFBNEFHCHB-WTYVLRPYSA-N 0 0 522.041 6.292 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000008996429 553197153 /nfs/dbraw/zinc/19/71/53/553197153.db2.gz YHAIFBPUVNAOHU-NDEPHWFRSA-N 0 0 530.621 5.755 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000008996851 553197494 /nfs/dbraw/zinc/19/74/94/553197494.db2.gz HBYIJYAPFUSFEK-NDEPHWFRSA-N 0 0 506.558 6.051 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009007675 553198321 /nfs/dbraw/zinc/19/83/21/553198321.db2.gz KFIIWIHHXHTYFE-QFIPXVFZSA-N 0 0 504.564 5.615 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000009008014 553198533 /nfs/dbraw/zinc/19/85/33/553198533.db2.gz PJCFIYHXZYCJCG-QHCPKHFHSA-N 0 0 516.575 5.413 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1O ZINC000009010200 553199741 /nfs/dbraw/zinc/19/97/41/553199741.db2.gz BDIROGJSONMMGD-WXTAPIANSA-N 0 0 526.029 5.766 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009019000 553200788 /nfs/dbraw/zinc/20/07/88/553200788.db2.gz MHKQWMZHLPKYJF-UKJJDJLKSA-N 0 0 522.645 6.954 50 30 KKEARN CC1C/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000009019744 553201135 /nfs/dbraw/zinc/20/11/35/553201135.db2.gz SMZGUAOTRSBMQW-LPFJTETCSA-N 0 0 510.502 7.489 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000009041328 553202296 /nfs/dbraw/zinc/20/22/96/553202296.db2.gz DZAGCZWOVSFLMW-XCZPVHLTSA-N 0 0 517.423 6.821 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009041397 553202300 /nfs/dbraw/zinc/20/23/00/553202300.db2.gz RBXDWDHNBWUNEH-HSZRJFAPSA-N 0 0 502.548 5.105 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009043392 553202931 /nfs/dbraw/zinc/20/29/31/553202931.db2.gz VFJPFTHRPIAHPP-QHCPKHFHSA-N 0 0 514.409 5.647 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000009057826 553204895 /nfs/dbraw/zinc/20/48/95/553204895.db2.gz TXDKRWZQCFVRSL-NSYGIPOTSA-N 0 0 514.906 6.942 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000009059101 553204923 /nfs/dbraw/zinc/20/49/23/553204923.db2.gz VECBMELOEXSNLQ-WRONEBCDSA-N 0 0 513.550 5.533 50 30 KKEARN C=CCNC(=S)N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009066162 553206096 /nfs/dbraw/zinc/20/60/96/553206096.db2.gz YSULNXSOKOMLHL-MTDXEUNCSA-N 0 0 516.505 5.939 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067291 553206390 /nfs/dbraw/zinc/20/63/90/553206390.db2.gz UIKMQHMIKDCUPA-FQEVSTJZSA-N 0 0 525.026 5.972 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009068348 553206672 /nfs/dbraw/zinc/20/66/72/553206672.db2.gz GHSHMRXUEMOWLA-VWLOTQADSA-N 0 0 514.603 6.220 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069589 553206869 /nfs/dbraw/zinc/20/68/69/553206869.db2.gz MPXFXPNBAOBRDB-JOCHJYFZSA-N 0 0 506.605 5.938 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000009086035 553208337 /nfs/dbraw/zinc/20/83/37/553208337.db2.gz LRSFLGOEPFAOSG-XMMPIXPASA-N 0 0 521.411 5.718 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009086150 553208341 /nfs/dbraw/zinc/20/83/41/553208341.db2.gz BPFKNOXVJLGZAP-SANMLTNESA-N 0 0 502.567 5.060 50 30 KKEARN Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3ccc(-c4ccc(Br)cc4)o3)cc2)o1 ZINC000009087834 553208701 /nfs/dbraw/zinc/20/87/01/553208701.db2.gz JSWDCNJIFGWJAN-OCSSWDANSA-N 0 0 500.392 8.443 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000009108856 553209632 /nfs/dbraw/zinc/20/96/32/553209632.db2.gz PQSFKKNPAJDAOW-ZNZIZOMTSA-N 0 0 510.391 5.742 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000009108857 553209718 /nfs/dbraw/zinc/20/97/18/553209718.db2.gz PQSFKKNPAJDAOW-CYXNTTPDSA-N 0 0 510.391 5.742 50 30 KKEARN CCOc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000009128592 553213064 /nfs/dbraw/zinc/21/30/64/553213064.db2.gz DAUXJMOKLQBHNS-JOCHJYFZSA-N 0 0 503.639 6.141 50 30 biogenic KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124626 553213066 /nfs/dbraw/zinc/21/30/66/553213066.db2.gz IYVQHWRGNQWVKH-OSPHWJPCSA-N 0 0 504.608 5.674 50 30 KKEARN CCOc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCCCO5)cc1OCC ZINC000009129284 553213270 /nfs/dbraw/zinc/21/32/70/553213270.db2.gz NUDAHHJWBXUUBI-HSZRJFAPSA-N 0 0 515.650 6.285 50 30 KKEARN COc1ccc(N2CCN(c3oc(-c4ccc(OCc5ccc(Cl)cc5)cc4)nc3C#N)CC2)cc1 ZINC000009161463 553215686 /nfs/dbraw/zinc/21/56/86/553215686.db2.gz DCCDKPCBGQGNDX-UHFFFAOYSA-N 0 0 500.986 5.781 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009175794 553216039 /nfs/dbraw/zinc/21/60/39/553216039.db2.gz VFJPFTHRPIAHPP-HSZRJFAPSA-N 0 0 514.409 5.647 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000009177807 553216314 /nfs/dbraw/zinc/21/63/14/553216314.db2.gz INRCZOCNDPHKGP-NRFANRHFSA-N 0 0 505.393 6.150 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000009177660 553216364 /nfs/dbraw/zinc/21/63/64/553216364.db2.gz ZHKKDMWXGICBHY-RUZDIDTESA-N 0 0 501.539 5.256 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178025 553216604 /nfs/dbraw/zinc/21/66/04/553216604.db2.gz CWARXXXRFHGMBP-QFIPXVFZSA-N 0 0 509.414 7.003 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000009186512 553217720 /nfs/dbraw/zinc/21/77/20/553217720.db2.gz JQZXNDXCYSIMNS-DEOSSOPVSA-N 0 0 502.567 6.234 50 30 KKEARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(C#Cc3ccccc3)cc3cc(-c4ccccc4)oc32)cc1 ZINC000009189882 553218323 /nfs/dbraw/zinc/21/83/23/553218323.db2.gz KZCJNUHJGBGGGI-UHFFFAOYSA-N 0 0 520.610 5.120 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009192426 553218781 /nfs/dbraw/zinc/21/87/81/553218781.db2.gz JATOBWCHCMJEGX-SANMLTNESA-N 0 0 502.567 5.056 50 30 KKEARN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000009236144 553225633 /nfs/dbraw/zinc/22/56/33/553225633.db2.gz MCJYNPGEUMLRLF-XKZIYDEJSA-N 0 0 501.829 7.410 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccccc1 ZINC000009246876 553227411 /nfs/dbraw/zinc/22/74/11/553227411.db2.gz IPKBSTCQWZZFAB-NJZRLIGZSA-N 0 0 508.674 5.610 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Nc1ccc(C)cc1 ZINC000009264339 553229072 /nfs/dbraw/zinc/22/90/72/553229072.db2.gz CWWQEVCDBWGAEL-ROTAYESASA-N 0 0 519.601 7.203 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000009264309 553229079 /nfs/dbraw/zinc/22/90/79/553229079.db2.gz SFAWVCRWIQADHX-WRGVRERRSA-N 0 0 525.004 7.156 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000009264311 553229092 /nfs/dbraw/zinc/22/90/92/553229092.db2.gz SFAWVCRWIQADHX-KEEVHDRGSA-N 0 0 525.004 7.156 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000009270934 553230438 /nfs/dbraw/zinc/23/04/38/553230438.db2.gz NERHQMWLRVKWAK-QFIPXVFZSA-N 0 0 520.607 5.291 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009271311 553230629 /nfs/dbraw/zinc/23/06/29/553230629.db2.gz DDGHXCFBELOQJP-VWLOTQADSA-N 0 0 514.603 6.185 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009271310 553230780 /nfs/dbraw/zinc/23/07/80/553230780.db2.gz DDGHXCFBELOQJP-RUZDIDTESA-N 0 0 514.603 6.185 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009272385 553231747 /nfs/dbraw/zinc/23/17/47/553231747.db2.gz ZGQZRMSPKSEZQJ-QHCPKHFHSA-N 0 0 523.427 6.641 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(N(C)C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000009273111 553232261 /nfs/dbraw/zinc/23/22/61/553232261.db2.gz WNSNAVRIAZQGCH-NVIJWRNBSA-N 0 0 512.009 5.340 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000009274335 553232440 /nfs/dbraw/zinc/23/24/40/553232440.db2.gz YPBSFVLXOAKXBR-XMMPIXPASA-N 0 0 502.567 6.234 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292225 553234813 /nfs/dbraw/zinc/23/48/13/553234813.db2.gz IXMSPMNVOYHCLU-MYYSRTQBSA-N 0 0 516.619 5.884 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292777 553235136 /nfs/dbraw/zinc/23/51/36/553235136.db2.gz ZFKZQAFBBAFMGH-HMILPKGGSA-N 0 0 528.605 5.371 50 30 KKEARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000009295674 553235647 /nfs/dbraw/zinc/23/56/47/553235647.db2.gz RDCTYZJYBMHNMY-QFEZKATASA-N 0 0 504.995 6.426 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)SC1=S ZINC000009296432 553235828 /nfs/dbraw/zinc/23/58/28/553235828.db2.gz ZOAPSEKUIBCEIC-WSDLNYQXSA-N 0 0 507.508 6.806 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009302000 553236171 /nfs/dbraw/zinc/23/61/71/553236171.db2.gz APMGVAISEQQVLA-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000009302150 553236396 /nfs/dbraw/zinc/23/63/96/553236396.db2.gz MIVODXLOWUNYJA-DEOSSOPVSA-N 0 0 500.620 6.895 50 30 KKEARN COc1ccc(CCNc2c(Cc3ccccc3Cl)c(C)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000009308351 553237383 /nfs/dbraw/zinc/23/73/83/553237383.db2.gz NTIABXOSSVPVLP-UHFFFAOYSA-N 0 0 511.025 6.584 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000009308390 553237460 /nfs/dbraw/zinc/23/74/60/553237460.db2.gz ZKTUMIJZXSOPHO-UHFFFAOYSA-N 0 0 521.431 6.200 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009308824 553237716 /nfs/dbraw/zinc/23/77/16/553237716.db2.gz AUPDNFBQXZWBKL-PIIWDFAUSA-N 0 0 537.653 5.593 50 30 KKEARN COCCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000009311580 553239669 /nfs/dbraw/zinc/23/96/69/553239669.db2.gz FMQOZTAZIUUOHL-KMCQGPATSA-N 0 0 505.571 5.094 50 30 KKEARN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000009311834 553239977 /nfs/dbraw/zinc/23/99/77/553239977.db2.gz SSFSCLWSYYZNTI-WKULSOCRSA-N 0 0 509.393 7.334 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009312106 553240049 /nfs/dbraw/zinc/24/00/49/553240049.db2.gz XLOQOPKCXREUEG-WRONEBCDSA-N 0 0 527.617 5.976 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000009312550 553240481 /nfs/dbraw/zinc/24/04/81/553240481.db2.gz ZMAOLLWTTOFNOK-HMILPKGGSA-N 0 0 513.590 5.238 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009328948 553242002 /nfs/dbraw/zinc/24/20/02/553242002.db2.gz AJWUGSWPBSUULJ-HMILPKGGSA-N 0 0 531.605 5.959 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F ZINC000009339696 553243685 /nfs/dbraw/zinc/24/36/85/553243685.db2.gz OYKGXOQCPBIROO-LJQANCHMSA-N 0 0 507.456 5.173 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000009348267 553244634 /nfs/dbraw/zinc/24/46/34/553244634.db2.gz RGKQVHCJKLLLJQ-MSXFZWOLSA-N 0 0 513.446 7.089 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009350589 553245321 /nfs/dbraw/zinc/24/53/21/553245321.db2.gz GBMCEOGDLLQHRF-IVCQMTBJSA-N 0 0 512.587 5.720 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(O)cc1 ZINC000009354187 553245729 /nfs/dbraw/zinc/24/57/29/553245729.db2.gz GFLDJKGHCIPUFS-DFXXOVSGSA-N 0 0 514.622 5.043 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009353970 553245781 /nfs/dbraw/zinc/24/57/81/553245781.db2.gz CQTBWVBAGCULNB-VOIUYBSRSA-N 0 0 504.380 5.551 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000009354474 553245992 /nfs/dbraw/zinc/24/59/92/553245992.db2.gz WKVXBMVLYYIAKU-MYUZEXMDSA-N 0 0 515.562 5.345 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009354354 553246008 /nfs/dbraw/zinc/24/60/08/553246008.db2.gz RSBVPKHOVNRWSP-WRONEBCDSA-N 0 0 525.601 5.752 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009356798 553246752 /nfs/dbraw/zinc/24/67/52/553246752.db2.gz DVVKRWWMIPPKHP-UTONBFNKSA-N 0 0 513.641 6.967 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358860 553247714 /nfs/dbraw/zinc/24/77/14/553247714.db2.gz MKOUKGYIZSGCJS-MHZLTWQESA-N 0 0 510.546 5.744 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009359180 553247968 /nfs/dbraw/zinc/24/79/68/553247968.db2.gz MNOHKPKIHOKOJW-PIIWDFAUSA-N 0 0 512.606 5.608 50 30 KKEARN O=c1c2c3c(sc2nc(N/N=C/c2ccc(F)cc2)n1C1CCCCC1)CN(Cc1ccccc1)CC3 ZINC000009360162 553248322 /nfs/dbraw/zinc/24/83/22/553248322.db2.gz NRUYFEFMVYPQLV-KBVAKVRCSA-N 0 0 515.658 6.107 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009373774 553250462 /nfs/dbraw/zinc/25/04/62/553250462.db2.gz KWLIMVNNCLKXJE-VWLOTQADSA-N 0 0 514.603 6.049 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009380431 553251751 /nfs/dbraw/zinc/25/17/51/553251751.db2.gz XEBIEVWRYVPJLF-QHCPKHFHSA-N 0 0 508.416 5.438 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009412494 553257652 /nfs/dbraw/zinc/25/76/52/553257652.db2.gz ZHAVJIRSPJDGBY-FATZIPQQSA-N 0 0 518.616 5.863 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009424246 553258464 /nfs/dbraw/zinc/25/84/64/553258464.db2.gz UMNGOQDPDCPEEE-ONOMSOESSA-N 0 0 511.618 6.010 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009424116 553258501 /nfs/dbraw/zinc/25/85/01/553258501.db2.gz FCPMNAMXJJEXKP-DEOSSOPVSA-N 0 0 514.559 5.173 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009424245 553258518 /nfs/dbraw/zinc/25/85/18/553258518.db2.gz UMNGOQDPDCPEEE-LGGPFLRQSA-N 0 0 511.618 6.010 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425079 553258998 /nfs/dbraw/zinc/25/89/98/553258998.db2.gz FYFYHCNKNOAVND-MHZLTWQESA-N 0 0 514.578 5.200 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000009425317 553259352 /nfs/dbraw/zinc/25/93/52/553259352.db2.gz KHVKMDWIYIRUER-LJAQVGFWSA-N 0 0 509.719 7.998 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009427483 553259821 /nfs/dbraw/zinc/25/98/21/553259821.db2.gz UPNKLMYBXKPODX-DFXYEROKSA-N 0 0 524.617 6.023 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccccc3)S/C2=N\c2ccccc2F)cc1OC ZINC000009428421 553260387 /nfs/dbraw/zinc/26/03/87/553260387.db2.gz PSNHNKSILFGKLJ-IOYDYCAWSA-N 0 0 507.587 5.046 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000009434889 553264063 /nfs/dbraw/zinc/26/40/63/553264063.db2.gz YVBQQIOZDOUOJG-QXNWPYRLSA-N 0 0 515.569 6.805 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc(F)c(Oc3ccccc3)c1)N2 ZINC000009435189 553264072 /nfs/dbraw/zinc/26/40/72/553264072.db2.gz FABFMDSWQYJSTL-HKBQPEDESA-N 0 0 504.561 7.435 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009436672 553264497 /nfs/dbraw/zinc/26/44/97/553264497.db2.gz LAKRLJVDSJJIMM-MUUNZHRXSA-N 0 0 513.590 5.661 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000009461204 553267337 /nfs/dbraw/zinc/26/73/37/553267337.db2.gz SVPDCLCOMVHTGB-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN CCCC[C@H]1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000009462143 553268112 /nfs/dbraw/zinc/26/81/12/553268112.db2.gz ZQQDXVNIFYOVEW-XTDYFLGJSA-N 0 0 524.484 6.635 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009463493 553269128 /nfs/dbraw/zinc/26/91/28/553269128.db2.gz DFQVZYIGCAHYBZ-PMERELPUSA-N 0 0 518.613 6.310 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009463551 553269183 /nfs/dbraw/zinc/26/91/83/553269183.db2.gz ARQHVLPKOQRZIF-MUUNZHRXSA-N 0 0 513.590 5.805 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009463978 553269316 /nfs/dbraw/zinc/26/93/16/553269316.db2.gz KEFQSGHBHPCFTH-UZTOHYMASA-N 0 0 501.579 5.951 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000009507352 553275942 /nfs/dbraw/zinc/27/59/42/553275942.db2.gz ULCBZGDXNQSJGS-GDLZYMKVSA-N 0 0 504.586 6.056 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009507417 553275989 /nfs/dbraw/zinc/27/59/89/553275989.db2.gz HARGPBPRGKWQTP-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(F)c3)C2)cc1 ZINC000009510940 553276332 /nfs/dbraw/zinc/27/63/32/553276332.db2.gz PXFLDFFHZYJPMO-NLGDKJDOSA-N 0 0 502.589 7.349 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc(C)o2)cc1OC ZINC000009553625 553278494 /nfs/dbraw/zinc/27/84/94/553278494.db2.gz NNBHOEVKDHOCJE-AFJIDDCJSA-N 0 0 505.611 5.843 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)c5ccc(Cl)cc5)n42)COC(C)(C)C3)cc1 ZINC000009581011 553282042 /nfs/dbraw/zinc/28/20/42/553282042.db2.gz ZTFRFNWHFOQXSA-UHFFFAOYSA-N 0 0 518.042 6.133 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1OC ZINC000009584254 553282659 /nfs/dbraw/zinc/28/26/59/553282659.db2.gz CCQQQVYWTOHCIE-QSRXLDFZSA-N 0 0 523.549 5.074 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2sc3c(c2c1=O)CCCC3 ZINC000009591043 553283207 /nfs/dbraw/zinc/28/32/07/553283207.db2.gz WANWQEXXRWMTKL-UHFFFAOYSA-N 0 0 509.682 5.081 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cccc(C)c2)cc1OC ZINC000009598296 553284313 /nfs/dbraw/zinc/28/43/13/553284313.db2.gz MTVWEYWXOQBVCU-XJFCNFDWSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000009598328 553284487 /nfs/dbraw/zinc/28/44/87/553284487.db2.gz CJPRHNWQOPZIKK-RCRUUEGKSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1 ZINC000009598326 553284516 /nfs/dbraw/zinc/28/45/16/553284516.db2.gz ZSDUNDDPPFVOEA-YKGWIAGDSA-N 0 0 524.617 5.713 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccsc2)cc1OC ZINC000009599412 553285506 /nfs/dbraw/zinc/28/55/06/553285506.db2.gz ITWIHCVXYVAJDI-RBTNQOKQSA-N 0 0 514.647 6.074 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009600693 553286078 /nfs/dbraw/zinc/28/60/78/553286078.db2.gz DUWXINULTZKLJP-RBISFHTESA-N 0 0 505.680 6.133 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009600899 553286232 /nfs/dbraw/zinc/28/62/32/553286232.db2.gz QAOJFZPIPYFCHI-QFIPXVFZSA-N 0 0 506.967 5.750 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1cccc(C)c1 ZINC000009601508 553286815 /nfs/dbraw/zinc/28/68/15/553286815.db2.gz OKSNPBILRXCMRL-UHFFFAOYSA-N 0 0 528.645 7.013 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608879 553287743 /nfs/dbraw/zinc/28/77/43/553287743.db2.gz ZLHUVOVVWICFGW-NRFANRHFSA-N 0 0 508.043 5.925 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)N2 ZINC000009679046 553295733 /nfs/dbraw/zinc/29/57/33/553295733.db2.gz MMDJCGGJGJRQCI-WBBHLRKXSA-N 0 0 505.017 7.551 50 30 KKEARN CC(C)(C)c1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc(C(C)(C)C)c1O ZINC000009678929 553295745 /nfs/dbraw/zinc/29/57/45/553295745.db2.gz OTKXGLFDIDVGKX-SSEXGKCCSA-N 0 0 522.689 7.804 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000009730737 553302121 /nfs/dbraw/zinc/30/21/21/553302121.db2.gz CUWGFIROEAJKRQ-MHZLTWQESA-N 0 0 513.590 5.457 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2coc3ccc(C)cc3c2=O)cc1 ZINC000009730738 553302145 /nfs/dbraw/zinc/30/21/45/553302145.db2.gz CUWGFIROEAJKRQ-HHHXNRCGSA-N 0 0 513.590 5.457 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000009762445 553303028 /nfs/dbraw/zinc/30/30/28/553303028.db2.gz GCTRFGZJWZOCRQ-SQVRLAAPSA-N 0 0 512.006 5.691 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000009762447 553303042 /nfs/dbraw/zinc/30/30/42/553303042.db2.gz GCTRFGZJWZOCRQ-PCKLGSBKSA-N 0 0 512.006 5.691 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009763600 553303448 /nfs/dbraw/zinc/30/34/48/553303448.db2.gz LJFHJJRJPHLXNR-WNMDNWPKSA-N 0 0 510.015 5.518 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000009775634 553304444 /nfs/dbraw/zinc/30/44/44/553304444.db2.gz PACFZRBSZAPJOD-UHFFFAOYSA-N 0 0 500.491 7.945 50 30 KKEARN CCOC(=O)c1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccccc3C)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009775663 553304450 /nfs/dbraw/zinc/30/44/50/553304450.db2.gz DASXSNFAABCKFA-UHFFFAOYSA-N 0 0 511.662 7.062 50 30 KKEARN CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OC)C2=C1CC(C)(C)CC2=O ZINC000009775661 553304459 /nfs/dbraw/zinc/30/44/59/553304459.db2.gz FXDDZZFJIZZKCX-UHFFFAOYSA-N 0 0 528.531 7.334 50 30 KKEARN CCOc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(C(=O)OC)cc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009775654 553304462 /nfs/dbraw/zinc/30/44/62/553304462.db2.gz QLZRMDBCTJTWBW-UHFFFAOYSA-N 0 0 527.661 6.762 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(F)c1 ZINC000009777473 553306722 /nfs/dbraw/zinc/30/67/22/553306722.db2.gz QVGFQEUWTWRRJZ-UHFFFAOYSA-N 0 0 512.452 8.023 50 30 KKEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009780992 553307831 /nfs/dbraw/zinc/30/78/31/553307831.db2.gz UESDYIBDTQYSNL-HSZRJFAPSA-N 0 0 504.631 6.024 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000009782800 553308202 /nfs/dbraw/zinc/30/82/02/553308202.db2.gz ZENAOUNQRLDCLJ-HKBQPEDESA-N 0 0 512.024 8.521 50 30 KKEARN CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009846429 553311835 /nfs/dbraw/zinc/31/18/35/553311835.db2.gz IVUYRNYZIVMRMR-BOCMNYHMSA-N 0 0 501.933 6.258 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2cccc(OC)c2OC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000009907635 553316010 /nfs/dbraw/zinc/31/60/10/553316010.db2.gz DUJSRYFOMYCNSA-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942575 553319708 /nfs/dbraw/zinc/31/97/08/553319708.db2.gz RNWINXWOUAGMCH-NRFANRHFSA-N 0 0 508.043 5.925 50 30 KKEARN Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)cc2)c(Cl)c1 ZINC000009949392 553320333 /nfs/dbraw/zinc/32/03/33/553320333.db2.gz DIPOBFIPMADKFY-IHXWQEJPSA-N 0 0 514.239 9.594 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1OC ZINC000009968657 553321691 /nfs/dbraw/zinc/32/16/91/553321691.db2.gz CNGZIZNNVJIDBZ-JYYJXNPCSA-N 0 0 515.404 5.087 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc(Br)c1OC ZINC000009968666 553321698 /nfs/dbraw/zinc/32/16/98/553321698.db2.gz MVMJZIUPTJWKTH-XOJPMGEXSA-N 0 0 515.404 5.087 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982721 553323434 /nfs/dbraw/zinc/32/34/34/553323434.db2.gz FTPAWFQNQPMYFF-RXFWQSSRSA-N 0 0 500.689 6.779 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982796 553323455 /nfs/dbraw/zinc/32/34/55/553323455.db2.gz AYEVZBSKBOIINL-UQBPGWFLSA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009983322 553323591 /nfs/dbraw/zinc/32/35/91/553323591.db2.gz ZVHIJYWMACXCML-NIYFSFCBSA-N 0 0 518.679 6.918 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[S@](=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000009993087 553323775 /nfs/dbraw/zinc/32/37/75/553323775.db2.gz RAICWJVBZOLUQI-UMSFTDKQSA-N 0 0 505.064 6.948 50 30 KKEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009993923 553324441 /nfs/dbraw/zinc/32/44/41/553324441.db2.gz QMIOODYBGIHBCD-XMMPIXPASA-N 0 0 521.411 5.720 50 30 KKEARN Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(Br)cc1 ZINC000011617481 553339938 /nfs/dbraw/zinc/33/99/38/553339938.db2.gz SAQLNSWYAPSBKZ-NTEUORMPSA-N 0 0 507.225 7.631 50 30 KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Br)cc2)C3=O)cc(OC)c1OC ZINC000011869559 553348219 /nfs/dbraw/zinc/34/82/19/553348219.db2.gz YKFNPNOWORUGET-JMIUGGIZSA-N 0 0 511.324 5.310 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccccc3C)C4=O)c2c1 ZINC000011869419 553348242 /nfs/dbraw/zinc/34/82/42/553348242.db2.gz XJYGZXATJRATAF-RHANQZHGSA-N 0 0 516.549 7.642 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000012193722 553353894 /nfs/dbraw/zinc/35/38/94/553353894.db2.gz JZGWQSIZYPBNHV-IXCJQBJRSA-N 0 0 519.439 7.045 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000012193752 553353925 /nfs/dbraw/zinc/35/39/25/553353925.db2.gz BBCQSHKNVAHLDY-YIXXDRMTSA-N 0 0 521.411 6.273 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000012285363 553356556 /nfs/dbraw/zinc/35/65/56/553356556.db2.gz KMYVNIRAPYPYIF-RACUQHKRSA-N 0 0 508.058 6.832 50 30 KKEARN CCOC(=O)c1c(/N=C/Nc2sc3c(c2C(=O)OCC)CC(C)(C)OC3)sc2c1CC(C)(C)OC2 ZINC000012320996 553358317 /nfs/dbraw/zinc/35/83/17/553358317.db2.gz XGXRLPGYANZKIC-UHFFFAOYSA-N 0 0 520.673 5.638 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349671 553359082 /nfs/dbraw/zinc/35/90/82/553359082.db2.gz QXDHAUGNBWOYKZ-UGDMGKLASA-N 0 0 523.654 7.303 50 30 KKEARN Cc1sc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1 ZINC000012372418 553360885 /nfs/dbraw/zinc/36/08/85/553360885.db2.gz AUIIZLJHYBBTRF-JOCHJYFZSA-N 0 0 523.709 5.389 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000012402694 553362804 /nfs/dbraw/zinc/36/28/04/553362804.db2.gz ROXODKDINPOFMP-GDLZYMKVSA-N 0 0 526.599 6.006 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1cccc(Cl)c1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000012402188 553362819 /nfs/dbraw/zinc/36/28/19/553362819.db2.gz QJLSRDXWKMYLOM-DEOSSOPVSA-N 0 0 508.899 5.196 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1 ZINC000012402701 553362986 /nfs/dbraw/zinc/36/29/86/553362986.db2.gz FUITXBRHYPMTKH-MHZLTWQESA-N 0 0 510.487 5.098 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000012411755 553363537 /nfs/dbraw/zinc/36/35/37/553363537.db2.gz HJLYAAVAPLNEFT-PPHZAIPVSA-N 0 0 502.611 6.286 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000012413057 553364274 /nfs/dbraw/zinc/36/42/74/553364274.db2.gz PBBRGZRGOTWYMG-UZINWLIJSA-N 0 0 516.575 5.367 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000012416322 553364847 /nfs/dbraw/zinc/36/48/47/553364847.db2.gz HURGMZSYIWUCRO-QUGAMOGWSA-N 0 0 502.567 5.616 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000012416293 553364905 /nfs/dbraw/zinc/36/49/05/553364905.db2.gz OEHQGUJVKCXWJR-MRDQGFSESA-N 0 0 504.583 5.602 50 30 KKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4F)CC3)C2=O)cc1Br ZINC000012462181 553367086 /nfs/dbraw/zinc/36/70/86/553367086.db2.gz OQVLQWVAYDLUSA-GNVQSUKOSA-N 0 0 507.407 5.144 50 30 KKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1Br ZINC000012462178 553367092 /nfs/dbraw/zinc/36/70/92/553367092.db2.gz CUVAMYGNWSQCQL-IKPAITLHSA-N 0 0 502.456 6.137 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)N(Cc1ccccc1)C(C)C ZINC000012530925 553386147 /nfs/dbraw/zinc/38/61/47/553386147.db2.gz KWTYMYSYIQDDGE-UHFFFAOYSA-N 0 0 512.679 6.239 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c1 ZINC000012555779 553393585 /nfs/dbraw/zinc/39/35/85/553393585.db2.gz ORVTWTKPQMMNJW-UHFFFAOYSA-N 0 0 513.015 5.134 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCC(NC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC2)c1 ZINC000012562970 553395340 /nfs/dbraw/zinc/39/53/40/553395340.db2.gz XYZCMUFZZQRATR-UHFFFAOYSA-N 0 0 516.730 6.833 50 30 KKEARN Cc1cc2ccccn2c1C(=O)c1ccc(NN=C2C(=O)Nc3c2cc(Cl)cc3Cl)c([N+](=O)[O-])c1 ZINC000012563605 553395872 /nfs/dbraw/zinc/39/58/72/553395872.db2.gz MSWWODIFFYLRRJ-UHFFFAOYSA-N 0 0 508.321 5.462 50 30 KKEARN Cc1ccsc1[C@H]1c2c(C)nn(-c3cc(C(F)(F)F)ccc3Cl)c2NC2=C1C(=O)CC(C)(C)C2 ZINC000012583680 553399493 /nfs/dbraw/zinc/39/94/93/553399493.db2.gz DAXWIKGNPGHCBC-NRFANRHFSA-N 0 0 505.993 7.423 50 30 KKEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000012618406 553403146 /nfs/dbraw/zinc/40/31/46/553403146.db2.gz JPVDOAFFENZMJZ-UHFFFAOYSA-N 0 0 504.553 5.585 50 30 KKEARN O=C(NCc1ccco1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652326 553409992 /nfs/dbraw/zinc/40/99/92/553409992.db2.gz VYTDSNHQXABWSQ-WHLCRQNOSA-N 0 0 513.981 6.810 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000012652384 553410001 /nfs/dbraw/zinc/41/00/01/553410001.db2.gz CPOJYNXPCLRADE-UVDDSOTQSA-N 0 0 504.586 6.811 50 30 KKEARN CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1C#N ZINC000012653425 553410107 /nfs/dbraw/zinc/41/01/07/553410107.db2.gz MANPYBORMKHNOQ-UHFFFAOYSA-N 0 0 502.015 5.832 50 30 KKEARN COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@@]54C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000012658654 553411145 /nfs/dbraw/zinc/41/11/45/553411145.db2.gz WLYQWRSVIUXFMI-ORVUGBJLSA-N 0 0 524.742 6.992 50 30 biogenic KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(OC)c3)C4=O)c2c1 ZINC000012662395 553412629 /nfs/dbraw/zinc/41/26/29/553412629.db2.gz NGHXZWXHJQNLIA-NTFVMDSBSA-N 0 0 518.521 6.952 50 30 biogenic KKEARN COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4sc5c(c4C#N)CCCC5)sc3n2)c1 ZINC000012951652 553428733 /nfs/dbraw/zinc/42/87/33/553428733.db2.gz JAETUGVILPJEGO-UHFFFAOYSA-N 0 0 558.607 6.646 50 30 KKEARN Cc1c(/C(=N\OC(=O)c2ccccc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000012953562 553429197 /nfs/dbraw/zinc/42/91/97/553429197.db2.gz RRSRCEAIDVASNM-WGPBWIAQSA-N 0 0 544.526 6.119 50 30 KKEARN Cn1nc(-c2ccccc2)c(/C=N/OCc2cccc(Cl)c2Cl)c1Sc1ccc(Br)cc1 ZINC000012955737 553429557 /nfs/dbraw/zinc/42/95/57/553429557.db2.gz WTILKFKMRYKMBP-CCVNUDIWSA-N 0 0 547.305 7.858 50 30 KKEARN O=C1[C@@H](/C=N\OCc2ccc(Cl)cc2)CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1/C=N/OCc1ccc(Cl)cc1 ZINC000012957722 553429919 /nfs/dbraw/zinc/42/99/19/553429919.db2.gz XQFUTZSIYAKFMJ-NYDVNWBRSA-N 0 0 555.418 5.928 50 30 KKEARN FC(F)(F)c1cnc(/C(=N/N=C(\c2ccccc2)c2ncc(C(F)(F)F)cc2Cl)c2ccccc2)c(Cl)c1 ZINC000012959324 553430286 /nfs/dbraw/zinc/43/02/86/553430286.db2.gz VLAWKOUEXVHGNI-DITNJDIQSA-N 0 0 567.320 8.111 50 30 KKEARN N#CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013003309 553432036 /nfs/dbraw/zinc/43/20/36/553432036.db2.gz UEDGPCYBIRXVNU-JOCHJYFZSA-N 0 0 515.875 5.748 50 30 KKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013098446 553447212 /nfs/dbraw/zinc/44/72/12/553447212.db2.gz UPZDFMYBMQMHFJ-UHFFFAOYSA-N 0 0 503.565 5.562 50 30 KKEARN N#Cc1c(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)oc(-c2ccccc2)c1-c1ccccc1 ZINC000013134612 553452281 /nfs/dbraw/zinc/45/22/81/553452281.db2.gz QADDSCPNIKDDCW-UHFFFAOYSA-N 0 0 502.559 6.036 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl ZINC000013137407 553453155 /nfs/dbraw/zinc/45/31/55/553453155.db2.gz KCALBLPVLMDOCR-UHFFFAOYSA-N 0 0 517.050 6.241 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc4ccccc4c3)N(c3ccc(C)cc3)C1=O)S2 ZINC000013285765 553457587 /nfs/dbraw/zinc/45/75/87/553457587.db2.gz WRFHCWWUSHGJEN-GROPNIIDSA-N 0 0 509.656 7.336 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3ccc(C)cc3)cc2s1 ZINC000013285666 553457592 /nfs/dbraw/zinc/45/75/92/553457592.db2.gz RTXQLPWWVVPFKW-CNPBBGJZSA-N 0 0 500.674 7.092 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3ccc(C)cc3)ccc2s1 ZINC000013285665 553457607 /nfs/dbraw/zinc/45/76/07/553457607.db2.gz VSDHEKJYXYXHNN-CNPBBGJZSA-N 0 0 500.674 7.092 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ccccc43)N(c3cccc(C)c3)C1=O)S2 ZINC000013286307 553457818 /nfs/dbraw/zinc/45/78/18/553457818.db2.gz FNASFEVZILAFSO-GROPNIIDSA-N 0 0 509.656 7.336 50 30 KKEARN COc1ccc([C@H]2c3c(N)c(C(=O)Nc4cc(C)cc(C)c4)sc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013513879 553468068 /nfs/dbraw/zinc/46/80/68/553468068.db2.gz ZWLYGAADEGAWRP-HSZRJFAPSA-N 0 0 531.678 6.417 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000013549063 553469885 /nfs/dbraw/zinc/46/98/85/553469885.db2.gz LUNUNBZLAKMUTE-XMMPIXPASA-N 0 0 500.576 5.659 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013550611 553470262 /nfs/dbraw/zinc/47/02/62/553470262.db2.gz LOTCVAQTTUVMAP-HSZRJFAPSA-N 0 0 504.633 6.492 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1C ZINC000013549448 553470272 /nfs/dbraw/zinc/47/02/72/553470272.db2.gz GCACQWFNOIDTGX-VWLOTQADSA-N 0 0 514.603 6.022 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000013551269 553470467 /nfs/dbraw/zinc/47/04/67/553470467.db2.gz OOUPVPAJAIXGKK-NRFANRHFSA-N 0 0 506.580 5.037 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569211 553473589 /nfs/dbraw/zinc/47/35/89/553473589.db2.gz MZWBTXCFOAYNIM-XMMPIXPASA-N 0 0 502.592 6.332 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569585 553473670 /nfs/dbraw/zinc/47/36/70/553473670.db2.gz AJKZJHIFQTXSHY-JOCHJYFZSA-N 0 0 504.564 5.560 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000013570373 553473688 /nfs/dbraw/zinc/47/36/88/553473688.db2.gz HDPWQUIQAOTCAU-VWLOTQADSA-N 0 0 501.539 5.256 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)CCCCC5)cc2)cc1 ZINC000013574224 553474697 /nfs/dbraw/zinc/47/46/97/553474697.db2.gz BCPUWSPPOKAQTQ-LICLKQGHSA-N 0 0 509.675 7.419 50 30 KKEARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000013578790 553475415 /nfs/dbraw/zinc/47/54/15/553475415.db2.gz LWJSQQQTZCUTFT-UHFFFAOYSA-N 0 0 506.531 6.427 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000013659894 553480635 /nfs/dbraw/zinc/48/06/35/553480635.db2.gz IGPRLKJQYXRSTM-DQHMDIJASA-N 0 0 505.571 5.163 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000013686250 553485353 /nfs/dbraw/zinc/48/53/53/553485353.db2.gz JFAQMEJPGPCHQW-DXWCKFLSSA-N 0 0 503.624 5.645 50 30 KKEARN COc1ccc(-c2csc(C3=C(N)N(CCC(c4ccccc4)c4ccccc4)CC3=O)n2)cc1OC ZINC000013690164 553485707 /nfs/dbraw/zinc/48/57/07/553485707.db2.gz IFQDKISFOVQTQA-UHFFFAOYSA-N 0 0 511.647 5.562 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Cl)cc3)n1Cc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000013764281 553488727 /nfs/dbraw/zinc/48/87/27/553488727.db2.gz SDCCTZGEHNCSQT-FMFFXOCNSA-N 0 0 509.053 6.816 50 30 KKEARN CCCCCCOc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N/O)cc1 ZINC000013764879 553488968 /nfs/dbraw/zinc/48/89/68/553488968.db2.gz BEGTXHMMNACHQT-KUPVJLDFSA-N 0 0 538.773 9.392 50 30 KKEARN C=CCOC(=O)C1C(C)=Nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2[C@H]1c1ccccc1Cl ZINC000013779214 553490450 /nfs/dbraw/zinc/49/04/50/553490450.db2.gz KICNEZCEBOXKBY-JOCHJYFZSA-N 0 0 508.983 6.410 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2-c2cccc(OC)c2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000013810381 553492370 /nfs/dbraw/zinc/49/23/70/553492370.db2.gz DVSRTSNCUKLDCU-QNKGDIEWSA-N 0 0 520.633 6.121 50 30 KKEARN CCCCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1OC ZINC000013914592 553495427 /nfs/dbraw/zinc/49/54/27/553495427.db2.gz IVIBXNHDQVZEBG-JCMHNJIXSA-N 0 0 511.441 6.681 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OC)c(OC)c1 ZINC000013941751 553496517 /nfs/dbraw/zinc/49/65/17/553496517.db2.gz INOAAEGEWAQJJM-UHFFFAOYSA-N 0 0 518.635 5.734 50 30 KKEARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nc3ccccc3n1CCC#N)CC2 ZINC000014357877 553512660 /nfs/dbraw/zinc/51/26/60/553512660.db2.gz SEZBFZYBSJLFGJ-MUUNZHRXSA-N 0 0 512.635 5.234 50 30 KKEARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000014358083 553512799 /nfs/dbraw/zinc/51/27/99/553512799.db2.gz WKVJISSBAPCEQN-UHFFFAOYSA-N 0 0 510.597 5.231 50 30 KKEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=O)C(c2ccccc2)c2ccccc2)n1 ZINC000014671510 553519007 /nfs/dbraw/zinc/51/90/07/553519007.db2.gz WFAFUIWGHSNXQK-UHFFFAOYSA-N 0 0 502.622 5.534 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000014944120 553521733 /nfs/dbraw/zinc/52/17/33/553521733.db2.gz PBBRGZRGOTWYMG-YPCDYVTLSA-N 0 0 516.575 5.367 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000014944691 553521918 /nfs/dbraw/zinc/52/19/18/553521918.db2.gz PTUJWBQBZIAJDM-JVAFGIKQSA-N 0 0 519.594 5.606 50 30 KKEARN Cc1cc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(O)c(Br)c1C ZINC000015134380 553528209 /nfs/dbraw/zinc/52/82/09/553528209.db2.gz KZOKFORMUCWXRO-OPEKNORGSA-N 0 0 500.190 7.093 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000015188162 553528432 /nfs/dbraw/zinc/52/84/32/553528432.db2.gz RZRBGEGSAUNCPA-ZJNPVAPASA-N 0 0 512.609 6.265 50 30 KKEARN O=C(Oc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 ZINC000015163336 553528489 /nfs/dbraw/zinc/52/84/89/553528489.db2.gz ZETKZGNEEFQKGN-LGJNPRDNSA-N 0 0 512.816 6.891 50 30 KKEARN Cc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2(C#N)C#N)cc1 ZINC000015218134 553528603 /nfs/dbraw/zinc/52/86/03/553528603.db2.gz WCIXCLURGHTUOE-AXMAENODSA-N 0 0 510.637 6.995 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)C1c3ccccc3C2c2ccccc21 ZINC000015226381 553529320 /nfs/dbraw/zinc/52/93/20/553529320.db2.gz KXVFZDOLQHTRMD-ZVJDKMPJSA-N 0 0 513.380 6.480 50 30 KKEARN C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000015623656 553533670 /nfs/dbraw/zinc/53/36/70/553533670.db2.gz VDRRICMWYIZLIA-UHFFFAOYSA-N 0 0 521.712 5.810 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000015945590 553544061 /nfs/dbraw/zinc/54/40/61/553544061.db2.gz LPADWCNQAAHOGE-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000015946453 553544395 /nfs/dbraw/zinc/54/43/95/553544395.db2.gz OYWMZDLEXNJBIN-PYWPZVNCSA-N 0 0 511.485 7.370 50 30 KKEARN CCOC(=O)c1nn(-c2ccccc2)c2c1[C@@](c1ccccc1)(C(F)(F)F)N=C(Nc1ccccc1)O2 ZINC000015981527 553548865 /nfs/dbraw/zinc/54/88/65/553548865.db2.gz AFULHWSYDNVFFD-SANMLTNESA-N 0 0 506.484 5.525 50 30 KKEARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)C3=C4SC=C(c5ccccc5)N4CCCC3)c2)C[C@H](C)O1 ZINC000015982231 553549062 /nfs/dbraw/zinc/54/90/62/553549062.db2.gz KAMCOHMCVGOYSF-BGYRXZFFSA-N 0 0 510.681 5.110 50 30 KKEARN COc1cc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000016044211 553553692 /nfs/dbraw/zinc/55/36/92/553553692.db2.gz WVIULADVWQZKRX-NTEUORMPSA-N 0 0 500.433 5.869 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(N(CC)CC)cc1 ZINC000016185231 553555995 /nfs/dbraw/zinc/55/59/95/553555995.db2.gz XHVGTMVJYAFTHB-SMTACHQSSA-N 0 0 501.121 6.960 50 30 KKEARN Cc1cc(I)ccc1/N=C1/c2ccccc2N(CN2CCc3ccccc3C2)C1=O ZINC000016282078 553558305 /nfs/dbraw/zinc/55/83/05/553558305.db2.gz UWVFNBPUWAQYEO-PNHLSOANSA-N 0 0 507.375 5.083 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1[N+](=O)[O-] ZINC000016294258 553559549 /nfs/dbraw/zinc/55/95/49/553559549.db2.gz JQWOXANMODTRAS-SBQVMTCPSA-N 0 0 520.557 5.126 50 30 KKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1Br ZINC000016311783 553560017 /nfs/dbraw/zinc/56/00/17/553560017.db2.gz CUELJOAZTXQPAN-GNVQSUKOSA-N 0 0 507.407 5.144 50 30 KKEARN O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(F)(F)C(F)(F)C(F)(F)F ZINC000016385680 553562082 /nfs/dbraw/zinc/56/20/82/553562082.db2.gz HTHVAYLYGUBRMT-UMDHDWCXSA-N 0 0 506.128 5.741 50 30 KKEARN CCOc1ccccc1-c1nc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n[nH]1 ZINC000016448441 553564958 /nfs/dbraw/zinc/56/49/58/553564958.db2.gz YFUVVIMCVFCEMS-UHFFFAOYSA-N 0 0 521.602 6.400 50 30 KKEARN N#Cc1c(NC(=O)CSc2nnc(COc3ccccc3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000016448687 553565118 /nfs/dbraw/zinc/56/51/18/553565118.db2.gz GPHIJPWSXLCGKJ-UHFFFAOYSA-N 0 0 508.559 6.178 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016490463 553566402 /nfs/dbraw/zinc/56/64/02/553566402.db2.gz KCTWWZHQZFDWGX-AREMUKBSSA-N 0 0 529.127 5.678 50 30 KKEARN CCCCCc1ccc(C(C)N=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 ZINC000016512879 553566975 /nfs/dbraw/zinc/56/69/75/553566975.db2.gz PDPGYJDNGFMWBA-QNKGDIEWSA-N 0 0 513.483 8.142 50 30 KKEARN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1OCC ZINC000016688986 553573209 /nfs/dbraw/zinc/57/32/09/553573209.db2.gz IMCJJQABDPOWLO-FDAWAROLSA-N 0 0 520.651 5.648 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729869 553575968 /nfs/dbraw/zinc/57/59/68/553575968.db2.gz KJYYSLAXXOKQOM-QHCPKHFHSA-N 0 0 505.640 6.106 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016729948 553576041 /nfs/dbraw/zinc/57/60/41/553576041.db2.gz CSGVPFXMNVKXPH-PXJZQJOASA-N 0 0 527.617 6.415 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729894 553576101 /nfs/dbraw/zinc/57/61/01/553576101.db2.gz UCDSTHJBBOJQSA-RBJSKKJNSA-N 0 0 537.653 5.666 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016730015 553576326 /nfs/dbraw/zinc/57/63/26/553576326.db2.gz PYNZZLSCOXQBFR-XTEPFMGCSA-N 0 0 521.654 6.192 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016730000 553576340 /nfs/dbraw/zinc/57/63/40/553576340.db2.gz WSQLRMAFJFJYNY-NDEPHWFRSA-N 0 0 517.622 6.806 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016730899 553576936 /nfs/dbraw/zinc/57/69/36/553576936.db2.gz PWCOVFORRURBFT-HHHXNRCGSA-N 0 0 516.594 5.446 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731235 553577143 /nfs/dbraw/zinc/57/71/43/553577143.db2.gz IZZDCNRMCIZSGN-AREMUKBSSA-N 0 0 504.558 5.577 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000016732296 553577737 /nfs/dbraw/zinc/57/77/37/553577737.db2.gz PPNKCEMEKVGAAE-UHFFFAOYSA-N 0 0 510.310 6.271 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccccc1 ZINC000016733388 553577936 /nfs/dbraw/zinc/57/79/36/553577936.db2.gz QRPSKJLFZJVIKM-UHFFFAOYSA-N 0 0 510.968 8.164 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016736946 553579073 /nfs/dbraw/zinc/57/90/73/553579073.db2.gz PMOLETRXSAFIOE-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016741413 553579795 /nfs/dbraw/zinc/57/97/95/553579795.db2.gz SHDUSANTIQGSEP-WNCULLNHSA-N 0 0 513.546 5.007 50 30 KKEARN O=C(Nc1sc(N=NCc2ccco2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000016751463 553580674 /nfs/dbraw/zinc/58/06/74/553580674.db2.gz GYZDIWFRDAGQLJ-WYMPLXKRSA-N 0 0 501.793 6.517 50 30 KKEARN N#Cc1c(NC(=S)N[C@H](NC(=O)/C=C\c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2 ZINC000016790898 553582691 /nfs/dbraw/zinc/58/26/91/553582691.db2.gz SAMARFHZEGYCIT-GDWUOILNSA-N 0 0 513.903 5.311 50 30 KKEARN C=CCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3n2)cc1 ZINC000016805214 553582716 /nfs/dbraw/zinc/58/27/16/553582716.db2.gz BAHUIMFASSBBPE-UHFFFAOYSA-N 0 0 503.933 7.035 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000016805775 553582999 /nfs/dbraw/zinc/58/29/99/553582999.db2.gz SBOVVNWALVCZKW-MHZLTWQESA-N 0 0 526.658 7.265 50 30 KKEARN CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016977154 553586000 /nfs/dbraw/zinc/58/60/00/553586000.db2.gz MOBCATQFZRZFEZ-GDLZYMKVSA-N 0 0 513.594 7.188 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)c1 ZINC000017014800 553586592 /nfs/dbraw/zinc/58/65/92/553586592.db2.gz BANQQEQCBDLBOW-RUZDIDTESA-N 0 0 512.587 5.822 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc(Cl)c3)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000017138634 553588633 /nfs/dbraw/zinc/58/86/33/553588633.db2.gz SKZVPBWBBAYSBV-WRGVRERRSA-N 0 0 517.025 6.668 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1 ZINC000017166794 553589534 /nfs/dbraw/zinc/58/95/34/553589534.db2.gz WVVSWHRKCNRXOK-DCEDVJGZSA-N 0 0 524.013 5.063 50 30 KKEARN Cc1ccccc1-n1c(=O)c2c(nc1N/N=C/c1ccc(Cl)cc1)-c1ccccc1CC21CCCCC1 ZINC000017160451 553589589 /nfs/dbraw/zinc/58/95/89/553589589.db2.gz LTDRTCJFASTKID-FMFFXOCNSA-N 0 0 509.053 7.065 50 30 KKEARN CCOc1ccc(/N=C2\S/C(=C\c3cc(OCC)c(OC)cc3Br)C(=O)N2CC)cc1 ZINC000017167134 553589943 /nfs/dbraw/zinc/58/99/43/553589943.db2.gz HGDZBPNWDODBRR-LGHZWSLZSA-N 0 0 505.434 5.879 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000017196774 553590165 /nfs/dbraw/zinc/59/01/65/553590165.db2.gz SZICAGVRBYQZMZ-NDEPHWFRSA-N 0 0 523.589 5.145 50 30 KKEARN O=C(c1ccccc1)C1=CN2c3ccccc3S[C@](O)(c3ccccc3)[C@H]2[C@@H]2Sc3ccccc3N12 ZINC000017194162 553590219 /nfs/dbraw/zinc/59/02/19/553590219.db2.gz JXOIQUZEKCZCFN-DYIKCSJPSA-N 0 0 506.652 6.489 50 30 KKEARN O=C(Nc1ccccc1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575364 553591189 /nfs/dbraw/zinc/59/11/89/553591189.db2.gz ZNSJFNNRKLUACB-SCZZXKLOSA-N 0 0 571.183 6.498 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn3[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000020133643 553592310 /nfs/dbraw/zinc/59/23/10/553592310.db2.gz BYBVIELBHZLVDE-SANMLTNESA-N 0 0 509.591 6.168 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000020134302 553592565 /nfs/dbraw/zinc/59/25/65/553592565.db2.gz FHTNXEQYNMFTAO-OAQYLSRUSA-N 0 0 521.614 5.419 50 30 KKEARN CCOc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017307577 553593134 /nfs/dbraw/zinc/59/31/34/553593134.db2.gz BIIXQJPYWPKPMM-QFIPXVFZSA-N 0 0 505.615 6.213 50 30 KKEARN CCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000070665854 553597199 /nfs/dbraw/zinc/59/71/99/553597199.db2.gz BVMVRPVYRJQROP-PLZCOCPHSA-N 0 0 556.872 9.095 50 30 biogenic KKEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070670064 553600137 /nfs/dbraw/zinc/60/01/37/553600137.db2.gz YKZBFGQDLNMSMA-OYWZMJFISA-N 0 0 585.745 5.068 50 30 biogenic KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070670084 553600295 /nfs/dbraw/zinc/60/02/95/553600295.db2.gz OMHBBCVPUBKOQK-SSGRJINVSA-N 0 0 603.760 5.024 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000020157769 553600362 /nfs/dbraw/zinc/60/03/62/553600362.db2.gz LXMCPZUMZWAMTA-QKNIWELYSA-N 0 0 521.657 6.969 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1COC(=O)c1ccc(Br)cc1 ZINC000070670185 553600696 /nfs/dbraw/zinc/60/06/96/553600696.db2.gz WQSHYRPYEFFDFB-FXVLWIDFSA-N 0 0 543.498 7.284 50 30 biogenic KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC[C@]5(c6ccccc6)CCO[C@@H](C(C)C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070672011 553601490 /nfs/dbraw/zinc/60/14/90/553601490.db2.gz JISYTCWHNSEYLK-XPXAPMTOSA-N 0 0 614.871 6.965 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070672803 553602663 /nfs/dbraw/zinc/60/26/63/553602663.db2.gz ZSQUSLALPQALPW-GEFUHLBYSA-N 0 0 544.648 6.786 50 30 biogenic KKEARN CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000018084717 553603785 /nfs/dbraw/zinc/60/37/85/553603785.db2.gz FBBRWHOHGKSLDK-RWRHWQIFSA-N 0 0 510.663 6.153 50 30 KKEARN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000018107262 553604486 /nfs/dbraw/zinc/60/44/86/553604486.db2.gz GBLGNSPSWHIAMN-NRUKRWIHSA-N 0 0 509.650 6.462 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000018105962 553604501 /nfs/dbraw/zinc/60/45/01/553604501.db2.gz KFWHLJAZLWQBRL-JXSYCYSGSA-N 0 0 528.652 7.576 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000018115300 553604723 /nfs/dbraw/zinc/60/47/23/553604723.db2.gz POLJJJIQMJYCTQ-BGOLNKOXSA-N 0 0 517.044 7.960 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018116331 553604734 /nfs/dbraw/zinc/60/47/34/553604734.db2.gz VWPJLJBEVRWZLJ-URAOTHONSA-N 0 0 514.597 6.400 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1c(C)cc(C)cc1C)cn2C ZINC000020183347 553604920 /nfs/dbraw/zinc/60/49/20/553604920.db2.gz LHQRTZLMDUQZPD-JVWAILMASA-N 0 0 513.733 5.235 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)c(OC)c(OC)c3)C4=O)c2c1 ZINC000070680964 553604970 /nfs/dbraw/zinc/60/49/70/553604970.db2.gz IUGVFBARQHEHOG-VYYCAZPPSA-N 0 0 578.573 6.970 50 30 biogenic KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000020190677 553605657 /nfs/dbraw/zinc/60/56/57/553605657.db2.gz XDBCDFBHLIPMFE-DCFHFQCYSA-N 0 0 507.652 5.362 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000018142672 553605957 /nfs/dbraw/zinc/60/59/57/553605957.db2.gz VCUOOHRVHYFQBV-YRVHBCJASA-N 0 0 516.594 5.709 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000018142926 553605996 /nfs/dbraw/zinc/60/59/96/553605996.db2.gz MLSJSZFTSVEINR-JIYROHSKSA-N 0 0 512.625 7.315 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000018142314 553606042 /nfs/dbraw/zinc/60/60/42/553606042.db2.gz BYSBFFZPDKSFMB-KAYWLYCHSA-N 0 0 519.428 7.479 50 30 KKEARN COc1cc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000018195389 553608623 /nfs/dbraw/zinc/60/86/23/553608623.db2.gz YJOGXCIDSALQIF-HHHXNRCGSA-N 0 0 521.617 5.954 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/N=C5/CC[C@@]6(C)[C@@H](CC[C@H]7[C@@H]8CC[C@H](O)[C@@]8(C)CC[C@@H]76)C5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000070691964 553608788 /nfs/dbraw/zinc/60/87/88/553608788.db2.gz IFKAXOWEFYVMHY-XXCCNCEFSA-N 0 0 576.910 8.591 50 30 biogenic KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Cl)c3Cl)C2)cc(OC)c1OC ZINC000018198149 553609175 /nfs/dbraw/zinc/60/91/75/553609175.db2.gz ZEBRYXCOJQJJIH-YTEVENLXSA-N 0 0 501.370 5.026 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Cl)c3Cl)C2)cc(OC)c1OC ZINC000018198145 553609181 /nfs/dbraw/zinc/60/91/81/553609181.db2.gz ZEBRYXCOJQJJIH-AMXDTQDGSA-N 0 0 501.370 5.026 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Oc4ccccc4)c3)C2)cc(OC)c1OC ZINC000018198534 553609471 /nfs/dbraw/zinc/60/94/71/553609471.db2.gz ATPGHVRKSIYMRD-WHLCRQNOSA-N 0 0 524.577 5.512 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000018198300 553609527 /nfs/dbraw/zinc/60/95/27/553609527.db2.gz XXAXFVWSPQYGRK-XMHCIUCPSA-N 0 0 501.370 5.026 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(-c4ccccc4)cc3)C2)cc(OC)c1OC ZINC000018198258 553609532 /nfs/dbraw/zinc/60/95/32/553609532.db2.gz KSUDIMTWUBJKFJ-LYZGTLIUSA-N 0 0 508.578 5.387 50 30 KKEARN CC(C)(C)c1cc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(C(C)(C)C)c1O ZINC000018200777 553610234 /nfs/dbraw/zinc/61/02/34/553610234.db2.gz NVPHQYIHRYXKSO-QKKBWIMNSA-N 0 0 519.667 5.384 50 30 KKEARN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000018244274 553611003 /nfs/dbraw/zinc/61/10/03/553611003.db2.gz CRJHXFPNGHDAIO-QFIPXVFZSA-N 0 0 504.505 5.418 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000018244244 553611108 /nfs/dbraw/zinc/61/11/08/553611108.db2.gz CIQGUNRERSRGKF-AREMUKBSSA-N 0 0 521.608 7.719 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(F)cc3)C2)c1 ZINC000018250727 553611570 /nfs/dbraw/zinc/61/15/70/553611570.db2.gz LWWZDGPEXWLRMU-QYBDOPJKSA-N 0 0 510.487 6.297 50 30 KKEARN N#Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000018254434 553611629 /nfs/dbraw/zinc/61/16/29/553611629.db2.gz SNIBPKOEDAGUPW-CHJDUVSTSA-N 0 0 519.601 6.973 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000018276799 553611804 /nfs/dbraw/zinc/61/18/04/553611804.db2.gz HHQBUYJNJNCHOQ-NRUKRWIHSA-N 0 0 507.609 7.178 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)cc1OC ZINC000018285736 553612174 /nfs/dbraw/zinc/61/21/74/553612174.db2.gz FJULZZOKYLUYTQ-UHFFFAOYSA-N 0 0 530.694 6.139 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(C)C)[C@H]3c3cccs3)C2)cc1OC ZINC000018284667 553612230 /nfs/dbraw/zinc/61/22/30/553612230.db2.gz YIEXZJKFOWCLTR-VKGTZQKMSA-N 0 0 502.636 6.322 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000019228295 553612705 /nfs/dbraw/zinc/61/27/05/553612705.db2.gz KDRVENURFIEJQE-XMMPIXPASA-N 0 0 524.411 5.525 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccs2)cc1OC ZINC000019727601 553615588 /nfs/dbraw/zinc/61/55/88/553615588.db2.gz NWFJWXGQZMBDHV-AFJIDDCJSA-N 0 0 514.647 6.074 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000019760626 553615692 /nfs/dbraw/zinc/61/56/92/553615692.db2.gz JWOQJTNGEITARA-QABMSTFYSA-N 0 0 523.629 5.851 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000019762584 553616058 /nfs/dbraw/zinc/61/60/58/553616058.db2.gz LQIXZGMQNMHKER-FZBPCLLLSA-N 0 0 510.030 6.061 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000019770358 553616129 /nfs/dbraw/zinc/61/61/29/553616129.db2.gz LOZMCCCAIVYRCU-RNWIMVQKSA-N 0 0 531.649 5.600 50 30 biogenic KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770461 553616134 /nfs/dbraw/zinc/61/61/34/553616134.db2.gz LNVGPQZWGATCEC-PWUYWRBVSA-N 0 0 508.574 5.742 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000019804550 553617544 /nfs/dbraw/zinc/61/75/44/553617544.db2.gz IDZLJFCXPXKTBB-XMMPIXPASA-N 0 0 506.385 6.314 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 ZINC000019804620 553617745 /nfs/dbraw/zinc/61/77/45/553617745.db2.gz NJEPNECKARDOEI-DEOSSOPVSA-N 0 0 519.956 5.808 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000019808446 553618040 /nfs/dbraw/zinc/61/80/40/553618040.db2.gz HJCSDJQXHHQVBI-QHCPKHFHSA-N 0 0 523.655 5.934 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000019830832 553622657 /nfs/dbraw/zinc/62/26/57/553622657.db2.gz ZTNAOWOQCJVUTQ-QUGAMOGWSA-N 0 0 509.986 5.391 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000019830833 553622776 /nfs/dbraw/zinc/62/27/76/553622776.db2.gz ZTNAOWOQCJVUTQ-MRDQGFSESA-N 0 0 509.986 5.391 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000019848271 553623604 /nfs/dbraw/zinc/62/36/04/553623604.db2.gz HIIJGNUXEPUETG-UHFFFAOYSA-N 0 0 519.663 5.736 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000019855045 553624140 /nfs/dbraw/zinc/62/41/40/553624140.db2.gz GDZKSQYXJHQXJU-HSZRJFAPSA-N 0 0 526.427 5.511 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019858218 553628898 /nfs/dbraw/zinc/62/88/98/553628898.db2.gz HMGRBYFAVRKIJP-CDNPAEQRSA-N 0 0 511.615 5.381 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000019881038 553629415 /nfs/dbraw/zinc/62/94/15/553629415.db2.gz ZJNRULCCWZBPKR-SKCUWOTOSA-N 0 0 503.595 5.181 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000019880850 553629432 /nfs/dbraw/zinc/62/94/32/553629432.db2.gz UOHFJEFUHCRUBD-UZTOHYMASA-N 0 0 522.041 6.205 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000019892441 553630870 /nfs/dbraw/zinc/63/08/70/553630870.db2.gz IVULQKYFYDTKKT-XHCCPWGMSA-N 0 0 525.642 5.501 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCC)c1 ZINC000019892626 553631126 /nfs/dbraw/zinc/63/11/26/553631126.db2.gz BOQCRGBWZZSERA-PZGXJGMVSA-N 0 0 535.637 5.044 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)cc1 ZINC000019892563 553631140 /nfs/dbraw/zinc/63/11/40/553631140.db2.gz NNWPIPOCMLOGSV-KPURRNSFSA-N 0 0 535.637 5.044 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019892722 553631318 /nfs/dbraw/zinc/63/13/18/553631318.db2.gz XDGRXALBRZJGSD-ZQDHAPQSSA-N 0 0 510.030 6.061 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000019892740 553631527 /nfs/dbraw/zinc/63/15/27/553631527.db2.gz HQBCXBGBQAMKEF-LYZGTLIUSA-N 0 0 521.679 5.670 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000019892735 553631612 /nfs/dbraw/zinc/63/16/12/553631612.db2.gz HQBCXBGBQAMKEF-RBTNQOKQSA-N 0 0 521.679 5.670 50 30 KKEARN O=C(N/C=N/OCc1ccc(Cl)cc1Cl)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020388892 553644418 /nfs/dbraw/zinc/64/44/18/553644418.db2.gz LJLKUIVIWUSLRN-UHFFFAOYSA-N 0 0 509.743 5.553 50 30 KKEARN COc1c2c(cc3c1[C@@H](C#CCOc1cc4c(cc1C(C)(C)C)oc1c4CCCC1)N(C)CC3)OCO2 ZINC000020410580 553645891 /nfs/dbraw/zinc/64/58/91/553645891.db2.gz DWNLKPNALZNWCU-HSZRJFAPSA-N 0 0 501.623 5.958 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccccc2F)cc1OC ZINC000020418786 553647696 /nfs/dbraw/zinc/64/76/96/553647696.db2.gz FAKOAUJQYDRUKZ-JRPXNJEYSA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccccc2)cc1OC ZINC000020418783 553647700 /nfs/dbraw/zinc/64/77/00/553647700.db2.gz CYUIACPDVJWPCO-YUDQIZAISA-N 0 0 508.618 6.013 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000079204035 553669329 /nfs/dbraw/zinc/66/93/29/553669329.db2.gz BCTSRFZIGSWYBF-UOOPZUFFSA-N 0 0 682.727 9.684 50 30 biogenic KKEARN CCCCCC(=O)OCC(=O)[C@@]1(OC(=O)CCCCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CCCCC)C[C@@]21C ZINC000079216833 553671514 /nfs/dbraw/zinc/67/15/14/553671514.db2.gz XLSDZSJYKYDEJV-PGTRRBJMSA-N 0 0 686.902 8.289 50 30 biogenic KKEARN CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sccc3CCCCCCCCCCCC)s2)s1 ZINC000082178382 553674430 /nfs/dbraw/zinc/67/44/30/553674430.db2.gz DZUNDTRLGXGTGU-UHFFFAOYSA-N 0 0 667.172 15.860 50 30 KKEARN COc1cc(OC)c(NC=C2C(=O)c3sccc3N(Cc3cccc(F)c3)S2(=O)=O)cc1Cl ZINC000020575924 553675428 /nfs/dbraw/zinc/67/54/28/553675428.db2.gz CDBDBZLHEWGCCY-JAIQZWGSSA-N 0 0 508.980 5.044 50 30 KKEARN Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(NC(=O)c4ccco4)cc3)S2(=O)=O)cc1 ZINC000020575719 553675476 /nfs/dbraw/zinc/67/54/76/553675476.db2.gz XLQGKGRWIONRFC-HAHDFKILSA-N 0 0 519.604 5.388 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)cc(Cl)c1O ZINC000083293589 553676371 /nfs/dbraw/zinc/67/63/71/553676371.db2.gz ZJQGZMBLVIETRC-LGSKZASQSA-N 0 0 507.055 7.378 50 30 KKEARN N#Cc1ccc(N2C[C@H](C(=O)N3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)CC2=O)cc1 ZINC000085392770 553679112 /nfs/dbraw/zinc/67/91/12/553679112.db2.gz SOTVPXXAOMOMAU-HSZRJFAPSA-N 0 0 527.628 5.482 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cc(C)ccc1C)C[C@](C)(c1cccnc1)O2 ZINC000020685963 553688931 /nfs/dbraw/zinc/68/89/31/553688931.db2.gz WDNJEIYHGDMBEZ-LLJYRHCUSA-N 0 0 518.639 5.029 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000085994168 553692866 /nfs/dbraw/zinc/69/28/66/553692866.db2.gz PBHFSZWKNHEKBL-NDEPHWFRSA-N 0 0 507.590 5.439 50 30 KKEARN COc1cc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C ZINC000020115604 553697141 /nfs/dbraw/zinc/69/71/41/553697141.db2.gz UAKBKANKDUAVNC-LPHFKDDMSA-N 0 0 526.673 7.892 50 30 KKEARN COc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OC)c(Cn4cccn4)c3)C2=O)cc1Cn1cccn1 ZINC000020115630 553697149 /nfs/dbraw/zinc/69/71/49/553697149.db2.gz BNEMXARPWRBAHT-ZZZAPRPPSA-N 0 0 508.622 5.659 50 30 KKEARN O=C(Nc1cccc2ccccc21)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100640 553699173 /nfs/dbraw/zinc/69/91/73/553699173.db2.gz VATLADSQTZJOII-TZMCWYRMSA-N 0 0 621.243 7.651 50 30 KKEARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100626 553699235 /nfs/dbraw/zinc/69/92/35/553699235.db2.gz KPNKBXKDAGFSPT-SCZZXKLOSA-N 0 0 616.180 6.406 50 30 KKEARN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000020850002 553699678 /nfs/dbraw/zinc/69/96/78/553699678.db2.gz VJXQNPBLJWIJKH-JOCHJYFZSA-N 0 0 509.473 6.299 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000020850291 553699684 /nfs/dbraw/zinc/69/96/84/553699684.db2.gz DQOOWCBDSQTCGZ-NRFANRHFSA-N 0 0 513.436 6.130 50 30 KKEARN COc1ccc(C(=O)CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000020850041 553699727 /nfs/dbraw/zinc/69/97/27/553699727.db2.gz LSGRZYULRGJPMN-HSZRJFAPSA-N 0 0 509.031 5.573 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@H](c2c(Cl)cccc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000020850897 553699869 /nfs/dbraw/zinc/69/98/69/553699869.db2.gz GXCKSZFDLVSFPE-HSZRJFAPSA-N 0 0 513.494 7.152 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=N3)c(C)c1 ZINC000020850701 553699914 /nfs/dbraw/zinc/69/99/14/553699914.db2.gz XIRSKCPVOZOLGX-QHCPKHFHSA-N 0 0 513.494 7.152 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)[C@@H](Sc1nnnn1-c1ccccc1)C2 ZINC000095660885 553706723 /nfs/dbraw/zinc/70/67/23/553706723.db2.gz VYWZQWHSTHBYSJ-HKBQPEDESA-N 0 0 589.850 8.762 50 30 KKEARN O=[N+]([O-])c1ccc(O/N=C(/CNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000095660875 553706761 /nfs/dbraw/zinc/70/67/61/553706761.db2.gz FEUZRDBDMFSFIU-GXVXDJONSA-N 0 0 558.594 6.868 50 30 KKEARN CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671300 553707255 /nfs/dbraw/zinc/70/72/55/553707255.db2.gz XYGYVZPNAGJLRE-UHFFFAOYSA-N 0 0 588.386 10.307 50 30 KKEARN O=C(/C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095671293 553707285 /nfs/dbraw/zinc/70/72/85/553707285.db2.gz KTDHXHZTHVKJGC-OWOJBTEDSA-N 0 0 808.244 8.887 50 30 KKEARN C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681628 553707457 /nfs/dbraw/zinc/70/74/57/553707457.db2.gz ASJLMYWCUSHRIW-UHFFFAOYSA-N 0 0 586.160 6.698 50 30 KKEARN C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681736 553707642 /nfs/dbraw/zinc/70/76/42/553707642.db2.gz KTPONRIHDUNNPD-UHFFFAOYSA-N 0 0 582.197 7.141 50 30 KKEARN C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681836 553707820 /nfs/dbraw/zinc/70/78/20/553707820.db2.gz FQHLOOOXLDQLPF-UHFFFAOYSA-N 0 0 632.204 7.776 50 30 KKEARN C=C(C)C(=O)OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681745 553707824 /nfs/dbraw/zinc/70/78/24/553707824.db2.gz RPDBRTLKDYJCCE-LURJTMIESA-N 0 0 512.209 5.231 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095697019 553708384 /nfs/dbraw/zinc/70/83/84/553708384.db2.gz QKYNDPROJKKCEU-UHFFFAOYSA-N 0 0 788.101 10.370 50 30 KKEARN Cc1c(C#N)c(Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000095703708 553708754 /nfs/dbraw/zinc/70/87/54/553708754.db2.gz UPOBWNVQHFJMOE-UHFFFAOYSA-N 0 0 543.618 8.130 50 30 KKEARN CCCCCCCCCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1-c1ccccc1C(F)(F)F ZINC000095703760 553708929 /nfs/dbraw/zinc/70/89/29/553708929.db2.gz LBFLZFVOSVOBQS-UHFFFAOYSA-N 0 0 574.757 9.214 50 30 KKEARN FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095707734 553709449 /nfs/dbraw/zinc/70/94/49/553709449.db2.gz SRDQTCUHAMDAMG-UHFFFAOYSA-N 0 0 653.864 6.854 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095719239 553709670 /nfs/dbraw/zinc/70/96/70/553709670.db2.gz NIRPXSQCRWXHNZ-UHFFFAOYSA-N 0 0 500.095 5.623 50 30 KKEARN CCCCCCCCCCCCNc1ccc(NCCCCCCCCCCCC)c2c1C(=O)c1ccccc1C2=O ZINC000095725746 553710829 /nfs/dbraw/zinc/71/08/29/553710829.db2.gz KKCHQIVDXQUOPM-UHFFFAOYSA-N 0 0 574.894 11.128 50 30 KKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(F)cc2)CC1 ZINC000096021479 553717439 /nfs/dbraw/zinc/71/74/39/553717439.db2.gz DECBJNGVBUIEAD-UHFFFAOYSA-N 0 0 511.689 7.032 50 30 KKEARN Cc1ccc(S(=O)(=O)N=[P@](/C=C2/N(C)c3ccccc3C2(C)C)(Oc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000096022796 553722605 /nfs/dbraw/zinc/72/26/05/553722605.db2.gz POVDBBSVCNKVTH-AVFAZMLESA-N 0 0 567.651 7.345 50 30 KKEARN COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000022170736 553727387 /nfs/dbraw/zinc/72/73/87/553727387.db2.gz OPCHRDGCKYESHK-UKJJDJLKSA-N 0 0 500.598 6.906 50 30 KKEARN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096295715 553748381 /nfs/dbraw/zinc/74/83/81/553748381.db2.gz YHBZXNNXEKIFGP-HSZRJFAPSA-N 0 0 524.415 5.101 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCN(Cc4ccc(F)cc4Cl)CC3)sc2C1 ZINC000022752581 553749909 /nfs/dbraw/zinc/74/99/09/553749909.db2.gz ULJKZPYPUSGDNY-IBGZPJMESA-N 0 0 517.114 5.710 50 30 KKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000096592612 553756448 /nfs/dbraw/zinc/75/64/48/553756448.db2.gz CBEWHEWLKACGLQ-OAQYLSRUSA-N 0 0 508.993 6.971 50 30 KKEARN C=CCOc1ccc(/C=C\c2cc(/C=C\c3ccc(OCC=C)cc3)nc(-c3ccc(OCC=C)cc3)n2)cc1 ZINC000096594580 553756675 /nfs/dbraw/zinc/75/66/75/553756675.db2.gz CHFLPLIJWWXJLB-DUGOVBPYSA-N 0 0 528.652 8.179 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Sc2cccc3cccnc32)o1 ZINC000096602561 553756914 /nfs/dbraw/zinc/75/69/14/553756914.db2.gz BOZBTTCLYXTOFC-HKBQPEDESA-N 0 0 502.639 8.442 50 30 KKEARN CC/N=C1\S/C(=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N1CC ZINC000096822626 553757553 /nfs/dbraw/zinc/75/75/53/553757553.db2.gz CEPCJXDVFSRSKD-ZHUSSGSBSA-N 0 0 503.462 6.047 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939642 553759963 /nfs/dbraw/zinc/75/99/63/553759963.db2.gz SMMNKVVVHMAHFE-BATDWUPUSA-N 0 0 531.630 5.247 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccs2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000097939653 553760159 /nfs/dbraw/zinc/76/01/59/553760159.db2.gz VWCCBNBIRBGKOZ-ACHIHNKUSA-N 0 0 632.804 6.312 50 30 KKEARN CC1=C(C(=O)OCCCCOC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000097939652 553760163 /nfs/dbraw/zinc/76/01/63/553760163.db2.gz VWCCBNBIRBGKOZ-ROJLCIKYSA-N 0 0 632.804 6.312 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097939708 553760423 /nfs/dbraw/zinc/76/04/23/553760423.db2.gz ZMXCQPSKYTVKEP-WGDIFIGCSA-N 0 0 602.547 5.830 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(F)cc2)cc1 ZINC000097939793 553761278 /nfs/dbraw/zinc/76/12/78/553761278.db2.gz RDHHMLYPFMKJOA-DFXYEROKSA-N 0 0 542.607 5.852 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939783 553761287 /nfs/dbraw/zinc/76/12/87/553761287.db2.gz WWRACAHLGJEBNK-URAOTHONSA-N 0 0 611.757 5.778 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097939778 553761303 /nfs/dbraw/zinc/76/13/03/553761303.db2.gz CDVSWBGQMNVOKN-JRLVAEJTSA-N 0 0 549.689 5.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939812 553761552 /nfs/dbraw/zinc/76/15/52/553761552.db2.gz LBPRBHXZWNQERK-GHRAFVERSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000097939808 553761580 /nfs/dbraw/zinc/76/15/80/553761580.db2.gz VUZAVRPTVNABEB-IIMAJNMQSA-N 0 0 592.614 6.732 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000097939819 553761593 /nfs/dbraw/zinc/76/15/93/553761593.db2.gz JQRILQWMDGNMJI-IPBJYNAHSA-N 0 0 554.712 6.734 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000097939814 553761634 /nfs/dbraw/zinc/76/16/34/553761634.db2.gz KZLPNLQWWXMICX-YKGWIAGDSA-N 0 0 543.063 6.666 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939830 553761648 /nfs/dbraw/zinc/76/16/48/553761648.db2.gz LMMODBDYLBQRDJ-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939882 553762133 /nfs/dbraw/zinc/76/21/33/553762133.db2.gz TWSNABHYICVZOA-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097939880 553762136 /nfs/dbraw/zinc/76/21/36/553762136.db2.gz GJLCQHUYWNREKC-IIMAJNMQSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097939869 553762145 /nfs/dbraw/zinc/76/21/45/553762145.db2.gz 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ZINC000097940018 553763323 /nfs/dbraw/zinc/76/33/23/553763323.db2.gz PIMOYAPGLYGNEE-ICACTRECSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCN(c4nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n4)CC3)n2)cc1 ZINC000097940229 553763726 /nfs/dbraw/zinc/76/37/26/553763726.db2.gz RFPDZQZSCGOQRE-UHFFFAOYSA-N 0 0 818.580 6.632 50 30 KKEARN CCCCCCCCCCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH2+]CC3)c(F)c21 ZINC000097944972 553770634 /nfs/dbraw/zinc/77/06/34/553770634.db2.gz AJDFUJBQUMHNRP-UHFFFAOYSA-N 0 0 505.650 6.089 50 30 KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097945649 553773610 /nfs/dbraw/zinc/77/36/10/553773610.db2.gz PGQPWJLEXVHILY-KEEVHDRGSA-N 0 0 533.499 8.211 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000097945711 553774145 /nfs/dbraw/zinc/77/41/45/553774145.db2.gz WQGIJKUYLBKJIX-NRUKRWIHSA-N 0 0 535.043 7.563 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000097946005 553775903 /nfs/dbraw/zinc/77/59/03/553775903.db2.gz DBQVRZKNEFHGQQ-JQJBXXCASA-N 0 0 540.679 7.951 50 30 KKEARN O=S(=O)(c1ccc(-c2csc(N=NCc3cccc(Cl)c3)n2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000097946342 553778445 /nfs/dbraw/zinc/77/84/45/553778445.db2.gz XHTLVMLLAHPSJH-NDZAJKAJSA-N 0 0 551.137 6.553 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000097946395 553779010 /nfs/dbraw/zinc/77/90/10/553779010.db2.gz ACWICHUONGFHBT-FUAQWRKOSA-N 0 0 646.769 5.533 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCC)C2=O)c(C)c1 ZINC000097946434 553779264 /nfs/dbraw/zinc/77/92/64/553779264.db2.gz AXDHKFSVVDNQSB-OOAXWGSJSA-N 0 0 531.747 7.584 50 30 KKEARN Cc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097946756 553781555 /nfs/dbraw/zinc/78/15/55/553781555.db2.gz IZFCCJLAMBFXNC-CVYRBCPQSA-N 0 0 543.645 6.460 50 30 KKEARN O=C(Nc1ccc(-c2cccc(-c3ccc4c(c3)OCCO4)n2)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000023453163 553782759 /nfs/dbraw/zinc/78/27/59/553782759.db2.gz OFCXTAPJYMGJJG-UHFFFAOYSA-N 0 0 500.370 5.958 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3cccc4ccccc43)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947017 553782852 /nfs/dbraw/zinc/78/28/52/553782852.db2.gz LPCFHMIHKISQGH-HVUZKSCUSA-N 0 0 577.942 6.732 50 30 KKEARN COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)n2)c1 ZINC000023453770 553782990 /nfs/dbraw/zinc/78/29/90/553782990.db2.gz AZZFUMQLBWYAIH-UHFFFAOYSA-N 0 0 502.386 6.204 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 ZINC000097947171 553784157 /nfs/dbraw/zinc/78/41/57/553784157.db2.gz FXVZYBCQHWVAON-SJIPCVTESA-N 0 0 552.634 6.947 50 30 KKEARN CCCCCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O ZINC000097947306 553785200 /nfs/dbraw/zinc/78/52/00/553785200.db2.gz BWHZLDRSEBDHBI-ULJHMMPZSA-N 0 0 550.750 6.185 50 30 KKEARN CCCCCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000097947305 553785234 /nfs/dbraw/zinc/78/52/34/553785234.db2.gz OKHOPDZWJLNQQM-IWIPYMOSSA-N 0 0 564.733 5.905 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947467 553786510 /nfs/dbraw/zinc/78/65/10/553786510.db2.gz JKNLVQHFPSWLCC-MDINZUHSSA-N 0 0 690.778 5.150 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097947468 553786539 /nfs/dbraw/zinc/78/65/39/553786539.db2.gz JKNLVQHFPSWLCC-IQPMGOHCSA-N 0 0 690.778 5.150 50 30 KKEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCc1nnc(-c2ccc(Br)cc2)o1 ZINC000023983150 553787610 /nfs/dbraw/zinc/78/76/10/553787610.db2.gz ZDYVTFAOFFPVLA-UHFFFAOYSA-N 0 0 502.369 5.287 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000097947821 553788865 /nfs/dbraw/zinc/78/88/65/553788865.db2.gz AKJDYZPIHUYHQC-DHUJRADRSA-N 0 0 542.679 7.651 50 30 KKEARN C=CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000097947969 553790310 /nfs/dbraw/zinc/79/03/10/553790310.db2.gz DAMPEPLQFFNYON-HNNXBMFYSA-N 0 0 547.628 5.851 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000097948008 553790496 /nfs/dbraw/zinc/79/04/96/553790496.db2.gz OYEUTFRJQMDYKN-AJBRRXLCSA-N 0 0 548.727 7.943 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccccc2Cl)cc1 ZINC000097948121 553791221 /nfs/dbraw/zinc/79/12/21/553791221.db2.gz VPWWYTRFJBZEGV-WHLCRQNOSA-N 0 0 553.024 8.100 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000025076358 553792768 /nfs/dbraw/zinc/79/27/68/553792768.db2.gz QXWLRQDWMNSNLV-HHHXNRCGSA-N 0 0 520.069 7.741 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)nnc1-c1ccc(N(CC)CC)cc1 ZINC000097948294 553792843 /nfs/dbraw/zinc/79/28/43/553792843.db2.gz CENGBBNWZBTICF-UHFFFAOYSA-N 0 0 561.733 6.223 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000097948469 553794130 /nfs/dbraw/zinc/79/41/30/553794130.db2.gz RNJCMLBCIKPKEI-PKHCJMHPSA-N 0 0 572.467 8.739 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OC)nnc1-c1ccc(N(CC)CC)cc1 ZINC000097948647 553795530 /nfs/dbraw/zinc/79/55/30/553795530.db2.gz UYQQLKUIJGNSHI-UHFFFAOYSA-N 0 0 589.787 6.840 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000097948645 553795545 /nfs/dbraw/zinc/79/55/45/553795545.db2.gz FCQMRHTYXCHRAB-HUBRWUETSA-N 0 0 589.607 9.772 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000097948758 553796379 /nfs/dbraw/zinc/79/63/79/553796379.db2.gz RHKMZFQMEZWVBQ-XFSFLGPDSA-N 0 0 602.493 8.747 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000097948805 553796878 /nfs/dbraw/zinc/79/68/78/553796878.db2.gz LAWAZZKJFXTFSY-KWXDVARASA-N 0 0 604.722 8.618 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CSc4nc5ccccc5s4)[C@H]3c3cccs3)C2)cc1 ZINC000097948876 553797401 /nfs/dbraw/zinc/79/74/01/553797401.db2.gz GSRZBVWUZNNIHW-KTBRYMIGSA-N 0 0 609.798 8.059 50 30 KKEARN O=C(N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccc(NN=C2C(=O)Nc3ccccc32)cc1 ZINC000025153977 553797688 /nfs/dbraw/zinc/79/76/88/553797688.db2.gz ADGOIYWPRQXXFC-RUZDIDTESA-N 0 0 514.507 5.993 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000097948966 553798128 /nfs/dbraw/zinc/79/81/28/553798128.db2.gz OAXKKUNHFQHJDU-AOXBRHMESA-N 0 0 622.693 7.383 50 30 KKEARN O=C(Nc1nnnn1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000097949021 553798710 /nfs/dbraw/zinc/79/87/10/553798710.db2.gz KOQRLXIJEVMTJN-UHFFFAOYSA-N 0 0 631.483 7.431 50 30 KKEARN O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949220 553800515 /nfs/dbraw/zinc/80/05/15/553800515.db2.gz BZWKZJNCVSFSEY-UHFFFAOYSA-N 0 0 672.326 6.976 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C(=O)OCCCCCCCC)cc4)C5=O)cc3C2=O)cc1 ZINC000097949298 553801050 /nfs/dbraw/zinc/80/10/50/553801050.db2.gz LSYUKGGTCFXGRW-UHFFFAOYSA-N 0 0 784.906 9.553 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cc2c(Br)sc(Br)c2s1 ZINC000097950274 553803774 /nfs/dbraw/zinc/80/37/74/553803774.db2.gz JHOKPJYTDZFNDN-UHFFFAOYSA-N 0 0 510.357 8.566 50 30 KKEARN CCCCCCCC(=O)N[C@H](NC(=S)Nc1c(Br)cc(OC)cc1Br)C(Cl)(Cl)Cl ZINC000097950723 553805263 /nfs/dbraw/zinc/80/52/63/553805263.db2.gz YZGXEOKPRXGQKO-MRXNPFEDSA-N 0 0 612.643 6.680 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097950765 553805518 /nfs/dbraw/zinc/80/55/18/553805518.db2.gz KKNHUPAPBMHUOV-JOCHJYFZSA-N 0 0 648.910 8.481 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000097950770 553805545 /nfs/dbraw/zinc/80/55/45/553805545.db2.gz BVJOMLWPXGNWRU-DEOSSOPVSA-N 0 0 551.068 8.494 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097950910 553805981 /nfs/dbraw/zinc/80/59/81/553805981.db2.gz CTDKSULELLTLEK-QHCPKHFHSA-N 0 0 537.041 8.185 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000097950923 553805983 /nfs/dbraw/zinc/80/59/83/553805983.db2.gz UYCUOCFDYHPTQP-JOCHJYFZSA-N 0 0 591.904 9.184 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000097950913 553805992 /nfs/dbraw/zinc/80/59/92/553805992.db2.gz SFMCAWMYBVZZBK-JOCHJYFZSA-N 0 0 557.459 8.530 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097950929 553806239 /nfs/dbraw/zinc/80/62/39/553806239.db2.gz IXVVXDDMBHXOTC-JOCHJYFZSA-N 0 0 568.011 7.785 50 30 KKEARN C=CCN(CC=C)C(=O)CSc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1Cc1ccccc1 ZINC000025387938 553806763 /nfs/dbraw/zinc/80/67/63/553806763.db2.gz DLHYVKAZHGMDMF-UHFFFAOYSA-N 0 0 501.677 5.774 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951083 553807039 /nfs/dbraw/zinc/80/70/39/553807039.db2.gz NLQHAQPPHIWWCZ-XDFJSJKPSA-N 0 0 514.666 7.685 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000097951394 553808827 /nfs/dbraw/zinc/80/88/27/553808827.db2.gz KAPCAPLPMURCHQ-YTMVLYRLSA-N 0 0 533.466 7.435 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000097951465 553809017 /nfs/dbraw/zinc/80/90/17/553809017.db2.gz AMSDJHIXVYHODZ-GDLZYMKVSA-N 0 0 544.648 5.121 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000097951457 553809086 /nfs/dbraw/zinc/80/90/86/553809086.db2.gz OCMWNHJWUOOLLK-LJAQVGFWSA-N 0 0 544.648 5.208 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097951482 553809346 /nfs/dbraw/zinc/80/93/46/553809346.db2.gz JXLGKJXTDIULAS-UGDMGKLASA-N 0 0 533.499 8.249 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000097951484 553809423 /nfs/dbraw/zinc/80/94/23/553809423.db2.gz JXLGKJXTDIULAS-UVDDSOTQSA-N 0 0 533.499 8.249 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000097951532 553809634 /nfs/dbraw/zinc/80/96/34/553809634.db2.gz FZOJHFQBOMZLOC-SSEXGKCCSA-N 0 0 538.172 9.400 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000097951591 553809950 /nfs/dbraw/zinc/80/99/50/553809950.db2.gz IYPACDDHHOXXFX-WJOKGBTCSA-N 0 0 548.639 6.996 50 30 KKEARN C=CCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000097951632 553810253 /nfs/dbraw/zinc/81/02/53/553810253.db2.gz IUZKDLJZQCRNGL-MYYYXRDXSA-N 0 0 535.406 6.058 50 30 KKEARN O=C(NN1/C(=N\c2ccc(Br)cc2)SC[C@@]1(O)c1ccccc1)c1cccc(Cl)c1 ZINC000025579897 553811449 /nfs/dbraw/zinc/81/14/49/553811449.db2.gz NQEMHMXQJARXQU-FNBPXTNNSA-N 0 0 502.821 5.329 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951820 553811747 /nfs/dbraw/zinc/81/17/47/553811747.db2.gz OCFAOIGISJGXAL-SANMLTNESA-N 0 0 544.629 6.194 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952166 553813478 /nfs/dbraw/zinc/81/34/78/553813478.db2.gz NVBQADXMKIQLND-SANMLTNESA-N 0 0 528.630 6.493 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952245 553814204 /nfs/dbraw/zinc/81/42/04/553814204.db2.gz KZKZGEAIESNBER-VWLOTQADSA-N 0 0 533.049 7.084 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097952389 553815322 /nfs/dbraw/zinc/81/53/22/553815322.db2.gz GLJVJXUPOQAIMJ-DEOSSOPVSA-N 0 0 529.574 5.921 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Br)c1 ZINC000097952478 553816052 /nfs/dbraw/zinc/81/60/52/553816052.db2.gz HBLLIDMULAHZPR-RUZDIDTESA-N 0 0 536.422 5.561 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000097952471 553816079 /nfs/dbraw/zinc/81/60/79/553816079.db2.gz ODFVSBDNIXCZNW-SANMLTNESA-N 0 0 528.630 6.439 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952564 553816644 /nfs/dbraw/zinc/81/66/44/553816644.db2.gz MPYLMNYTOWUMFF-HSZRJFAPSA-N 0 0 535.021 6.312 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000097952568 553816654 /nfs/dbraw/zinc/81/66/54/553816654.db2.gz GKUMZANCHSRNEG-MUUNZHRXSA-N 0 0 542.035 6.093 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952604 553816955 /nfs/dbraw/zinc/81/69/55/553816955.db2.gz CZCRITUEPQRFLD-SSEXGKCCSA-N 0 0 535.644 6.002 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000097952639 553817459 /nfs/dbraw/zinc/81/74/59/553817459.db2.gz CEDHVXMBSQRJTQ-JBOQNHBVSA-N 0 0 512.650 6.785 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952672 553817661 /nfs/dbraw/zinc/81/76/61/553817661.db2.gz RJWBYECVXCQESF-SANMLTNESA-N 0 0 526.614 6.030 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000097952942 553818160 /nfs/dbraw/zinc/81/81/60/553818160.db2.gz KFVDGXGEXQHMRY-LBNVMWSVSA-N 0 0 523.471 7.942 50 30 KKEARN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952970 553818177 /nfs/dbraw/zinc/81/81/77/553818177.db2.gz HAZPITJVGYQKBU-QHCPKHFHSA-N 0 0 539.602 6.096 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000097952969 553818219 /nfs/dbraw/zinc/81/82/19/553818219.db2.gz GWPFXAHYCDZPRO-JPZYQRIQSA-N 0 0 539.462 8.208 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000097953032 553818895 /nfs/dbraw/zinc/81/88/95/553818895.db2.gz PDARZBKLHHJIIH-MUUNZHRXSA-N 0 0 547.604 5.653 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953066 553819198 /nfs/dbraw/zinc/81/91/98/553819198.db2.gz AQRHPFGCYONOMP-RUZDIDTESA-N 0 0 544.585 5.258 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097953988 553820373 /nfs/dbraw/zinc/82/03/73/553820373.db2.gz XPRAVUIGZNMGIS-GDLZYMKVSA-N 0 0 548.595 5.534 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097953996 553820653 /nfs/dbraw/zinc/82/06/53/553820653.db2.gz HTVSRSOYLYIHDI-LJAQVGFWSA-N 0 0 543.616 5.814 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097954114 553821299 /nfs/dbraw/zinc/82/12/99/553821299.db2.gz CSGNTBDHMOTJSV-UVDDSOTQSA-N 0 0 531.608 6.623 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097954244 553822515 /nfs/dbraw/zinc/82/25/15/553822515.db2.gz KEMIBBGCUJIMDQ-JRPXNJEYSA-N 0 0 539.628 5.795 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097954243 553822572 /nfs/dbraw/zinc/82/25/72/553822572.db2.gz KEMIBBGCUJIMDQ-URAOTHONSA-N 0 0 539.628 5.795 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954502 553823567 /nfs/dbraw/zinc/82/35/67/553823567.db2.gz CCOYEDSVCDXTJJ-WKRVVKTRSA-N 0 0 531.608 6.368 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1C ZINC000027018933 553823752 /nfs/dbraw/zinc/82/37/52/553823752.db2.gz FNFZIHGSLWFHIY-RLWITGEDSA-N 0 0 514.651 5.492 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000097954657 553824440 /nfs/dbraw/zinc/82/44/40/553824440.db2.gz SMGCBOOMNJKAMR-SSEXGKCCSA-N 0 0 548.724 8.654 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000097954984 553827010 /nfs/dbraw/zinc/82/70/10/553827010.db2.gz DEUXHZJIKRCGGA-XMMPIXPASA-N 0 0 548.661 6.207 50 30 KKEARN CCCc1cc(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n2c3ccccc3nc2c1C#N ZINC000097954995 553827039 /nfs/dbraw/zinc/82/70/39/553827039.db2.gz WWMIHLLDMHUFFD-UHFFFAOYSA-N 0 0 532.691 6.159 50 30 KKEARN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000027520268 553827066 /nfs/dbraw/zinc/82/70/66/553827066.db2.gz VOYDFNFYFUIIME-JVCXMKTPSA-N 0 0 518.436 6.800 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955015 553827392 /nfs/dbraw/zinc/82/73/92/553827392.db2.gz PALGSGOSKGPQAV-LFPIHBKWSA-N 0 0 533.005 6.065 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955043 553827945 /nfs/dbraw/zinc/82/79/45/553827945.db2.gz VCPAFSTVRCEUTE-SGANQWHYSA-N 0 0 528.586 5.425 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955086 553828362 /nfs/dbraw/zinc/82/83/62/553828362.db2.gz IOMDXLIZGUSVTP-CBZJRKILSA-N 0 0 540.641 6.535 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955113 553828665 /nfs/dbraw/zinc/82/86/65/553828665.db2.gz IZJZSYDKKSZKQN-YHAMSUFESA-N 0 0 542.632 6.839 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000097955097 553828708 /nfs/dbraw/zinc/82/87/08/553828708.db2.gz MUOTXTXHMXSLDV-BZQUYTCOSA-N 0 0 528.586 5.507 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000027522492 553828992 /nfs/dbraw/zinc/82/89/92/553828992.db2.gz WSBJNKYGJKOGTB-FJOMVMCCSA-N 0 0 521.570 5.114 50 30 KKEARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000027522440 553829039 /nfs/dbraw/zinc/82/90/39/553829039.db2.gz XTDVTKGVVYGPRP-PCKLGSBKSA-N 0 0 512.462 5.874 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955180 553829429 /nfs/dbraw/zinc/82/94/29/553829429.db2.gz RKSIPBQZWQNQKA-ODCWNRFASA-N 0 0 530.577 5.940 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955160 553829521 /nfs/dbraw/zinc/82/95/21/553829521.db2.gz DBJNMHIIWNKVFE-MRDQGFSESA-N 0 0 526.614 6.028 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955240 553830155 /nfs/dbraw/zinc/83/01/55/553830155.db2.gz MXWUXHVHVOHHSL-CPJLOUKISA-N 0 0 531.033 6.673 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955252 553830248 /nfs/dbraw/zinc/83/02/48/553830248.db2.gz FVPXETVHVVYOPQ-HEIROHQZSA-N 0 0 569.698 6.799 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955294 553831009 /nfs/dbraw/zinc/83/10/09/553831009.db2.gz XIKOBSVLTLOWBK-QLXKLKPCSA-N 0 0 526.614 6.110 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1 ZINC000027528333 553831335 /nfs/dbraw/zinc/83/13/35/553831335.db2.gz XPKICVNTJJGKSV-AREMUKBSSA-N 0 0 509.562 5.576 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955667 553832353 /nfs/dbraw/zinc/83/23/53/553832353.db2.gz OZCGVPFPLKUTKR-XRHLQHRESA-N 0 0 540.641 6.418 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955694 553832898 /nfs/dbraw/zinc/83/28/98/553832898.db2.gz AIEXQUWTZBIGOD-IQMFZBJNSA-N 0 0 532.618 5.468 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000027547350 553832996 /nfs/dbraw/zinc/83/29/96/553832996.db2.gz RCRXMDKEEATDLY-MMTVBGGISA-N 0 0 512.581 5.843 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000027547419 553833043 /nfs/dbraw/zinc/83/30/43/553833043.db2.gz GFBPNEGEURKNGS-JOCHJYFZSA-N 0 0 506.927 6.741 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097955825 553834267 /nfs/dbraw/zinc/83/42/67/553834267.db2.gz SFJJEROOMFYCJG-MUUNZHRXSA-N 0 0 535.556 5.656 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000097955843 553834674 /nfs/dbraw/zinc/83/46/74/553834674.db2.gz LLTBIZLPLMRARC-MQNRADLISA-N 0 0 528.586 5.507 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000027551674 553834702 /nfs/dbraw/zinc/83/47/02/553834702.db2.gz MZOPZCHZUNTRSM-IEZKXTBUSA-N 0 0 524.013 5.063 50 30 KKEARN COc1ccc(CC(=O)Nc2cccc(/C=C/C(=O)c3cccc(NC(=O)Cc4ccc(OC)c(OC)c4)c3)c2)cc1OC ZINC000097956064 553836038 /nfs/dbraw/zinc/83/60/38/553836038.db2.gz MLQZLHQRXPZTTC-SDNWHVSQSA-N 0 0 594.664 5.980 50 30 KKEARN CCCCOc1ccc(C(=O)O/N=C(/c2ccc(OC)c(OC)c2)c2nccc3cc(OC)c(OC)cc32)cc1 ZINC000097956206 553836640 /nfs/dbraw/zinc/83/66/40/553836640.db2.gz XNDMJSIWIBUWRR-IYOYZZHUSA-N 0 0 544.604 6.058 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956536 553839358 /nfs/dbraw/zinc/83/93/58/553839358.db2.gz HATVPPTZTQFWCZ-PWECECGKSA-N 0 0 544.585 5.125 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5ccc6ccccc6c5)n42)COC(C)(C)C3)cc1 ZINC000097956698 553840755 /nfs/dbraw/zinc/84/07/55/553840755.db2.gz MVPZINCNDDAFQE-UHFFFAOYSA-N 0 0 548.672 6.388 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097956708 553841099 /nfs/dbraw/zinc/84/10/99/553841099.db2.gz XJISNQOQOJPWLD-GDLZYMKVSA-N 0 0 534.568 5.210 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097956852 553842543 /nfs/dbraw/zinc/84/25/43/553842543.db2.gz AUSBMIBQPFLGCQ-HSZRJFAPSA-N 0 0 532.618 5.457 50 30 KKEARN C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028701758 553843305 /nfs/dbraw/zinc/84/33/05/553843305.db2.gz QLYKJCMUNUWAGO-GAJHUEQPSA-N 0 0 515.963 6.314 50 30 investigational KKEARN CCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097956974 553843315 /nfs/dbraw/zinc/84/33/15/553843315.db2.gz GEVXDYNNTZMSLQ-MNNSJKJDSA-N 0 0 534.578 7.328 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000097957171 553844779 /nfs/dbraw/zinc/84/47/79/553844779.db2.gz DRMKUZIJEHYCMW-WEZIJMHWSA-N 0 0 591.590 9.218 50 30 KKEARN CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029491251 553845063 /nfs/dbraw/zinc/84/50/63/553845063.db2.gz BTNKCNDQEXUDNC-FMFFXOCNSA-N 0 0 651.790 5.574 50 30 KKEARN C=CCOc1c(I)cc(I)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000029747815 553848937 /nfs/dbraw/zinc/84/89/37/553848937.db2.gz FDHLIWYWZWLNFS-ZMOGYAJESA-N 0 0 599.210 5.009 50 30 KKEARN O=[N+]([O-])c1cccc(CN=Nc2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)c1 ZINC000030732502 553855934 /nfs/dbraw/zinc/85/59/34/553855934.db2.gz ZPLWMWQBENTKOW-MBTHVWNTSA-N 0 0 509.448 5.637 50 30 KKEARN CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC ZINC000030731360 553856008 /nfs/dbraw/zinc/85/60/08/553856008.db2.gz JFBCSFJKETUREV-LJAQVGFWSA-N 0 0 512.816 8.836 50 30 endogenous,in-man KKEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000097958905 553858763 /nfs/dbraw/zinc/85/87/63/553858763.db2.gz HHCFRVCCOQONOH-YICFVICHSA-N 0 0 526.061 7.090 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3cc(C)cc(C)c3)c(OCC)c2)SC1=S ZINC000097959131 553861068 /nfs/dbraw/zinc/86/10/68/553861068.db2.gz CYOKYLAOHIEGSN-JCMHNJIXSA-N 0 0 548.524 6.310 50 30 KKEARN CCC[C@@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000031902252 553862065 /nfs/dbraw/zinc/86/20/65/553862065.db2.gz WTMUXVDKPPSSBO-UTBFJIECSA-N 0 0 510.457 6.245 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Br)ccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 ZINC000097959377 553863316 /nfs/dbraw/zinc/86/33/16/553863316.db2.gz WFMPFVUBSRWUON-NBKNYSPXSA-N 0 0 538.489 6.636 50 30 KKEARN COc1cccc(OCc2cc([C@@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CCC4)ccc2OC)c1 ZINC000097959818 553866058 /nfs/dbraw/zinc/86/60/58/553866058.db2.gz GZMIZNHHQAGATD-SSEXGKCCSA-N 0 0 539.632 5.593 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccc(F)c(Cl)c1 ZINC000097959807 553866171 /nfs/dbraw/zinc/86/61/71/553866171.db2.gz UWVNKZXFHXWSOB-QCBOHVIISA-N 0 0 638.139 7.770 50 30 KKEARN O=C1N/C(=N\N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000097959784 553866191 /nfs/dbraw/zinc/86/61/91/553866191.db2.gz BURYFFRDICPOEP-KIZAIXKYSA-N 0 0 533.629 6.018 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Br ZINC000097959826 553866392 /nfs/dbraw/zinc/86/63/92/553866392.db2.gz IWACFBNFVOQVJN-SRZZPIQSSA-N 0 0 559.272 7.098 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959848 553866452 /nfs/dbraw/zinc/86/64/52/553866452.db2.gz ANIVRKKSNYWGCI-JIYROHSKSA-N 0 0 657.664 7.534 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1c(F)c(F)cc(F)c1F ZINC000097959850 553866489 /nfs/dbraw/zinc/86/64/89/553866489.db2.gz ANIVRKKSNYWGCI-JPQMRUPTSA-N 0 0 657.664 7.534 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)cc1OCC ZINC000097960173 553868812 /nfs/dbraw/zinc/86/88/12/553868812.db2.gz XVCFDGYTFBKQKF-GTATZBBQSA-N 0 0 566.683 6.247 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc(I)c3)S/C2=N\c2ccc(F)cc2)cc1 ZINC000097960254 553869644 /nfs/dbraw/zinc/86/96/44/553869644.db2.gz WTOYDCFXZBAFDX-PCKLGSBKSA-N 0 0 603.457 5.642 50 30 KKEARN COc1ccc(CCN2C(=O)[C@H](CC(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000097960291 553869881 /nfs/dbraw/zinc/86/98/81/553869881.db2.gz OZPACPGJXCPQAS-IOYDYCAWSA-N 0 0 542.032 5.699 50 30 KKEARN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000097960422 553871340 /nfs/dbraw/zinc/87/13/40/553871340.db2.gz XLTSNRURHUALSJ-FMCGGJTJSA-N 0 0 566.839 6.045 50 30 KKEARN Ic1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(I)c4)cc3)cc2)c1 ZINC000097960670 553873311 /nfs/dbraw/zinc/87/33/11/553873311.db2.gz BJGICINPFNBBNL-YAGSLNJISA-N 0 0 628.251 8.189 50 30 KKEARN N#Cc1ccccc1COc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000097960994 553874792 /nfs/dbraw/zinc/87/47/92/553874792.db2.gz AZRZZXXBXVZZCG-MUFRIFMGSA-N 0 0 555.270 6.249 50 30 KKEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000097961224 553876018 /nfs/dbraw/zinc/87/60/18/553876018.db2.gz YGOUBNYUSFFVKV-UHFFFAOYSA-N 0 0 534.450 5.187 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(OC)cc2)cc1 ZINC000097962018 553882318 /nfs/dbraw/zinc/88/23/18/553882318.db2.gz HKKREIFQJHWHQG-AXPYDQDRSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1 ZINC000097962022 553882440 /nfs/dbraw/zinc/88/24/40/553882440.db2.gz CLVDCEUTCZFHRF-PZOLXMAOSA-N 0 0 557.614 5.854 50 30 KKEARN Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)C=Cc3ccc4c(c3)OCO4)c3cc(Br)ccc32)c1 ZINC000097962082 553882830 /nfs/dbraw/zinc/88/28/30/553882830.db2.gz RLCCQGMMLAAEAK-XTCKYKGNSA-N 0 0 534.406 5.202 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962054 553882841 /nfs/dbraw/zinc/88/28/41/553882841.db2.gz SMMVTBPJYJFCAL-DTUGYKJQSA-N 0 0 573.609 6.140 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@@](O)(CC(=O)C=Cc2ccc3c(c2)OCO3)C1=O ZINC000097962080 553882867 /nfs/dbraw/zinc/88/28/67/553882867.db2.gz WRMCJEYPDWILPK-QLKTXIGYSA-N 0 0 562.460 6.017 50 30 KKEARN O=C(/C=C/c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc1)c1ccccc1 ZINC000097962191 553883555 /nfs/dbraw/zinc/88/35/55/553883555.db2.gz ZMYPSUPUSXICHM-AQMGIBEVSA-N 0 0 576.612 8.051 50 30 KKEARN O=C(Oc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(Br)cc2)NC1=O)c1cccc2ccccc21 ZINC000097962932 553886023 /nfs/dbraw/zinc/88/60/23/553886023.db2.gz BYTNOHSCPNPMAI-VEILYXNESA-N 0 0 579.475 7.866 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000097964129 553896596 /nfs/dbraw/zinc/89/65/96/553896596.db2.gz LCUXITNUTBMNPB-KJRGEGHNSA-N 0 0 561.284 8.747 50 30 KKEARN Cc1ccc(COc2c(Br)cc(CN=Nc3nc(Nc4cccc(C)c4C)nc(N4CCC(C)CC4)n3)cc2Br)cc1 ZINC000097965057 553902478 /nfs/dbraw/zinc/90/24/78/553902478.db2.gz AZFCNVMGGDORHQ-MWBNBJEGSA-N 0 0 693.488 8.327 50 30 KKEARN O=S(=O)(N/N=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccc(Br)cc1 ZINC000097965355 553904175 /nfs/dbraw/zinc/90/41/75/553904175.db2.gz GKYGYDAOFXVAIQ-AQHIEDMUSA-N 0 0 538.634 5.894 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965445 553904738 /nfs/dbraw/zinc/90/47/38/553904738.db2.gz LSCAIUGOFICGHC-VSPBFFAOSA-N 0 0 527.559 5.351 50 30 KKEARN O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)C1(CN=Nc3nc4ccccc4s3)c3ccccc3C2c2ccccc21 ZINC000097965474 553904796 /nfs/dbraw/zinc/90/47/96/553904796.db2.gz BGWVDCDNSDMHHU-VFQOMSRHSA-N 0 0 526.621 5.945 50 30 KKEARN CC(C)OC(=O)c1ccc(-c2ccc(C=Nn3cnnc3N=NCc3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)o2)cc1 ZINC000097965501 553905061 /nfs/dbraw/zinc/90/50/61/553905061.db2.gz BMGRHSYABAWZHL-OYIWDPFXSA-N 0 0 594.628 6.257 50 30 KKEARN O=S(=O)(N/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1)c1ccccc1 ZINC000097965616 553905560 /nfs/dbraw/zinc/90/55/60/553905560.db2.gz KNVUVQIFGIJZSG-YDZHTSKRSA-N 0 0 524.234 5.103 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccccc2OC)cc1 ZINC000097965896 553905827 /nfs/dbraw/zinc/90/58/27/553905827.db2.gz DQVGDZVOGGACFA-AXPYDQDRSA-N 0 0 573.613 5.472 50 30 KKEARN CCNc1ccc(C#N)cc1/N=C1\S/C(=C2\Sc3ccc(Cl)cc3N2C)C(=O)N1Cc1ccccc1 ZINC000097966110 553907043 /nfs/dbraw/zinc/90/70/43/553907043.db2.gz YONUHYWRFGIFGE-NTEDCIABSA-N 0 0 532.094 6.818 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000097966148 553907397 /nfs/dbraw/zinc/90/73/97/553907397.db2.gz MRXPWHKJWVIFNP-MJRAMTBZSA-N 0 0 579.527 8.916 50 30 KKEARN Cc1ccc(N2C(=O)C[C@@H](SC(=NCCc3ccccc3)Nc3ccc(OC(F)(F)Cl)cc3)C2=O)c(C)c1 ZINC000097966142 553907402 /nfs/dbraw/zinc/90/74/02/553907402.db2.gz VSYDXTCZUVFPLJ-XMMPIXPASA-N 0 0 558.050 6.356 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000097966275 553907868 /nfs/dbraw/zinc/90/78/68/553907868.db2.gz ABJDNVAWLOJZLK-LBQSHXOCSA-N 0 0 570.714 8.622 50 30 KKEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000097966309 553908160 /nfs/dbraw/zinc/90/81/60/553908160.db2.gz QDPXKOGOFHWHMF-SBRAMGTBSA-N 0 0 541.072 7.732 50 30 KKEARN CCCCCOc1ccc(/C=N/c2cnc(-c3ccc(-c4ncc(/N=C/c5ccc(OCCCCC)cc5)cn4)cc3)nc2)cc1 ZINC000097966523 553909329 /nfs/dbraw/zinc/90/93/29/553909329.db2.gz RZBOWYLEYJLDML-DBMXBCQFSA-N 0 0 612.778 9.240 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966751 553910012 /nfs/dbraw/zinc/91/00/12/553910012.db2.gz DJURNFKRNRYDTI-SSEXGKCCSA-N 0 0 627.620 9.417 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000097966805 553910313 /nfs/dbraw/zinc/91/03/13/553910313.db2.gz KTJTXTKWRUTZFE-QIMXVHQCSA-N 0 0 574.762 9.054 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966867 553911246 /nfs/dbraw/zinc/91/12/46/553911246.db2.gz CKCDOWLWXQZWIN-UUWRZZSWSA-N 0 0 582.656 7.540 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000097966874 553911540 /nfs/dbraw/zinc/91/15/40/553911540.db2.gz DXYJHNMWZWDCJK-LJAQVGFWSA-N 0 0 605.529 5.637 50 30 KKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CN(Cc2ccccc2)C/C1=C\c1ccc(Cl)cc1Cl ZINC000033247242 553911683 /nfs/dbraw/zinc/91/16/83/553911683.db2.gz OWZHBEXAKKWMCT-CLVAPQHMSA-N 0 0 503.256 7.852 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000097966904 553911931 /nfs/dbraw/zinc/91/19/31/553911931.db2.gz GJHOIVAKCYIXDO-WJOKGBTCSA-N 0 0 548.639 7.140 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000097966913 553911980 /nfs/dbraw/zinc/91/19/80/553911980.db2.gz HEEQRHZPHKVVPP-LJAQVGFWSA-N 0 0 544.623 5.014 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966987 553912637 /nfs/dbraw/zinc/91/26/37/553912637.db2.gz YPTWPZJQSOKWQL-JGCGQSQUSA-N 0 0 642.675 9.526 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000097967013 553912713 /nfs/dbraw/zinc/91/27/13/553912713.db2.gz PGTJNLXOATZFDX-JRPXNJEYSA-N 0 0 556.659 6.007 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097967096 553913982 /nfs/dbraw/zinc/91/39/82/553913982.db2.gz VJOIBDUYMQIKCH-LJAQVGFWSA-N 0 0 548.724 5.628 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097967249 553915733 /nfs/dbraw/zinc/91/57/33/553915733.db2.gz CDFSDEPLHUZHRW-SSEXGKCCSA-N 0 0 557.643 6.060 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967248 553915774 /nfs/dbraw/zinc/91/57/74/553915774.db2.gz KJUYEXJOIBAZRY-BZQUYTCOSA-N 0 0 565.478 7.326 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967233 553915785 /nfs/dbraw/zinc/91/57/85/553915785.db2.gz AOTJTDZCRFGVMY-WHLCRQNOSA-N 0 0 554.668 6.808 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967285 553916198 /nfs/dbraw/zinc/91/61/98/553916198.db2.gz VTOLIRNNZYXPDB-LBEKAKSKSA-N 0 0 598.677 6.375 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967349 553917195 /nfs/dbraw/zinc/91/71/95/553917195.db2.gz MXUDVLQDTJPAEL-MYUZEXMDSA-N 0 0 601.725 7.199 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1)c1ccc(Cl)cc1Cl ZINC000097967403 553918047 /nfs/dbraw/zinc/91/80/47/553918047.db2.gz YGVSQVPZSRHFHE-IPBVOBEMSA-N 0 0 537.255 8.089 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967417 553918090 /nfs/dbraw/zinc/91/80/90/553918090.db2.gz QMGXVMABECFHJD-WHLCRQNOSA-N 0 0 554.668 6.890 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967415 553918102 /nfs/dbraw/zinc/91/81/02/553918102.db2.gz QMGXVMABECFHJD-HMILPKGGSA-N 0 0 554.668 6.890 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967450 553918597 /nfs/dbraw/zinc/91/85/97/553918597.db2.gz AUVUHUUSWSYYMU-WENCNXQZSA-N 0 0 598.721 7.226 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000097967463 553918823 /nfs/dbraw/zinc/91/88/23/553918823.db2.gz DFOVUANHJZWTTG-SSEXGKCCSA-N 0 0 582.623 9.509 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967484 553918910 /nfs/dbraw/zinc/91/89/10/553918910.db2.gz JPOXTEIXQAKOMZ-DFXYEROKSA-N 0 0 556.659 6.151 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967462 553918949 /nfs/dbraw/zinc/91/89/49/553918949.db2.gz QDZGQFHWGBFRCO-NDEPHWFRSA-N 0 0 586.666 6.428 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967512 553919349 /nfs/dbraw/zinc/91/93/49/553919349.db2.gz ZERQKSOSMFROFS-XDBZFTIUSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967492 553919538 /nfs/dbraw/zinc/91/95/38/553919538.db2.gz OZCLRDYLTMVFHI-JMQGSBJISA-N 0 0 589.113 7.625 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967530 553919727 /nfs/dbraw/zinc/91/97/27/553919727.db2.gz FHOPAFLEIUHOSK-WENCNXQZSA-N 0 0 574.658 7.503 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967534 553919869 /nfs/dbraw/zinc/91/98/69/553919869.db2.gz CTGKVTOMPLIJOC-SOKVYYICSA-N 0 0 590.698 6.338 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967560 553920272 /nfs/dbraw/zinc/92/02/72/553920272.db2.gz JAPJTOWDOVEXMI-NDEPHWFRSA-N 0 0 570.667 6.646 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967597 553920601 /nfs/dbraw/zinc/92/06/01/553920601.db2.gz LMJKMAVCZXWNGS-GEFUHLBYSA-N 0 0 628.747 7.379 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967635 553920975 /nfs/dbraw/zinc/92/09/75/553920975.db2.gz XFXBPYNQAKCALO-HKBQPEDESA-N 0 0 628.747 7.291 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097967671 553921480 /nfs/dbraw/zinc/92/14/80/553921480.db2.gz GNFQORWHTZHRIM-OWJWWREXSA-N 0 0 561.457 6.474 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000097967758 553922782 /nfs/dbraw/zinc/92/27/82/553922782.db2.gz CNCCQIDNTHILKS-IBBHUPRXSA-N 0 0 554.499 8.088 50 30 KKEARN CCCCCc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1 ZINC000033353044 553922899 /nfs/dbraw/zinc/92/28/99/553922899.db2.gz IZGVFACATXNLFF-UHFFFAOYSA-N 0 0 543.367 8.677 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967778 553923128 /nfs/dbraw/zinc/92/31/28/553923128.db2.gz BSGKPVVDFAYZMA-LJAQVGFWSA-N 0 0 614.676 6.213 50 30 KKEARN CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000033353136 553923123 /nfs/dbraw/zinc/92/31/23/553923123.db2.gz FQWZSLCGMVGFNV-UHFFFAOYSA-N 0 0 583.638 8.261 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967980 553925732 /nfs/dbraw/zinc/92/57/32/553925732.db2.gz BPKNZSOEMHGBBX-SOKVYYICSA-N 0 0 558.631 6.721 50 30 KKEARN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000033353705 553926453 /nfs/dbraw/zinc/92/64/53/553926453.db2.gz KKXMVUGWRAOVST-RUZDIDTESA-N 0 0 536.934 5.078 50 30 KKEARN Cc1nc(SCC(=O)Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1 ZINC000033353808 553927156 /nfs/dbraw/zinc/92/71/56/553927156.db2.gz WPCMJUUWBUUEQK-UHFFFAOYSA-N 0 0 636.369 7.437 50 30 KKEARN Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3I)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1 ZINC000033353789 553927161 /nfs/dbraw/zinc/92/71/61/553927161.db2.gz FJWQHXQAPBKUCW-WEWMWRJBSA-N 0 0 541.392 6.009 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1 ZINC000097968115 553928019 /nfs/dbraw/zinc/92/80/19/553928019.db2.gz DQKMCYZDIWFCDV-XMAFVCMMSA-N 0 0 529.765 9.146 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968163 553928238 /nfs/dbraw/zinc/92/82/38/553928238.db2.gz WEBPSHQTYZVXAD-JMQGSBJISA-N 0 0 572.658 7.111 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCCCOC(=O)C3=C(C)NC4=C(C(=O)CC(C)(C)C4)[C@@H]3c3ccc(C)s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000033354209 553928961 /nfs/dbraw/zinc/92/89/61/553928961.db2.gz CLWNJLHIWGUREQ-LQFQNGICSA-N 0 0 716.966 8.201 50 30 KKEARN CCOc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]23)cc1 ZINC000033354275 553929241 /nfs/dbraw/zinc/92/92/41/553929241.db2.gz SNZMYKOCJBYYBR-CRMQRMCISA-N 0 0 542.635 6.437 50 30 KKEARN CC(C)(C)[C@H](NC1=NC(=S)N(c2cccc(C(F)(F)F)c2)C1(C)C)[C@H](Oc1ccc(Cl)cc1)n1cncn1 ZINC000033354436 553929746 /nfs/dbraw/zinc/92/97/46/553929746.db2.gz PCXHXMOAMZEWBN-RTWAWAEBSA-N 0 0 565.065 6.514 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)c1c3nc(CO/N=C\c4ccccc4)nn3cnc1O2 ZINC000097968285 553929855 /nfs/dbraw/zinc/92/98/55/553929855.db2.gz AKNMBDAHQFZXLP-UXUKFEMZSA-N 0 0 548.006 6.108 50 30 KKEARN O=C(NCCCCNC(=O)O[C@@H](F)C(F)(F)C(F)(F)C(F)(F)CF)O[C@H](F)C(F)(F)C(F)(F)C(F)(F)CF ZINC000033354469 553929964 /nfs/dbraw/zinc/92/99/64/553929964.db2.gz CINZCEAKLJWYMZ-OCAPTIKFSA-N 0 0 604.282 5.561 50 30 KKEARN O=C(N[C@@H](c1ccc(Br)cc1)[C@@H](/N=C/c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000033354486 553930027 /nfs/dbraw/zinc/93/00/27/553930027.db2.gz GHWKKSYJCZXFKZ-KWICDZTMSA-N 0 0 720.097 9.068 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033354678 553930784 /nfs/dbraw/zinc/93/07/84/553930784.db2.gz QHALWPNBLRJJLP-CYFIQEHSSA-N 0 0 632.713 7.022 50 30 KKEARN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000033354709 553930963 /nfs/dbraw/zinc/93/09/63/553930963.db2.gz IDXCCYAGSIZIIS-CPJLOUKISA-N 0 0 531.361 7.456 50 30 KKEARN O=C(Oc1c(Br)cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000033354717 553930971 /nfs/dbraw/zinc/93/09/71/553930971.db2.gz YBNAKORNBXKVNJ-LTLYVPFYSA-N 0 0 653.243 8.413 50 30 KKEARN Clc1c(Cl)c(Cl)c(NCC/N=C/c2ccc(/C=N/CCNc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc2)c(Cl)c1Cl ZINC000033354723 553931200 /nfs/dbraw/zinc/93/12/00/553931200.db2.gz SVAAVHFTZSBKFT-DCACQNQGSA-N 0 0 714.950 11.283 50 30 KKEARN O=C(NC([C@H](C(=O)NCc1ccccc1)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)O1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000033354981 553932606 /nfs/dbraw/zinc/93/26/06/553932606.db2.gz JBDJVNMNTRHWGL-MRXNPFEDSA-N 0 0 692.413 6.095 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2Br)nnc1-c1cccnc1 ZINC000033354972 553932614 /nfs/dbraw/zinc/93/26/14/553932614.db2.gz UHLBSNZBEKZAOM-UHFFFAOYSA-N 0 0 564.553 6.487 50 30 KKEARN O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4cc(N=Cc5cc6c(cc5[N+](=O)[O-])OCO6)ccc4[nH]3)cc1)OCO2 ZINC000033355028 553932880 /nfs/dbraw/zinc/93/28/80/553932880.db2.gz WRNCNDKXCQOGJE-SLLOIGAGSA-N 0 0 578.497 6.005 50 30 KKEARN N#Cc1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nsc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033355139 553933288 /nfs/dbraw/zinc/93/32/88/553933288.db2.gz LRHGUHPMUPHQCL-UHFFFAOYSA-N 0 0 556.823 5.369 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1)c1ccc(Br)cc1 ZINC000097968550 553933302 /nfs/dbraw/zinc/93/33/02/553933302.db2.gz ONGLWEAYVQFZPA-NNLKUIAGSA-N 0 0 617.507 7.758 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000033355185 553933421 /nfs/dbraw/zinc/93/34/21/553933421.db2.gz SHBHLLGDUVTMBM-VXJJZJMSSA-N 0 0 668.718 7.092 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000033355187 553933424 /nfs/dbraw/zinc/93/34/24/553933424.db2.gz SHBHLLGDUVTMBM-JBUCUFAESA-N 0 0 668.718 7.092 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(OC(F)(F)Cl)cc1 ZINC000097968580 553933433 /nfs/dbraw/zinc/93/34/33/553933433.db2.gz NGXDLYKCNMZHES-LAJDHHRJSA-N 0 0 579.794 5.439 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccccc2)cc1 ZINC000097968600 553933777 /nfs/dbraw/zinc/93/37/77/553933777.db2.gz GBRKHMRUBPRBCJ-HAIIOQGTSA-N 0 0 559.644 5.201 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000033355301 553933943 /nfs/dbraw/zinc/93/39/43/553933943.db2.gz AYJLESOLIIGPSC-OWNKRRAQSA-N 0 0 511.224 7.594 50 30 KKEARN COc1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2-c2ccccc2)cc1 ZINC000097968720 553933993 /nfs/dbraw/zinc/93/39/93/553933993.db2.gz SZHDWTIFMVLJBN-CCBYXVJQSA-N 0 0 554.027 5.612 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097968786 553934334 /nfs/dbraw/zinc/93/43/34/553934334.db2.gz ULWYYPBIFOCBNK-PMERELPUSA-N 0 0 540.660 5.183 50 30 KKEARN CCCC[S@](=O)C[C@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000033355422 553934722 /nfs/dbraw/zinc/93/47/22/553934722.db2.gz HKYCPOWLUUINRA-XFSFLGPDSA-N 0 0 529.525 6.052 50 30 KKEARN CCCC[S@](=O)C[C@@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000033355419 553934742 /nfs/dbraw/zinc/93/47/42/553934742.db2.gz HKYCPOWLUUINRA-GFJKYASSSA-N 0 0 529.525 6.052 50 30 KKEARN Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033355547 553935488 /nfs/dbraw/zinc/93/54/88/553935488.db2.gz QMRNBYKQPFBUES-UHFFFAOYSA-N 0 0 562.720 6.654 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969038 553935890 /nfs/dbraw/zinc/93/58/90/553935890.db2.gz JLYLVICPDVDMBV-UVDDSOTQSA-N 0 0 555.671 6.265 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969154 553937493 /nfs/dbraw/zinc/93/74/93/553937493.db2.gz ARVUTJUCXDOALP-XDBZFTIUSA-N 0 0 570.667 6.508 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097969229 553938382 /nfs/dbraw/zinc/93/83/82/553938382.db2.gz MVBXKLXOAIEODF-WJOKGBTCSA-N 0 0 578.750 8.663 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969219 553938447 /nfs/dbraw/zinc/93/84/47/553938447.db2.gz PCPYJZJBKHZVQZ-KTBRYMIGSA-N 0 0 618.711 7.380 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969370 553940101 /nfs/dbraw/zinc/94/01/01/553940101.db2.gz VABLZELVRQNSCG-WHLCRQNOSA-N 0 0 552.652 6.584 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097969384 553940445 /nfs/dbraw/zinc/94/04/45/553940445.db2.gz KINVHWKBDIGARP-GDLZYMKVSA-N 0 0 559.615 5.050 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000097969460 553941243 /nfs/dbraw/zinc/94/12/43/553941243.db2.gz UMGFEBURZZANBJ-SSEXGKCCSA-N 0 0 617.068 10.162 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000097969529 553941910 /nfs/dbraw/zinc/94/19/10/553941910.db2.gz FOQOCPKLYJPGJE-UGDMGKLASA-N 0 0 555.671 6.612 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969792 553945012 /nfs/dbraw/zinc/94/50/12/553945012.db2.gz GBKLGWICEKKVEJ-SSEXGKCCSA-N 0 0 630.719 6.827 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969836 553945641 /nfs/dbraw/zinc/94/56/41/553945641.db2.gz CKWHABROIRLQIV-WGDIFIGCSA-N 0 0 604.681 5.698 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969901 553946793 /nfs/dbraw/zinc/94/67/93/553946793.db2.gz UKBVFTINNSXZCI-HKBQPEDESA-N 0 0 562.751 8.963 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969905 553946876 /nfs/dbraw/zinc/94/68/76/553946876.db2.gz VVECYNPUMUNUOT-RBSBEOHCSA-N 0 0 619.139 7.634 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969955 553947298 /nfs/dbraw/zinc/94/72/98/553947298.db2.gz YGJCBRPRXSFJQS-MUUNZHRXSA-N 0 0 570.667 6.584 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969995 553948230 /nfs/dbraw/zinc/94/82/30/553948230.db2.gz ARUVKLHDGYVQME-XFSFLGPDSA-N 0 0 642.774 7.625 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970039 553948493 /nfs/dbraw/zinc/94/84/93/553948493.db2.gz WMQTYBYLZGXGMK-DXPJPUQTSA-N 0 0 574.655 5.724 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970022 553948570 /nfs/dbraw/zinc/94/85/70/553948570.db2.gz LIORHOOMLOGPNK-WRHNGFHOSA-N 0 0 589.113 7.625 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970180 553950528 /nfs/dbraw/zinc/95/05/28/553950528.db2.gz AQUGOHYNMIRTIO-AFJIDDCJSA-N 0 0 646.762 6.724 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970194 553950838 /nfs/dbraw/zinc/95/08/38/553950838.db2.gz RODFQFMQMKGUDI-GDLZYMKVSA-N 0 0 616.692 6.437 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970222 553951249 /nfs/dbraw/zinc/95/12/49/553951249.db2.gz BYRZQMYNSNSTJW-SONOPUAISA-N 0 0 584.694 6.836 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970232 553951269 /nfs/dbraw/zinc/95/12/69/553951269.db2.gz DONRJXXMKFYYOL-UKPGIYTDSA-N 0 0 633.795 8.213 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970213 553951292 /nfs/dbraw/zinc/95/12/92/553951292.db2.gz WIYCYUVWPIOKAT-QUGAMOGWSA-N 0 0 606.697 5.922 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970255 553951596 /nfs/dbraw/zinc/95/15/96/553951596.db2.gz NYVFOLBPVSZCDS-QTEAWJPNSA-N 0 0 633.166 8.024 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970266 553951650 /nfs/dbraw/zinc/95/16/50/553951650.db2.gz SWPMDHAPUGPLSN-ICACTRECSA-N 0 0 626.775 7.843 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970315 553952363 /nfs/dbraw/zinc/95/23/63/553952363.db2.gz PIXNNCFZLJJBGW-MNAQKMTRSA-N 0 0 618.711 7.380 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970333 553952995 /nfs/dbraw/zinc/95/29/95/553952995.db2.gz NNGGFUBNPWOUDQ-IIMAJNMQSA-N 0 0 582.722 7.588 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970414 553953799 /nfs/dbraw/zinc/95/37/99/553953799.db2.gz UYTIXVIHQMTKSH-CLYVBNDRSA-N 0 0 618.180 7.714 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000033358249 553953937 /nfs/dbraw/zinc/95/39/37/553953937.db2.gz JGKRXGLYGYOROR-JOCIVYRRSA-N 0 0 634.172 8.075 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097970465 553954629 /nfs/dbraw/zinc/95/46/29/553954629.db2.gz BRPKTQXYDFBSKG-RCRUUEGKSA-N 0 0 573.690 5.843 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970459 553954651 /nfs/dbraw/zinc/95/46/51/553954651.db2.gz PCEVXAMAPWSBRQ-VKGTZQKMSA-N 0 0 610.688 6.314 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970512 553954890 /nfs/dbraw/zinc/95/48/90/553954890.db2.gz RRCHHMLAVJLNHH-HPGBDJQBSA-N 0 0 605.112 7.244 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970496 553955075 /nfs/dbraw/zinc/95/50/75/553955075.db2.gz LAEUMNBBMDOXOM-UULLZXFKSA-N 0 0 586.666 6.209 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970529 553955613 /nfs/dbraw/zinc/95/56/13/553955613.db2.gz WTABNMHZJPOIEZ-GDLZYMKVSA-N 0 0 600.693 6.818 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970569 553955912 /nfs/dbraw/zinc/95/59/12/553955912.db2.gz FSZLIGBAXAQBIQ-XBBWARJSSA-N 0 0 584.694 6.899 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970553 553956037 /nfs/dbraw/zinc/95/60/37/553956037.db2.gz DUIUSWNCWUHUMV-OWJWWREXSA-N 0 0 578.643 5.142 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970623 553956702 /nfs/dbraw/zinc/95/67/02/553956702.db2.gz WDBFLAWGLSOKPX-WENCNXQZSA-N 0 0 598.721 7.289 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970654 553957089 /nfs/dbraw/zinc/95/70/89/553957089.db2.gz GLKKYFXQPVULNJ-SSEXGKCCSA-N 0 0 630.719 6.683 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097970702 553957563 /nfs/dbraw/zinc/95/75/63/553957563.db2.gz WZKVPONGTKWLDM-PBBNMVCDSA-N 0 0 559.663 5.453 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097970686 553957599 /nfs/dbraw/zinc/95/75/99/553957599.db2.gz GHPPAQVVACKCTE-UGDMGKLASA-N 0 0 579.653 5.463 50 30 KKEARN COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N/OC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000033384719 553958164 /nfs/dbraw/zinc/95/81/64/553958164.db2.gz DMJGAUMNMHACOH-ZRGSRPPYSA-N 0 0 506.955 5.857 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097970751 553958336 /nfs/dbraw/zinc/95/83/36/553958336.db2.gz FITVUTYSXUATKF-XMMPIXPASA-N 0 0 563.473 6.776 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970755 553958341 /nfs/dbraw/zinc/95/83/41/553958341.db2.gz NFCLWJVXVSQVGD-HMILPKGGSA-N 0 0 568.651 6.227 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097970943 553959532 /nfs/dbraw/zinc/95/95/32/553959532.db2.gz VBBYEDRFOMDYGO-URAOTHONSA-N 0 0 556.659 6.151 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(F)c1 ZINC000097970939 553959577 /nfs/dbraw/zinc/95/95/77/553959577.db2.gz MVMXKGWJNGMQIJ-YWYRPYEBSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000097970940 553959636 /nfs/dbraw/zinc/95/96/36/553959636.db2.gz MVMXKGWJNGMQIJ-QIMXVHQCSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1Cl ZINC000097970992 553960238 /nfs/dbraw/zinc/96/02/38/553960238.db2.gz NRWZBFDRRHAHOM-SSEXGKCCSA-N 0 0 617.068 10.162 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000097971884 553963444 /nfs/dbraw/zinc/96/34/44/553963444.db2.gz AQUAIMODUKITAJ-MVSFAKPFSA-N 0 0 541.644 7.073 50 30 biogenic KKEARN CCCCCCCCOc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000097971887 553963682 /nfs/dbraw/zinc/96/36/82/553963682.db2.gz AQUAIMODUKITAJ-QCENPCRXSA-N 0 0 541.644 7.073 50 30 biogenic KKEARN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4[nH]c(-c5ccc(C#Cc6ccccc6)cc5)nc4-c4ccccc4)cc3)[nH]2)cc1)c1ccccc1 ZINC000097976898 553973075 /nfs/dbraw/zinc/97/30/75/553973075.db2.gz VAOJELRJODEQFU-UHFFFAOYSA-N 0 0 714.872 11.934 50 30 KKEARN FC(F)(F)C(Oc1ccc(-c2ccccc2)cc1)=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000097976935 553973440 /nfs/dbraw/zinc/97/34/40/553973440.db2.gz GTHDRZKHXWGGEH-UHFFFAOYSA-N 0 0 600.268 9.215 50 30 KKEARN COc1cccc(OS(=O)(=O)c2ccc3c(c2)C(=NNc2ccccc2)c2cc(S(=O)(=O)Oc4cccc(OC)c4)ccc2-3)c1 ZINC000097976965 553973636 /nfs/dbraw/zinc/97/36/36/553973636.db2.gz FIYQXBYEBWTYPU-UHFFFAOYSA-N 0 0 642.711 6.084 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)O[C@@H](C)CC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000033930611 553977062 /nfs/dbraw/zinc/97/70/62/553977062.db2.gz UTYBJLHSLRKEDE-KSPBWIRNSA-N 0 0 519.638 5.806 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000033930619 553977130 /nfs/dbraw/zinc/97/71/30/553977130.db2.gz CXNQCSKAVCVGDQ-TUZCJGOLSA-N 0 0 510.030 6.061 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)COC(=O)c4cccc(S(=O)(=O)N5CCc6ccccc65)c4)sc3C(C)(C)C2)cc1 ZINC000097979358 553978447 /nfs/dbraw/zinc/97/84/47/553978447.db2.gz AXCCZMUQXIZLLI-OUKQBFOZSA-N 0 0 693.847 7.343 50 30 KKEARN O=C(C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979447 553979459 /nfs/dbraw/zinc/97/94/59/553979459.db2.gz NWTSNUBBHYHQAE-ISLYRVAYSA-N 0 0 665.728 5.092 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000034252117 553981144 /nfs/dbraw/zinc/98/11/44/553981144.db2.gz FBSVHROTXUJUHS-GURJRTOWSA-N 0 0 512.775 7.749 50 30 KKEARN COc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1OC ZINC000034255174 553981225 /nfs/dbraw/zinc/98/12/25/553981225.db2.gz NVLYZQNVGIFIPK-MSVKWORNSA-N 0 0 519.645 5.891 50 30 KKEARN CC(C)(C)[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2cccc(C#N)c2)/C(=C\c2cccs2)C1 ZINC000097979660 553981379 /nfs/dbraw/zinc/98/13/79/553981379.db2.gz OZJRUDYHGQNYTK-DYEBDLIZSA-N 0 0 535.669 7.113 50 30 KKEARN Cc1ccc(N(CCC#N)C(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2c(F)cccc2Cl)CC3)cc1 ZINC000097979801 553982300 /nfs/dbraw/zinc/98/23/00/553982300.db2.gz AKDNEFRVSNUAHH-DYTRJAOYSA-N 0 0 554.021 6.926 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(OCC)c(OC)c3)C2=O)ccc1Cl ZINC000097980364 553987805 /nfs/dbraw/zinc/98/78/05/553987805.db2.gz UUWNDSOZEMUZGZ-DIBXZPPDSA-N 0 0 656.182 5.595 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000097980418 553988475 /nfs/dbraw/zinc/98/84/75/553988475.db2.gz QJNUTXCIFPAMGP-UHFFFAOYSA-N 0 0 533.053 6.058 50 30 KKEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(S(=O)(=O)N=C4CCCCCN4)cc3)c2n1 ZINC000097980415 553988509 /nfs/dbraw/zinc/98/85/09/553988509.db2.gz ZMILBVYQGXBVIF-UHFFFAOYSA-N 0 0 535.453 5.118 50 30 KKEARN CCN1C/C(=C\c2cccc(NC(=O)C(F)(F)F)c2)C(=O)/C(=C\c2cccc(NC(=O)C(F)(F)F)c2)C1 ZINC000097981174 553992238 /nfs/dbraw/zinc/99/22/38/553992238.db2.gz OJUIKKYMVFHLCC-BUOZRGFLSA-N 0 0 525.449 5.060 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000097981626 553995972 /nfs/dbraw/zinc/99/59/72/553995972.db2.gz DHVNGOGBRYQOCO-HMMYKYKNSA-N 0 0 541.673 6.009 50 30 KKEARN Cc1ccc(Sc2ccc(/C=C/c3cc(-c4ccc(Cl)c(Cl)c4)n4c5ccccc5nc4c3C#N)cc2[N+](=O)[O-])cc1 ZINC000097981638 553995990 /nfs/dbraw/zinc/99/59/90/553995990.db2.gz WICXFZBBIKTQNL-CSKARUKUSA-N 0 0 607.522 9.871 50 30 KKEARN CCCCCCCCCCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCCCCCCCCCC)cc2)cc1 ZINC000097982958 554006681 /nfs/dbraw/zinc/00/66/81/554006681.db2.gz AFRPRMACNDJBMA-UHFFFAOYSA-N 0 0 646.887 8.645 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097983063 554007385 /nfs/dbraw/zinc/00/73/85/554007385.db2.gz RQJHTHUJLRCRFZ-VWLOTQADSA-N 0 0 584.898 9.935 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000097983057 554007449 /nfs/dbraw/zinc/00/74/49/554007449.db2.gz INUHZFCWJZHTRT-SANMLTNESA-N 0 0 520.029 9.481 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000097983777 554011700 /nfs/dbraw/zinc/01/17/00/554011700.db2.gz OVLRWZCVLSHIAM-OAHLLOKOSA-N 0 0 547.587 5.991 50 30 KKEARN Cc1nn(CCC#N)c(NC(=O)c2ccc(Cl)cc2Cl)c1[P@](=O)(Nc1ccc(SC(F)F)cc1)N1CCOCC1 ZINC000097984723 554018228 /nfs/dbraw/zinc/01/82/28/554018228.db2.gz PHGLGHHTFBOCQT-KDXMTYKHSA-N 0 0 629.457 6.242 50 30 KKEARN N#Cc1c(SCc2cccc(Oc3ccccc3)c2)nc2c(c1-c1cccs1)CC/C2=C\c1cccs1 ZINC000097984931 554019276 /nfs/dbraw/zinc/01/92/76/554019276.db2.gz XECVRDPAKPHEAY-RELWKKBWSA-N 0 0 534.731 9.315 50 30 KKEARN C=CCn1c(SCC(=O)NCCCCCCNC(=O)CSc2nc3sc4c(c3c(=O)n2CC=C)CCC4)nc2sc3c(c2c1=O)CCC3 ZINC000097985134 554021123 /nfs/dbraw/zinc/02/11/23/554021123.db2.gz HDIDBJIABQKXFF-UHFFFAOYSA-N 0 0 725.000 5.256 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1CC=C ZINC000097986411 554024043 /nfs/dbraw/zinc/02/40/43/554024043.db2.gz FXPOLJHCWHXENC-UHFFFAOYSA-N 0 0 552.632 5.137 50 30 KKEARN COc1cccc(CO[C@H](CN2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c2ccc(Cl)cc2)c1 ZINC000034915615 554029796 /nfs/dbraw/zinc/02/97/96/554029796.db2.gz ASFIUMJQZLBETJ-MUUNZHRXSA-N 0 0 519.045 5.522 50 30 KKEARN CCCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)NC3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000097995364 554034072 /nfs/dbraw/zinc/03/40/72/554034072.db2.gz WDFLRRHAMIMJBS-JOCHJYFZSA-N 0 0 531.711 6.422 50 30 KKEARN COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1/N=C\c1cc(OC)c(OC)c(OC)c1 ZINC000097997083 554039413 /nfs/dbraw/zinc/03/94/13/554039413.db2.gz BPOIXLRZTPAZDQ-SDEFACTDSA-N 0 0 561.860 5.731 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1ccccc1 ZINC000097997145 554039930 /nfs/dbraw/zinc/03/99/30/554039930.db2.gz LADVAKASJKCARK-UUWRZZSWSA-N 0 0 592.865 8.686 50 30 biogenic KKEARN O=C(Nc1ccc(/N=C/c2ccccc2)cc1Br)c1ccc(C(=O)Nc2ccc(/N=C/c3ccccc3)cc2Br)cc1 ZINC000097997161 554040188 /nfs/dbraw/zinc/04/01/88/554040188.db2.gz MHOJIWFOETZIME-DITNJDIQSA-N 0 0 680.400 9.217 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2cc(Oc3ccccc3)cc(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000097997716 554040283 /nfs/dbraw/zinc/04/02/83/554040283.db2.gz IKPJLLODMLXVPA-UHFFFAOYSA-N 0 0 585.766 9.084 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000097997712 554040302 /nfs/dbraw/zinc/04/03/02/554040302.db2.gz RBGDINURGQRVTO-PMNVOCJDSA-N 0 0 707.844 7.517 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000097999589 554044383 /nfs/dbraw/zinc/04/43/83/554044383.db2.gz VEFKCJDGLIDSOJ-JDXGNMNLSA-N 0 0 612.406 9.193 50 30 KKEARN CSc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000035366074 554044811 /nfs/dbraw/zinc/04/48/11/554044811.db2.gz OYXDAVMKCXOPLR-SOHPDCFESA-N 0 0 505.687 6.721 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3cccc(Br)c3)C2)cc1 ZINC000097999725 554045278 /nfs/dbraw/zinc/04/52/78/554045278.db2.gz VFAOANYDHBAZJF-UDNBHOFDSA-N 0 0 632.385 9.279 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000097999800 554045940 /nfs/dbraw/zinc/04/59/40/554045940.db2.gz CEZRSJBMXRYZSG-XKWLHOGNSA-N 0 0 677.119 8.789 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000097999803 554045968 /nfs/dbraw/zinc/04/59/68/554045968.db2.gz CEZRSJBMXRYZSG-LHAPQZOASA-N 0 0 677.119 8.789 50 30 KKEARN COc1cc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)c(OC)cc1Cl ZINC000097999868 554046510 /nfs/dbraw/zinc/04/65/10/554046510.db2.gz HKXVKOCHUCYKFE-UHFFFAOYSA-N 0 0 607.519 7.236 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000097999931 554047135 /nfs/dbraw/zinc/04/71/35/554047135.db2.gz APYAETNXOGTYNI-UHFFFAOYSA-N 0 0 637.545 7.244 50 30 KKEARN COc1cc([C@H]2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc(OC)c1OC ZINC000035406249 554049340 /nfs/dbraw/zinc/04/93/40/554049340.db2.gz UZIIOVNIFSVFIA-DURBRWELSA-N 0 0 505.574 5.431 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(I)ccc3O)nc(Nc3ccccc3)n2)cc1 ZINC000098001382 554052466 /nfs/dbraw/zinc/05/24/66/554052466.db2.gz PFHMHJHAKNBGME-AFUMVMLFSA-N 0 0 553.364 5.124 50 30 KKEARN C[C@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098001745 554053065 /nfs/dbraw/zinc/05/30/65/554053065.db2.gz BASHIZYUNGPHGV-AJCPBJRWSA-N 0 0 620.661 7.926 50 30 KKEARN CCN=C(Nc1ccc(OC(F)(F)Cl)cc1)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000098003552 554055090 /nfs/dbraw/zinc/05/50/90/554055090.db2.gz KNNQBDQWPUNFQK-INIZCTEOSA-N 0 0 579.794 5.312 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000098003658 554055740 /nfs/dbraw/zinc/05/57/40/554055740.db2.gz GJXYXYIKCCJUQX-YUYWZBKDSA-N 0 0 681.538 9.434 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000098003657 554055811 /nfs/dbraw/zinc/05/58/11/554055811.db2.gz BMXZJXFLGGNFJG-FRRBMJAGSA-N 0 0 689.639 10.186 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000098003708 554056311 /nfs/dbraw/zinc/05/63/11/554056311.db2.gz LHJPIRDZRCYIRV-NIYFSFCBSA-N 0 0 555.394 7.220 50 30 KKEARN O=S(=O)(O[C@]1(c2ccc(C(F)(F)F)cc2)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000098005064 554056501 /nfs/dbraw/zinc/05/65/01/554056501.db2.gz NKLBPKOUTMMSNN-AREMUKBSSA-N 0 0 629.465 6.849 50 30 KKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@H](Cc1ccccc1)C(=O)OC ZINC000035494248 554056856 /nfs/dbraw/zinc/05/68/56/554056856.db2.gz VBZABTLPKKERQO-JIRNCULNSA-N 0 0 521.698 6.038 50 30 biogenic KKEARN COc1c(I)cc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1I ZINC000098005785 554058522 /nfs/dbraw/zinc/05/85/22/554058522.db2.gz GWYNVHKLSRZFCS-JOCHJYFZSA-N 0 0 647.254 6.426 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccc(Cl)cc3)s1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000098005875 554059163 /nfs/dbraw/zinc/05/91/63/554059163.db2.gz SUSXLQOASFRCTD-IBGZPJMESA-N 0 0 528.074 6.787 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1nnc(SCc2ccccc2Cl)s1 ZINC000098005871 554059165 /nfs/dbraw/zinc/05/91/65/554059165.db2.gz CISWQNUKSJXMET-INIZCTEOSA-N 0 0 550.920 7.318 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098006055 554060461 /nfs/dbraw/zinc/06/04/61/554060461.db2.gz VDARTNPSKWQPBI-SFHVURJKSA-N 0 0 555.081 6.556 50 30 KKEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000098006204 554060801 /nfs/dbraw/zinc/06/08/01/554060801.db2.gz RNLPACHXJPNEMW-SFHVURJKSA-N 0 0 560.579 6.285 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(SC)cc2)sc2c1CCCC2 ZINC000098006221 554060889 /nfs/dbraw/zinc/06/08/89/554060889.db2.gz ZLVPWMPCLHGFAZ-DEOSSOPVSA-N 0 0 536.719 6.132 50 30 KKEARN CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(N(C)C)cc2)sc2c1CCCC2 ZINC000098006362 554061781 /nfs/dbraw/zinc/06/17/81/554061781.db2.gz AYRXMBMQVZJOJK-AREMUKBSSA-N 0 0 561.748 6.112 50 30 KKEARN NC1=C(C(=O)Nc2nccs2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1c1ccc(C(F)(F)F)cc1 ZINC000098008083 554065939 /nfs/dbraw/zinc/06/59/39/554065939.db2.gz OGCDVCGUPUSKMR-HXUWFJFHSA-N 0 0 528.531 5.721 50 30 KKEARN CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000035724729 554068108 /nfs/dbraw/zinc/06/81/08/554068108.db2.gz CJTZDWJDCJLPBF-FZKQIMNGSA-N 0 0 513.421 5.014 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1)C(=O)CCCCCC ZINC000035745029 554070072 /nfs/dbraw/zinc/07/00/72/554070072.db2.gz QUDMNMLWXOYJSU-OAQYLSRUSA-N 0 0 517.468 5.538 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CCSc1nc3c(c(-c4ccccc4)c1C#N)C(=O)CC(C)(C)C3)CCCCC2 ZINC000098009723 554070492 /nfs/dbraw/zinc/07/04/92/554070492.db2.gz GEFXEXHXXLXIHD-UHFFFAOYSA-N 0 0 601.794 7.403 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000035770661 554072734 /nfs/dbraw/zinc/07/27/34/554072734.db2.gz LOKUFDIQGUGACH-HKBQPEDESA-N 0 0 514.735 6.982 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1ccccc1[N+](=O)[O-] ZINC000098010719 554073808 /nfs/dbraw/zinc/07/38/08/554073808.db2.gz NAEJUMOOKIBJEU-UHFFFAOYSA-N 0 0 558.639 5.433 50 30 KKEARN C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000035774403 554073871 /nfs/dbraw/zinc/07/38/71/554073871.db2.gz MWWDOQRLZPWANU-UHFFFAOYSA-N 0 0 505.442 6.360 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000035913038 554096801 /nfs/dbraw/zinc/09/68/01/554096801.db2.gz PHSLRZRIHKCIII-IOKPGSKQSA-N 0 0 507.652 5.619 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000035913037 554096816 /nfs/dbraw/zinc/09/68/16/554096816.db2.gz PHSLRZRIHKCIII-JVAFGIKQSA-N 0 0 507.652 5.619 50 30 KKEARN CCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098016909 554104734 /nfs/dbraw/zinc/10/47/34/554104734.db2.gz YZUDFEUHMSWERS-UHFFFAOYSA-N 0 0 620.569 7.987 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)cc1OC ZINC000035973753 554114900 /nfs/dbraw/zinc/11/49/00/554114900.db2.gz VWJNVABPOKXZTD-MNUVWUGUSA-N 0 0 505.611 5.416 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)C[C@@H](C)CC(C)(C)C ZINC000098019986 554116009 /nfs/dbraw/zinc/11/60/09/554116009.db2.gz IVHYITDBPWFAJQ-OAQYLSRUSA-N 0 0 581.109 6.181 50 30 KKEARN CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2Cc2ccccc2)CC1 ZINC000098021509 554119166 /nfs/dbraw/zinc/11/91/66/554119166.db2.gz KMNQFMDYDJGQLF-UHFFFAOYSA-N 0 0 502.678 6.581 50 30 KKEARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000098037067 554121144 /nfs/dbraw/zinc/12/11/44/554121144.db2.gz QNKHBWJSMRZWOV-DCFHFQCYSA-N 0 0 523.589 5.150 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1 ZINC000098042814 554122627 /nfs/dbraw/zinc/12/26/27/554122627.db2.gz BFBSUMKWSYRBDG-FEERPNRMSA-N 0 0 566.746 6.949 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1 ZINC000098042811 554122642 /nfs/dbraw/zinc/12/26/42/554122642.db2.gz BFBSUMKWSYRBDG-YQPGIBNTSA-N 0 0 566.746 6.949 50 30 KKEARN CCCCCCCCCCCCCCCCc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c(O)c1 ZINC000098044781 554129770 /nfs/dbraw/zinc/12/97/70/554129770.db2.gz UNCBFFNPTXIBGF-UHFFFAOYSA-N 0 0 606.251 10.966 50 30 KKEARN CC(C)(C)C(=O)[C@H](Oc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(C(F)(F)F)C(F)(F)F)C(=O)Nc1ccccc1 ZINC000098045096 554130645 /nfs/dbraw/zinc/13/06/45/554130645.db2.gz DVCCRFZKPQVZDL-INIZCTEOSA-N 0 0 647.403 8.267 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000098045523 554132215 /nfs/dbraw/zinc/13/22/15/554132215.db2.gz CPFRJNPYFNWWPH-JPZYQRIQSA-N 0 0 550.596 8.325 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098045749 554133470 /nfs/dbraw/zinc/13/34/70/554133470.db2.gz HPXMIFLMXDATSC-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c(C)c([N+](=O)[O-])c1 ZINC000098045795 554134097 /nfs/dbraw/zinc/13/40/97/554134097.db2.gz JQBCZQUQXCSCJS-OPEKNORGSA-N 0 0 549.345 5.750 50 30 KKEARN CCCCCCCC[S@@](=O)C[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000098045808 554134174 /nfs/dbraw/zinc/13/41/74/554134174.db2.gz IPOFRQTXMWTEPB-FEERPNRMSA-N 0 0 506.737 6.849 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046313 554137593 /nfs/dbraw/zinc/13/75/93/554137593.db2.gz HREJFLJMBRGIMF-DEOSSOPVSA-N 0 0 562.644 5.683 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046550 554140775 /nfs/dbraw/zinc/14/07/75/554140775.db2.gz CQMOLHNQRACLLJ-MUUNZHRXSA-N 0 0 552.652 7.703 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046551 554140810 /nfs/dbraw/zinc/14/08/10/554140810.db2.gz CQMOLHNQRACLLJ-NDEPHWFRSA-N 0 0 552.652 7.703 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000098046584 554141245 /nfs/dbraw/zinc/14/12/45/554141245.db2.gz GEQQOGRSQWIKER-NDEPHWFRSA-N 0 0 544.604 5.065 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000098046577 554141263 /nfs/dbraw/zinc/14/12/63/554141263.db2.gz ZRZCCCZISWHQBN-ACSYHNTCSA-N 0 0 542.632 5.761 50 30 KKEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000098046582 554141266 /nfs/dbraw/zinc/14/12/66/554141266.db2.gz BMVHCKBMTSUURO-LJAQVGFWSA-N 0 0 534.568 5.210 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046620 554141665 /nfs/dbraw/zinc/14/16/65/554141665.db2.gz XOGYUSXJCKMTMW-HHHXNRCGSA-N 0 0 556.640 6.338 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046618 554141690 /nfs/dbraw/zinc/14/16/90/554141690.db2.gz ZVZHXENIRKZNOU-AREMUKBSSA-N 0 0 542.613 5.948 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046676 554142320 /nfs/dbraw/zinc/14/23/20/554142320.db2.gz HMIJEMRUCHMAQH-NDEPHWFRSA-N 0 0 586.486 6.202 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000036030172 554142553 /nfs/dbraw/zinc/14/25/53/554142553.db2.gz NKUOFZAKXWTIRD-UHFFFAOYSA-N 0 0 520.482 5.648 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046705 554142815 /nfs/dbraw/zinc/14/28/15/554142815.db2.gz MTFSPIAPDIOPOB-PGUFJCEWSA-N 0 0 596.683 7.327 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1ccc(F)cc1 ZINC000036030633 554143604 /nfs/dbraw/zinc/14/36/04/554143604.db2.gz HDNAIDIIDNDDDR-UHFFFAOYSA-N 0 0 509.647 5.638 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)c1ccc(C)cc1 ZINC000036030637 554143607 /nfs/dbraw/zinc/14/36/07/554143607.db2.gz OWXJAUZBKQIMHF-UHFFFAOYSA-N 0 0 505.684 5.807 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)c3ccc(Cl)cc3)n2)ccc1OCCC(C)C ZINC000098046905 554144826 /nfs/dbraw/zinc/14/48/26/554144826.db2.gz JPAZOMCXUQUNBG-UHFFFAOYSA-N 0 0 533.015 8.001 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098046910 554145047 /nfs/dbraw/zinc/14/50/47/554145047.db2.gz DVYCTCBKZWPTKZ-UHFFFAOYSA-N 0 0 543.611 7.112 50 30 KKEARN Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)ccc1OCCC(C)C ZINC000098046907 554145084 /nfs/dbraw/zinc/14/50/84/554145084.db2.gz UNNLNBAQFLFRAV-UHFFFAOYSA-N 0 0 531.575 7.242 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000098046978 554145780 /nfs/dbraw/zinc/14/57/80/554145780.db2.gz LZUUOBULGSNDLQ-QFIPXVFZSA-N 0 0 512.499 6.172 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 ZINC000098047110 554146743 /nfs/dbraw/zinc/14/67/43/554146743.db2.gz ZSPJYOFUVDHLEJ-UHFFFAOYSA-N 0 0 567.686 6.267 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000098047198 554147739 /nfs/dbraw/zinc/14/77/39/554147739.db2.gz KPWHWUKMNJSOBD-UHFFFAOYSA-N 0 0 522.346 6.141 50 30 KKEARN Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(OCCC(C)C)c(C)c3)cc(C(F)(F)F)c2C#N)c1 ZINC000098047225 554147946 /nfs/dbraw/zinc/14/79/46/554147946.db2.gz QFXCTUXXNLEEQI-UHFFFAOYSA-N 0 0 541.639 7.720 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=O)c1ccccc1C ZINC000036040469 554149329 /nfs/dbraw/zinc/14/93/29/554149329.db2.gz LHRZDDLDKMGPGD-UHFFFAOYSA-N 0 0 517.573 5.348 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000098047480 554151828 /nfs/dbraw/zinc/15/18/28/554151828.db2.gz HBOJRJWFKRDSFI-UHFFFAOYSA-N 0 0 537.538 7.088 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(F)cc3)cc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000098047540 554152652 /nfs/dbraw/zinc/15/26/52/554152652.db2.gz RLWJLRLVJCGOLB-UHFFFAOYSA-N 0 0 571.983 7.741 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccc(F)cc1 ZINC000098047567 554152756 /nfs/dbraw/zinc/15/27/56/554152756.db2.gz VDNVVPSNIYOMQP-UHFFFAOYSA-N 0 0 528.958 8.303 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000098047570 554152975 /nfs/dbraw/zinc/15/29/75/554152975.db2.gz LNYUMBZEZQWPNQ-UHFFFAOYSA-N 0 0 588.438 8.256 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)c1ccccc1Cl ZINC000036048121 554153782 /nfs/dbraw/zinc/15/37/82/554153782.db2.gz WRRYIQNWJKBAAW-UHFFFAOYSA-N 0 0 513.041 6.583 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000098047654 554153993 /nfs/dbraw/zinc/15/39/93/554153993.db2.gz WVMYDYPLGMQNNQ-UHFFFAOYSA-N 0 0 553.993 7.602 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000098047673 554154521 /nfs/dbraw/zinc/15/45/21/554154521.db2.gz ABBXRMXVJXUQHN-DEOSSOPVSA-N 0 0 562.644 5.683 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000098047699 554155005 /nfs/dbraw/zinc/15/50/05/554155005.db2.gz KSOHJBXGUONWTN-GDLZYMKVSA-N 0 0 572.061 6.183 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000098048014 554158324 /nfs/dbraw/zinc/15/83/24/554158324.db2.gz YFIWODWKYPPQMG-AREMUKBSSA-N 0 0 554.624 6.030 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048029 554158850 /nfs/dbraw/zinc/15/88/50/554158850.db2.gz ZOSBMVUQTYTLAQ-WGDIFIGCSA-N 0 0 539.613 5.532 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048037 554158932 /nfs/dbraw/zinc/15/89/32/554158932.db2.gz CJKLLEYDMYMOTL-LDLUVENISA-N 0 0 602.684 7.119 50 30 KKEARN O=C(C1=C(O)C(=O)N(C[C@H](c2ccc(Cl)cc2)N2CCCCC2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000098048187 554160492 /nfs/dbraw/zinc/16/04/92/554160492.db2.gz PRYWGYKBWHPMHY-VPUSJEBWSA-N 0 0 553.461 6.938 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2nc3ccccc3s2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000098048888 554162361 /nfs/dbraw/zinc/16/23/61/554162361.db2.gz ZZZYVPUKKCPQHQ-UHFFFAOYSA-N 0 0 655.805 8.409 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098049077 554162921 /nfs/dbraw/zinc/16/29/21/554162921.db2.gz FVXXPMDJWCGNEB-XMMPIXPASA-N 0 0 566.521 6.700 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000098049075 554162933 /nfs/dbraw/zinc/16/29/33/554162933.db2.gz FWVDBKRTQQUWSG-HSZRJFAPSA-N 0 0 566.477 6.030 50 30 KKEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000098049099 554163232 /nfs/dbraw/zinc/16/32/32/554163232.db2.gz ABHIDSGQJMLXND-RBTNQOKQSA-N 0 0 548.630 7.428 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049869 554169746 /nfs/dbraw/zinc/16/97/46/554169746.db2.gz JBXPMLAMRLXQDA-WDYNHAJCSA-N 0 0 510.634 6.487 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049870 554169810 /nfs/dbraw/zinc/16/98/10/554169810.db2.gz JBXPMLAMRLXQDA-VMPREFPWSA-N 0 0 510.634 6.487 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cccc(Br)c3)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050113 554171976 /nfs/dbraw/zinc/17/19/76/554171976.db2.gz CWKVFXFOBKVFGC-AREMUKBSSA-N 0 0 573.443 5.851 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C(C(=O)CCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098050109 554172028 /nfs/dbraw/zinc/17/20/28/554172028.db2.gz UDYHPCFXATZJGV-MUUNZHRXSA-N 0 0 599.640 5.602 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000098050114 554172339 /nfs/dbraw/zinc/17/23/39/554172339.db2.gz MOUOPFXQHMNEDM-NDEPHWFRSA-N 0 0 597.668 6.229 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3cc(OC)ccc3OC)C3=C(C(=O)CCC3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050122 554172389 /nfs/dbraw/zinc/17/23/89/554172389.db2.gz CJFLVJJALKPNJH-NDEPHWFRSA-N 0 0 554.599 5.105 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)O[C@@H](CC)C(=O)c3ccccc3)c3cccc(C)c3n2)cc1 ZINC000098050358 554173960 /nfs/dbraw/zinc/17/39/60/554173960.db2.gz MDLPSGYFQMSSOO-HKBQPEDESA-N 0 0 507.674 8.541 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)O[C@H](CC)C(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000098050384 554174354 /nfs/dbraw/zinc/17/43/54/554174354.db2.gz XTUBFVFAKHDCEE-JGCGQSQUSA-N 0 0 507.674 8.541 50 30 KKEARN CCCN(C[C@@H]1CO1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100024342 554183122 /nfs/dbraw/zinc/18/31/22/554183122.db2.gz HEAWIZXIWLKJKG-ZCFIWIBFSA-N 0 0 597.287 5.394 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1cccc(F)c1 ZINC000036117128 554184232 /nfs/dbraw/zinc/18/42/32/554184232.db2.gz AIAWHYFRCLKROH-SANMLTNESA-N 0 0 506.643 5.844 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)nc(N3CCCCC3)n2)cc1 ZINC000100036730 554191223 /nfs/dbraw/zinc/19/12/23/554191223.db2.gz SANNSBRVBATUTE-OGLMXYFKSA-N 0 0 600.552 5.568 50 30 KKEARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(/C=N/Cc3cccc4ccccc43)c3ccccc32)cc1 ZINC000100039296 554191826 /nfs/dbraw/zinc/19/18/26/554191826.db2.gz GCZGRNHNZZPSJD-XQYIRPNZSA-N 0 0 562.669 7.060 50 30 KKEARN O=C(/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@H]12)COc1cccc(C(F)(F)F)c1 ZINC000100042043 554192654 /nfs/dbraw/zinc/19/26/54/554192654.db2.gz FLEHAOYBYPJWKG-MVCPIXRKSA-N 0 0 550.529 6.054 50 30 KKEARN Brc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000100043088 554192878 /nfs/dbraw/zinc/19/28/78/554192878.db2.gz UTWLUMAKOMJQBX-GFTXTJKWSA-N 0 0 532.279 8.304 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(Br)=C/Br ZINC000100043311 554192893 /nfs/dbraw/zinc/19/28/93/554192893.db2.gz YCJFSPFBPAMUCR-UPHRSURJSA-N 0 0 503.878 6.356 50 30 KKEARN Cc1nn(-c2ccccc2)c(/N=C/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1-c1cccc(Br)c1 ZINC000100044859 554193188 /nfs/dbraw/zinc/19/31/88/554193188.db2.gz DXVKTZHWVDXBSN-HZQMBONKSA-N 0 0 628.570 9.519 50 30 KKEARN CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100045798 554193533 /nfs/dbraw/zinc/19/35/33/554193533.db2.gz IWIJPSWAAIRVQF-UHFFFAOYSA-N 0 0 616.440 11.087 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1 ZINC000036122617 554194546 /nfs/dbraw/zinc/19/45/46/554194546.db2.gz HLHMGNYGOHSYTJ-RUZDIDTESA-N 0 0 503.668 5.898 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100052666 554195152 /nfs/dbraw/zinc/19/51/52/554195152.db2.gz BKVJIUUTHQKBGC-WENCNXQZSA-N 0 0 540.019 7.548 50 30 KKEARN N#CC1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100064290 554199453 /nfs/dbraw/zinc/19/94/53/554199453.db2.gz PKRFHEJESMAXTQ-ZGDGUDBWSA-N 0 0 572.577 6.195 50 30 KKEARN N#CC1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100064295 554199567 /nfs/dbraw/zinc/19/95/67/554199567.db2.gz PKRFHEJESMAXTQ-MJOCGKAJSA-N 0 0 572.577 6.195 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000100066281 554199759 /nfs/dbraw/zinc/19/97/59/554199759.db2.gz JIUCMOFQPPNNPR-DPJLDFPASA-N 0 0 519.000 6.302 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000100066825 554200048 /nfs/dbraw/zinc/20/00/48/554200048.db2.gz RZRBGEGSAUNCPA-USIKZRCBSA-N 0 0 512.609 6.265 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100073216 554202855 /nfs/dbraw/zinc/20/28/55/554202855.db2.gz PHPWAQPZOOYSQS-ZTOMLWHTSA-N 0 0 566.912 7.794 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100073220 554202906 /nfs/dbraw/zinc/20/29/06/554202906.db2.gz PHPWAQPZOOYSQS-MNNSJKJDSA-N 0 0 566.912 7.794 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1c1ccccc1 ZINC000100076105 554204187 /nfs/dbraw/zinc/20/41/87/554204187.db2.gz YXBWXTUIBCFJGF-STTDQWOOSA-N 0 0 582.556 9.422 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000100076408 554204587 /nfs/dbraw/zinc/20/45/87/554204587.db2.gz BOSCIYXSYUMTRP-DWXRJYCRSA-N 0 0 570.480 5.875 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000100077293 554205150 /nfs/dbraw/zinc/20/51/50/554205150.db2.gz SKBANHKKGIJHRC-MRDQGFSESA-N 0 0 528.432 6.427 50 30 KKEARN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OCc1cccc2ccccc21 ZINC000100078672 554205504 /nfs/dbraw/zinc/20/55/04/554205504.db2.gz JCQXJOUBRXQCIM-GKVNEZTPSA-N 0 0 560.719 8.048 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000036245399 554209914 /nfs/dbraw/zinc/20/99/14/554209914.db2.gz QUMHLGNSYSTZFC-HZVMBZBSSA-N 0 0 501.611 6.941 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000036245388 554209926 /nfs/dbraw/zinc/20/99/26/554209926.db2.gz DQKZYZOVIZDSJL-UPZMMJCBSA-N 0 0 503.602 7.637 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000036245401 554209962 /nfs/dbraw/zinc/20/99/62/554209962.db2.gz QVXRNWPQGAKLLX-IUKPPQJPSA-N 0 0 520.654 7.469 50 30 KKEARN Nc1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000100090183 554210333 /nfs/dbraw/zinc/21/03/33/554210333.db2.gz FQQMUCAKAYUZFS-UHFFFAOYSA-N 0 0 511.175 6.735 50 30 KKEARN O=C1C[C@@H](SC(=NCCc2ccccc2)Nc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100090239 554210635 /nfs/dbraw/zinc/21/06/35/554210635.db2.gz PYQVPCOTFKVVQM-JOCHJYFZSA-N 0 0 582.431 6.777 50 30 KKEARN CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000036257881 554211100 /nfs/dbraw/zinc/21/11/00/554211100.db2.gz IPYDTEJFZSYACC-GZTJUZNOSA-N 0 0 509.502 5.275 50 30 KKEARN O=C1C[C@H](SC(=NCc2ccccc2)Nc2ccc(OC(F)(F)Cl)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100091766 554212269 /nfs/dbraw/zinc/21/22/69/554212269.db2.gz GKGQUALCWFFNKH-NRFANRHFSA-N 0 0 584.859 7.004 50 30 KKEARN CCn1c2ccccc2c2cc([C@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc21 ZINC000100098908 554219637 /nfs/dbraw/zinc/21/96/37/554219637.db2.gz SCUNBVHHZNQKMM-YTTGMZPUSA-N 0 0 548.683 7.041 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C=Cc2ccccc2)cc1 ZINC000100109990 554221115 /nfs/dbraw/zinc/22/11/15/554221115.db2.gz DAYVAWMIUVUNQJ-PMVHZQMXSA-N 0 0 610.754 8.385 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100110649 554221539 /nfs/dbraw/zinc/22/15/39/554221539.db2.gz SNALKDPOKNDVPR-APCTWGCYSA-N 0 0 620.074 6.083 50 30 KKEARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1OCC ZINC000100112539 554222202 /nfs/dbraw/zinc/22/22/02/554222202.db2.gz LPOLJNVSFFEFFO-IOWWMNHBSA-N 0 0 563.695 5.546 50 30 KKEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(I)cc2)S/C1=N/c1ccc(OC(F)(F)Cl)cc1 ZINC000100112180 554222263 /nfs/dbraw/zinc/22/22/63/554222263.db2.gz NGXDLYKCNMZHES-QNZDRRGVSA-N 0 0 579.794 5.439 50 30 KKEARN N=C(Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)N[C@@H](CC(=O)c1cccs1)C(F)(F)F ZINC000100121450 554224421 /nfs/dbraw/zinc/22/44/21/554224421.db2.gz BBLSPIXQLOCFLV-GTVARFKMSA-N 0 0 503.937 6.268 50 30 KKEARN O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)N=C(Nc1nc3ccc(Cl)cc3c(-c3ccccc3)n1)N2 ZINC000100121794 554224453 /nfs/dbraw/zinc/22/44/53/554224453.db2.gz KNIRUAFVPPIFHP-AREMUKBSSA-N 0 0 558.867 6.832 50 30 KKEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)C[C@@H](c2ccccc2)CC1=O ZINC000100139570 554227354 /nfs/dbraw/zinc/22/73/54/554227354.db2.gz URTDJWMAWZTAIX-HHHXNRCGSA-N 0 0 534.700 7.348 50 30 biogenic,in-vitro KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142391 554228497 /nfs/dbraw/zinc/22/84/97/554228497.db2.gz BCVIYZUWSAMFNA-FPVUOMKESA-N 0 0 545.661 5.383 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142459 554228548 /nfs/dbraw/zinc/22/85/48/554228548.db2.gz GDHWSDSTWJBGRM-YVASRGEISA-N 0 0 588.488 6.512 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142350 554228612 /nfs/dbraw/zinc/22/86/12/554228612.db2.gz GVRXIVOXIDOSLN-UCSRTCPSSA-N 0 0 535.597 5.172 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100142395 554228637 /nfs/dbraw/zinc/22/86/37/554228637.db2.gz DFKQYWDRTNSGCL-CALDVZBHSA-N 0 0 610.530 5.837 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccccc2F)cc1OC ZINC000100142501 554228929 /nfs/dbraw/zinc/22/89/29/554228929.db2.gz BWILEKRZHUCGJT-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000100144025 554229745 /nfs/dbraw/zinc/22/97/45/554229745.db2.gz UNUNQYHUEJWTCK-KUEVPICXSA-N 0 0 609.411 6.471 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1CNC=C1C(=O)CC(c2ccco2)CC1=O ZINC000100146727 554230399 /nfs/dbraw/zinc/23/03/99/554230399.db2.gz PAORFWANBUVXDA-LUTIACGYSA-N 0 0 538.431 5.907 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151388 554231783 /nfs/dbraw/zinc/23/17/83/554231783.db2.gz RGXNJCRAUUOLNA-FPNNDXFKSA-N 0 0 602.634 5.501 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100151415 554231787 /nfs/dbraw/zinc/23/17/87/554231787.db2.gz XMJJRARVBBLPAY-DOEKTCAHSA-N 0 0 622.615 6.372 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC34CC5CC(CC(C5)C3)C4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100153948 554232227 /nfs/dbraw/zinc/23/22/27/554232227.db2.gz GKDLVKIJCYVBDM-MGOOHCJKSA-N 0 0 538.113 6.525 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)=C1Nc2ccccc2N1 ZINC000100154504 554232610 /nfs/dbraw/zinc/23/26/10/554232610.db2.gz YLSNNDHGPNCPSW-UHFFFAOYSA-N 0 0 531.619 5.657 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100156022 554232873 /nfs/dbraw/zinc/23/28/73/554232873.db2.gz WBNUCMRLEYQNKV-PZUNEJSGSA-N 0 0 594.561 5.592 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100159886 554234052 /nfs/dbraw/zinc/23/40/52/554234052.db2.gz GCYRJTFRLLVFBM-IEZKXTBUSA-N 0 0 605.644 5.323 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100160341 554234607 /nfs/dbraw/zinc/23/46/07/554234607.db2.gz WMTKFPRXKGSNQB-LGPLSSKUSA-N 0 0 607.490 5.749 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100160339 554234662 /nfs/dbraw/zinc/23/46/62/554234662.db2.gz WMTKFPRXKGSNQB-SKBVVQJISA-N 0 0 607.490 5.749 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cc(OC)c(OC)cc4OC)C(=O)O3)cc2)cc1 ZINC000100166070 554236462 /nfs/dbraw/zinc/23/64/62/554236462.db2.gz AYWAVSFMANWKFE-RRAHZORUSA-N 0 0 527.661 7.627 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1F ZINC000100167065 554237113 /nfs/dbraw/zinc/23/71/13/554237113.db2.gz NAXBQPWTGNQFTN-AHPONGEQSA-N 0 0 551.743 8.737 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100167084 554237118 /nfs/dbraw/zinc/23/71/18/554237118.db2.gz GJPIJANXYSRHNW-VRJISVGQSA-N 0 0 574.762 9.054 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000100167224 554237415 /nfs/dbraw/zinc/23/74/15/554237415.db2.gz XUIXORWVXAHDKN-NOCHOARKSA-N 0 0 619.824 7.523 50 30 KKEARN CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C(=O)c2ccccc2)C(=O)N(CCCC)C1=O ZINC000100167844 554237674 /nfs/dbraw/zinc/23/76/74/554237674.db2.gz GHLMBTYYPMGYHF-DAFNUICNSA-N 0 0 538.088 6.818 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100171831 554238232 /nfs/dbraw/zinc/23/82/32/554238232.db2.gz UWDIUNOSTYFJKW-GVXSCFBNSA-N 0 0 560.647 5.414 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100171922 554238528 /nfs/dbraw/zinc/23/85/28/554238528.db2.gz IOLVEWWKWXAFOF-GVXSCFBNSA-N 0 0 605.644 5.323 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100172209 554238843 /nfs/dbraw/zinc/23/88/43/554238843.db2.gz QCCSMRCOUPNMKQ-DCEDVJGZSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100173492 554239577 /nfs/dbraw/zinc/23/95/77/554239577.db2.gz NPHCNTKBCLPTLM-BTZRARBUSA-N 0 0 596.627 5.693 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100173485 554239589 /nfs/dbraw/zinc/23/95/89/554239589.db2.gz NPHCNTKBCLPTLM-PNTFMKQHSA-N 0 0 596.627 5.693 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)nnc1-c1cccc(OC)c1 ZINC000037398890 554241088 /nfs/dbraw/zinc/24/10/88/554241088.db2.gz BFJJPOPHPBLPIL-UHFFFAOYSA-N 0 0 514.607 5.091 50 30 KKEARN COc1ccc(N2CCN(CN3C(=O)/C(=N\c4ccc(OC(F)(F)Cl)cc4)c4ccccc43)CC2)cc1 ZINC000100183942 554242472 /nfs/dbraw/zinc/24/24/72/554242472.db2.gz HTFYEQXKBDDWBX-GDWJVWIDSA-N 0 0 526.971 5.110 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccc(Br)cc4)NC3=O)c2C)cc1 ZINC000100193550 554245432 /nfs/dbraw/zinc/24/54/32/554245432.db2.gz WVTFZKDCOAUBNM-HMAPJEAMSA-N 0 0 524.440 5.925 50 30 KKEARN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)cc2)cc1 ZINC000100194177 554245694 /nfs/dbraw/zinc/24/56/94/554245694.db2.gz XCOIDAGHISPVNX-YRRMYEEHSA-N 0 0 551.671 9.621 50 30 KKEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)S2)cc1 ZINC000100194739 554245809 /nfs/dbraw/zinc/24/58/09/554245809.db2.gz QUWZHIPAPBHZBP-OEAKJJBVSA-N 0 0 527.415 6.458 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)o2)cc1 ZINC000100210781 554248930 /nfs/dbraw/zinc/24/89/30/554248930.db2.gz RJDSUUVDLAGOPI-NPLUKTODSA-N 0 0 500.620 7.060 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1Cl ZINC000100212865 554249522 /nfs/dbraw/zinc/24/95/22/554249522.db2.gz VOTNCQMXIXZNFY-UHFFFAOYSA-N 0 0 599.949 8.090 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2Cc2ccccc2)cc1 ZINC000100214307 554249586 /nfs/dbraw/zinc/24/95/86/554249586.db2.gz TVDVWMLBFCOIAA-XMWFGAJLSA-N 0 0 536.053 5.986 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1ccccc1F ZINC000100214873 554249750 /nfs/dbraw/zinc/24/97/50/554249750.db2.gz UCYXHVPHLMJVKY-RUZDIDTESA-N 0 0 533.983 6.198 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000100215038 554249765 /nfs/dbraw/zinc/24/97/65/554249765.db2.gz IIOZDKKEHXOSQN-XMMPIXPASA-N 0 0 561.388 5.678 50 30 KKEARN C=CCc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(OCC)c1OCc1ccccc1C#N ZINC000100215808 554250358 /nfs/dbraw/zinc/25/03/58/554250358.db2.gz VQRMZKAGLCJQTF-GDLZYMKVSA-N 0 0 546.623 6.006 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217055 554250685 /nfs/dbraw/zinc/25/06/85/554250685.db2.gz RBOZRIITJWRWLM-UCSRTCPSSA-N 0 0 552.052 5.686 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)CC(C)C)CC3)n1 ZINC000037604067 554255436 /nfs/dbraw/zinc/25/54/36/554255436.db2.gz DRKSKEBKWSKOKO-MHZLTWQESA-N 0 0 507.631 5.297 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000100230045 554255629 /nfs/dbraw/zinc/25/56/29/554255629.db2.gz SLYQRLIFNKPAHB-OMYAATJGSA-N 0 0 580.313 7.246 50 30 KKEARN CCOc1cc(/C=C2/CCC/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000100230051 554255691 /nfs/dbraw/zinc/25/56/91/554255691.db2.gz SLYQRLIFNKPAHB-BJPQZVBLSA-N 0 0 580.313 7.246 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000100231980 554257261 /nfs/dbraw/zinc/25/72/61/554257261.db2.gz PRLITMUWKQNSDC-SANMLTNESA-N 0 0 541.003 5.931 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I ZINC000100236533 554258547 /nfs/dbraw/zinc/25/85/47/554258547.db2.gz HUVVYURHWKEPEZ-FMCGGJTJSA-N 0 0 597.390 5.887 50 30 KKEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)S2)cc1 ZINC000100253155 554263465 /nfs/dbraw/zinc/26/34/65/554263465.db2.gz JFKANHMORHEAKB-FSJBWODESA-N 0 0 570.421 5.845 50 30 KKEARN CCN(CC)[P@](=O)(Nc1ccc([N+](=O)[O-])cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000038141354 554264737 /nfs/dbraw/zinc/26/47/37/554264737.db2.gz CLRBUOIUXOJEFB-DIPNUNPCSA-N 0 0 543.952 5.191 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c(OC)c1 ZINC000100267417 554267491 /nfs/dbraw/zinc/26/74/91/554267491.db2.gz OFUCPKQQMLTZIW-JJXZISMASA-N 0 0 537.641 6.186 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccccc3)c(OC)c2)SC1=S ZINC000100268668 554268134 /nfs/dbraw/zinc/26/81/34/554268134.db2.gz XMVQWYZVHIIOSX-RGEXLXHISA-N 0 0 553.443 5.145 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(I)c(OCCOc3ccccc3C)c(OC)c2)SC1=S ZINC000100268646 554268150 /nfs/dbraw/zinc/26/81/50/554268150.db2.gz BJVJEZMQAYJMJM-ZHZULCJRSA-N 0 0 567.470 5.453 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1/S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000100276066 554272734 /nfs/dbraw/zinc/27/27/34/554272734.db2.gz RFZPPRNZFSOMEB-WZDACRMJSA-N 0 0 590.499 6.329 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(OCCCCCCCCCC)cc1 ZINC000100286542 554280553 /nfs/dbraw/zinc/28/05/53/554280553.db2.gz LUPFCKVNTRMGSX-UHFFFAOYSA-N 0 0 524.706 7.521 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307673 554296114 /nfs/dbraw/zinc/29/61/14/554296114.db2.gz PUALPTSJLQXXSP-NFMXCSJRSA-N 0 0 552.096 6.177 50 30 KKEARN COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)ON=C(c2ccccc2)c2ccccc2)n1 ZINC000043061791 554297176 /nfs/dbraw/zinc/29/71/76/554297176.db2.gz OVXMBIVWNJDDSM-UHFFFAOYSA-N 0 0 609.595 5.495 50 30 KKEARN CCOC(=O)[C@@H](S)Cc1ccc(OC[C@]2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1 ZINC000044126503 554301321 /nfs/dbraw/zinc/30/13/21/554301321.db2.gz QZUSUWOXZPFSTN-IUDBTDONSA-N 0 0 534.718 6.758 50 30 KKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000100313413 554301825 /nfs/dbraw/zinc/30/18/25/554301825.db2.gz FKPMFUDFNQWBSW-QPJLOFLHSA-N 0 0 570.714 8.100 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100313150 554301842 /nfs/dbraw/zinc/30/18/42/554301842.db2.gz GPFRFLGWHFUUDF-SXFDALKKSA-N 0 0 502.611 6.960 50 30 KKEARN C[C@@H]1C[C@H](C)CN(c2c(F)c(F)c([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c(F)c2F)C1 ZINC000044460047 554302472 /nfs/dbraw/zinc/30/24/72/554302472.db2.gz WOBOHAUGVJYBLL-GZKOVBJLSA-N 0 0 536.613 8.188 50 30 KKEARN COc1cc(/C=C2\CCC/C(=C\c3cc(Br)c(OC)c(OC)c3)C2=O)cc(Br)c1OC ZINC000100320072 554304525 /nfs/dbraw/zinc/30/45/25/554304525.db2.gz XKOGVJHQPCQHCO-GONBZBRSSA-N 0 0 552.259 6.466 50 30 KKEARN CCOc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000044858986 554306026 /nfs/dbraw/zinc/30/60/26/554306026.db2.gz ZJYKDKNOBQXJLM-DEOSSOPVSA-N 0 0 501.543 5.100 50 30 KKEARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br ZINC000100322057 554306446 /nfs/dbraw/zinc/30/64/46/554306446.db2.gz USERGPVIEFPFQP-OEAKJJBVSA-N 0 0 530.422 6.495 50 30 KKEARN CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000045329810 554311274 /nfs/dbraw/zinc/31/12/74/554311274.db2.gz CYKLQIOPIMZZBZ-UHFFFAOYSA-N 0 0 548.447 10.979 50 30 KKEARN O=C1c2c(cccc2Oc2ccc(Cl)cc2)[C@@H](c2ccccc2)/C1=C/c1cccc(Br)c1 ZINC000100333073 554315604 /nfs/dbraw/zinc/31/56/04/554315604.db2.gz VQMNEGHZTXSVJI-KDSDTBODSA-N 0 0 501.807 8.307 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000049710826 554324689 /nfs/dbraw/zinc/32/46/89/554324689.db2.gz FVULOFQWRPTTGM-HFJWLAOPSA-N 0 0 540.454 5.781 50 30 KKEARN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000100341185 554325470 /nfs/dbraw/zinc/32/54/70/554325470.db2.gz MGRPAUIKJJNRJM-WPWMEQJKSA-N 0 0 594.596 8.178 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000049918093 554327341 /nfs/dbraw/zinc/32/73/41/554327341.db2.gz GGQPJZBVFPWEKT-UTONBFNKSA-N 0 0 558.634 6.696 50 30 KKEARN COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000050860559 554327787 /nfs/dbraw/zinc/32/77/87/554327787.db2.gz CXDXRPHWNFNHJJ-UHFFFAOYSA-N 0 0 536.463 5.402 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)c1CCC#N ZINC000050861243 554327810 /nfs/dbraw/zinc/32/78/10/554327810.db2.gz SABZDWWUCLDGFU-HKBQPEDESA-N 0 0 545.090 6.689 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)CCOc1ccc(C)cc1 ZINC000053253830 554330394 /nfs/dbraw/zinc/33/03/94/554330394.db2.gz MMBDJZITPZWWKN-XIFFEERXSA-N 0 0 534.612 6.600 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348044 554330558 /nfs/dbraw/zinc/33/05/58/554330558.db2.gz HWQBOWAIKUHWKC-DXWCKFLSSA-N 0 0 554.068 5.569 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348110 554330563 /nfs/dbraw/zinc/33/05/63/554330563.db2.gz GTNDANGEFSUDDC-XDNZSQCXSA-N 0 0 533.650 5.224 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000053290188 554331099 /nfs/dbraw/zinc/33/10/99/554331099.db2.gz CRAOHLXZXNEYDI-RUZDIDTESA-N 0 0 535.438 5.966 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291063 554331486 /nfs/dbraw/zinc/33/14/86/554331486.db2.gz ODVYKTCMUIHVJQ-JOCHJYFZSA-N 0 0 519.420 6.459 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1F)[C@H]2c1ccccc1OCc1ccccc1 ZINC000053290917 554331660 /nfs/dbraw/zinc/33/16/60/554331660.db2.gz PVSIXWQCKNVWRW-XIFFEERXSA-N 0 0 546.642 7.862 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000053305753 554332872 /nfs/dbraw/zinc/33/28/72/554332872.db2.gz NQUMKFQXNOAHLY-VWLOTQADSA-N 0 0 535.438 6.110 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000053305888 554333183 /nfs/dbraw/zinc/33/31/83/554333183.db2.gz SVEWAMCLPLPZOI-RUZDIDTESA-N 0 0 536.422 5.561 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000053306163 554333590 /nfs/dbraw/zinc/33/35/90/554333590.db2.gz AQRAANBVSVMMGL-VWLOTQADSA-N 0 0 535.438 5.966 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000053306162 554333666 /nfs/dbraw/zinc/33/36/66/554333666.db2.gz AQRAANBVSVMMGL-RUZDIDTESA-N 0 0 535.438 5.966 50 30 KKEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000053306384 554333882 /nfs/dbraw/zinc/33/38/82/554333882.db2.gz DBRRNZRFFTUACS-UHFFFAOYSA-N 0 0 543.762 6.716 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307239 554335011 /nfs/dbraw/zinc/33/50/11/554335011.db2.gz IJOZACUXVSQXAT-XMMPIXPASA-N 0 0 577.456 6.230 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307705 554335392 /nfs/dbraw/zinc/33/53/92/554335392.db2.gz LTIRHCYVDPAIGS-VWLOTQADSA-N 0 0 530.621 6.915 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053308199 554335928 /nfs/dbraw/zinc/33/59/28/554335928.db2.gz LONZMDPPOQOGLT-QFIPXVFZSA-N 0 0 535.419 6.159 50 30 KKEARN CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319389 554337568 /nfs/dbraw/zinc/33/75/68/554337568.db2.gz DYVHNIKVZFYGBG-HSZRJFAPSA-N 0 0 565.445 6.249 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000053319351 554337634 /nfs/dbraw/zinc/33/76/34/554337634.db2.gz INADFJDIUCLMBE-YHZWMNSLSA-N 0 0 568.733 8.876 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000053319437 554337879 /nfs/dbraw/zinc/33/78/79/554337879.db2.gz YLURVBPDUSIJMS-WNSROMTISA-N 0 0 565.714 8.373 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053319462 554338322 /nfs/dbraw/zinc/33/83/22/554338322.db2.gz ZZYNOWAOCKRHJY-FEERPNRMSA-N 0 0 581.112 8.306 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053332200 554339102 /nfs/dbraw/zinc/33/91/02/554339102.db2.gz MXWUXHVHVOHHSL-LMKMVOKYSA-N 0 0 531.033 6.673 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000053333565 554339419 /nfs/dbraw/zinc/33/94/19/554339419.db2.gz PZTKHLNGNIMOAY-QTEAWJPNSA-N 0 0 592.648 7.121 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1 ZINC000053334022 554339918 /nfs/dbraw/zinc/33/99/18/554339918.db2.gz KOGLUBGNPXGHJU-BGOLNKOXSA-N 0 0 572.467 8.739 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053335985 554341450 /nfs/dbraw/zinc/34/14/50/554341450.db2.gz FPIFOBFPDCFIKZ-RUZDIDTESA-N 0 0 528.586 5.476 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053336644 554341883 /nfs/dbraw/zinc/34/18/83/554341883.db2.gz FSWZYYONRZLUSZ-CLYVBNDRSA-N 0 0 538.625 6.276 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@@H]1c1ccccc1 ZINC000053337454 554342137 /nfs/dbraw/zinc/34/21/37/554342137.db2.gz FTADURQGAGNWSA-SBVPHTNJSA-N 0 0 570.733 8.747 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053337650 554342302 /nfs/dbraw/zinc/34/23/02/554342302.db2.gz XJXDKTXKUQDRQU-LJAQVGFWSA-N 0 0 576.630 6.951 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053338706 554342725 /nfs/dbraw/zinc/34/27/25/554342725.db2.gz TUCLUXDKWNPQBZ-XDBZFTIUSA-N 0 0 589.113 7.481 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338402 554342877 /nfs/dbraw/zinc/34/28/77/554342877.db2.gz WVPFLNXEWPLLEQ-HSZRJFAPSA-N 0 0 563.429 5.921 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053338528 554342865 /nfs/dbraw/zinc/34/28/65/554342865.db2.gz SZADKFGJAVWAFH-MHZLTWQESA-N 0 0 570.667 6.547 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000053338969 554343232 /nfs/dbraw/zinc/34/32/32/554343232.db2.gz KFSUTYYSYOISJL-LMKMVOKYSA-N 0 0 546.645 5.939 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053339603 554343450 /nfs/dbraw/zinc/34/34/50/554343450.db2.gz WKHDPUCKQSJOJS-ZWVRTZEQSA-N 0 0 585.531 8.951 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339403 554343612 /nfs/dbraw/zinc/34/36/12/554343612.db2.gz RTPPTMPQGQICNF-HSZRJFAPSA-N 0 0 548.617 5.306 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340290 554344242 /nfs/dbraw/zinc/34/42/42/554344242.db2.gz IXSISSNTAQFWNN-DEOSSOPVSA-N 0 0 533.005 6.121 50 30 KKEARN CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 ZINC000053354135 554344641 /nfs/dbraw/zinc/34/46/41/554344641.db2.gz HSYWDZBYGLQMGL-UHFFFAOYSA-N 0 0 517.764 7.376 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2I)nc(-c2cccs2)cc1-c1ccc(F)cc1 ZINC000053355993 554344732 /nfs/dbraw/zinc/34/47/32/554344732.db2.gz VJFOPIZQMPHXSF-UHFFFAOYSA-N 0 0 571.440 6.823 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000053359617 554344961 /nfs/dbraw/zinc/34/49/61/554344961.db2.gz RZVXFMYOFMTGIN-XDCSYDRFSA-N 0 0 579.096 7.880 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000053359637 554345247 /nfs/dbraw/zinc/34/52/47/554345247.db2.gz IBKWWBSFNCQSPU-BNHRFMORSA-N 0 0 540.635 7.093 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000053359669 554345310 /nfs/dbraw/zinc/34/53/10/554345310.db2.gz IXRIDFAUGCRCBX-GZGVDWRWSA-N 0 0 551.086 8.297 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000053359632 554345344 /nfs/dbraw/zinc/34/53/44/554345344.db2.gz CRVCAZUSXJBDTC-APYJYERMSA-N 0 0 563.525 8.483 50 30 KKEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000100361773 554345907 /nfs/dbraw/zinc/34/59/07/554345907.db2.gz CWUVJQKOMLPILV-PGWWVJEZSA-N 0 0 537.613 5.055 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000100367772 554353819 /nfs/dbraw/zinc/35/38/19/554353819.db2.gz HPCZVMHDJHNWKE-BZUZNSEFSA-N 0 0 501.677 7.155 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1ccccc1Cl)N1CCCCC1 ZINC000100386218 554364864 /nfs/dbraw/zinc/36/48/64/554364864.db2.gz BRRMAQWVYIJRQU-HYOGKJQXSA-N 0 0 526.231 7.888 50 30 KKEARN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2CC=C)cc1 ZINC000100396398 554370203 /nfs/dbraw/zinc/37/02/03/554370203.db2.gz FTTNLANFPFSMNA-BNRZXNFUSA-N 0 0 575.590 8.890 50 30 KKEARN CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)CO[P@@](=O)([O-])OCC[N+](C)(C)C ZINC000059041036 554371735 /nfs/dbraw/zinc/37/17/35/554371735.db2.gz SULIDBRAXVDKBU-PTGWMXDISA-O 0 0 522.684 5.768 50 30 in-vitro KKEARN C=CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(/N=c2/scc(-c3ccc(F)cc3)n2CC=C)cc1 ZINC000100412099 554375261 /nfs/dbraw/zinc/37/52/61/554375261.db2.gz QZCKDRZMFAZFJT-BNRZXNFUSA-N 0 0 542.680 7.862 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000100416257 554383422 /nfs/dbraw/zinc/38/34/22/554383422.db2.gz YCGGLFNWRQRLQW-WJOKGBTCSA-N 0 0 596.708 8.426 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccc(/C=C/c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1 ZINC000100457328 554396597 /nfs/dbraw/zinc/39/65/97/554396597.db2.gz BHOWRCIMYCZFEB-SDZURZCKSA-N 0 0 576.288 8.294 50 30 KKEARN COc1c(I)cc(I)cc1/C=N/c1c(-c2ccco2)nc2ccccn21 ZINC000100459286 554397598 /nfs/dbraw/zinc/39/75/98/554397598.db2.gz HAHXRMCSBQWTBW-SSDVNMTOSA-N 0 0 569.140 5.563 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503719 554399555 /nfs/dbraw/zinc/39/95/55/554399555.db2.gz IQWNEEWFQROIQC-DFXYEROKSA-N 0 0 569.614 5.621 50 30 KKEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2nc3ccc(Br)cc3s2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000059503859 554400352 /nfs/dbraw/zinc/40/03/52/554400352.db2.gz HPDLOWDVCDUYMH-HSZRJFAPSA-N 0 0 536.495 6.610 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100499132 554405239 /nfs/dbraw/zinc/40/52/39/554405239.db2.gz YQMSMCUOIYLKPZ-INIZCTEOSA-N 0 0 517.748 6.299 50 30 KKEARN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)c2ccc(Br)cc2)cc1 ZINC000059528111 554406700 /nfs/dbraw/zinc/40/67/00/554406700.db2.gz DMBAIIUHLKDYNT-HSZRJFAPSA-N 0 0 577.500 5.763 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000059595571 554407917 /nfs/dbraw/zinc/40/79/17/554407917.db2.gz DVROAOJKSIYOAG-UHFFFAOYSA-N 0 0 598.437 5.018 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000059603631 554410223 /nfs/dbraw/zinc/41/02/23/554410223.db2.gz UQZUMERWRSXLEO-OAHLLOKOSA-N 0 0 597.366 6.372 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O ZINC000100532063 554410827 /nfs/dbraw/zinc/41/08/27/554410827.db2.gz VFIAGZFUJFJECK-HSZRJFAPSA-N 0 0 527.415 5.169 50 30 KKEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000059620827 554414215 /nfs/dbraw/zinc/41/42/15/554414215.db2.gz NZAHUMVDGBGOEQ-HUOGWEQVSA-N 0 0 562.619 5.004 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(Br)cc2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000100548934 554414437 /nfs/dbraw/zinc/41/44/37/554414437.db2.gz SMSGYDDTLKWMMU-UHFFFAOYSA-N 0 0 584.539 7.571 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059626398 554414490 /nfs/dbraw/zinc/41/44/90/554414490.db2.gz BGSMAGNMSBVXCM-NSZUCLEHSA-N 0 0 560.046 5.839 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 ZINC000059620903 554414545 /nfs/dbraw/zinc/41/45/45/554414545.db2.gz VULGWCJDPOCGAQ-ZCYRUUNBSA-N 0 0 568.066 5.537 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100551996 554415048 /nfs/dbraw/zinc/41/50/48/554415048.db2.gz SENXPGNKPBIHRC-FWUCURJTSA-N 0 0 574.073 6.428 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100552495 554415093 /nfs/dbraw/zinc/41/50/93/554415093.db2.gz CBXJKTCYDLGVPJ-PBBNMVCDSA-N 0 0 532.011 6.463 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100553575 554415433 /nfs/dbraw/zinc/41/54/33/554415433.db2.gz BEIFESRXCUTSIZ-KCWXNJEJSA-N 0 0 622.943 6.964 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000100552722 554415449 /nfs/dbraw/zinc/41/54/49/554415449.db2.gz GPOALINDVRBIKG-IPBJYNAHSA-N 0 0 539.628 5.817 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100553903 554415756 /nfs/dbraw/zinc/41/57/56/554415756.db2.gz OEBREEWZVQKZTE-SYBRLPANSA-N 0 0 567.682 6.216 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000100554441 554416099 /nfs/dbraw/zinc/41/60/99/554416099.db2.gz OSYLXJNWFDIIDE-GTYOFVGBSA-N 0 0 539.628 5.688 50 30 KKEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059630692 554416148 /nfs/dbraw/zinc/41/61/48/554416148.db2.gz JKRUNIRGKKONNB-GFCCVEGCSA-N 0 0 570.847 5.380 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C)c(C)cc2Br)nnc1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059630728 554416175 /nfs/dbraw/zinc/41/61/75/554416175.db2.gz MGAZXORTYMHLRE-MRXNPFEDSA-N 0 0 562.921 5.719 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1OC ZINC000059630848 554416373 /nfs/dbraw/zinc/41/63/73/554416373.db2.gz YNNKOAGXFQESNI-UHFFFAOYSA-N 0 0 534.585 5.722 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557287 554416750 /nfs/dbraw/zinc/41/67/50/554416750.db2.gz VJUKUZJRVPGNJL-SOKVYYICSA-N 0 0 540.443 6.570 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557763 554416854 /nfs/dbraw/zinc/41/68/54/554416854.db2.gz DFVVEUITJOKMGC-HRFSGMKKSA-N 0 0 554.912 7.340 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557761 554416871 /nfs/dbraw/zinc/41/68/71/554416871.db2.gz DFVVEUITJOKMGC-CCLHPLFOSA-N 0 0 554.912 7.340 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100559724 554417523 /nfs/dbraw/zinc/41/75/23/554417523.db2.gz ZMEQXLUJCKPEBE-GTYOFVGBSA-N 0 0 602.525 6.614 50 30 KKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100561444 554418064 /nfs/dbraw/zinc/41/80/64/554418064.db2.gz QHSQDUNBWYYYEZ-DPRPFSSYSA-N 0 0 565.651 6.855 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000100561790 554418337 /nfs/dbraw/zinc/41/83/37/554418337.db2.gz VASDZXMKSPFRGD-NYFMKLKXSA-N 0 0 586.128 7.488 50 30 KKEARN CCN1C(=O)/C(=C\C=C2/Sc3c(ccc4ccccc34)N2CC)S/C1=N/c1ccc(Oc2ccccc2)cc1 ZINC000100562692 554418742 /nfs/dbraw/zinc/41/87/42/554418742.db2.gz NBVCFKHHABLIID-UNIXPZFSSA-N 0 0 549.721 8.572 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Br ZINC000100564372 554419119 /nfs/dbraw/zinc/41/91/19/554419119.db2.gz FNBWEXNJYGFLEB-IQGLISFBSA-N 0 0 560.941 6.760 50 30 KKEARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000100565871 554419712 /nfs/dbraw/zinc/41/97/12/554419712.db2.gz UZDGEIMBCKRECJ-CQSZACIVSA-N 0 0 566.442 7.030 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000100569946 554421567 /nfs/dbraw/zinc/42/15/67/554421567.db2.gz KXDXSHACHUAQFM-FYUFQVDVSA-N 0 0 533.650 5.306 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100570455 554421853 /nfs/dbraw/zinc/42/18/53/554421853.db2.gz GNBRKGPDJIKRIB-UCSRTCPSSA-N 0 0 552.052 5.686 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100574720 554422511 /nfs/dbraw/zinc/42/25/11/554422511.db2.gz URTYCWZEHRLZDX-NFQMXDRXSA-N 0 0 570.480 5.408 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100574778 554422779 /nfs/dbraw/zinc/42/27/79/554422779.db2.gz FEOZCRONQVYOJT-HVIPQOSHSA-N 0 0 572.101 6.860 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000100575883 554423071 /nfs/dbraw/zinc/42/30/71/554423071.db2.gz FOOOZNIMQQECMM-QYBDOPJKSA-N 0 0 546.447 5.562 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100575814 554423108 /nfs/dbraw/zinc/42/31/08/554423108.db2.gz FGNCROYSVPVVHT-WINIVTDRSA-N 0 0 544.906 7.884 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100575998 554423310 /nfs/dbraw/zinc/42/33/10/554423310.db2.gz XAVFYYQPVQSXFY-DNOBIOAJSA-N 0 0 600.937 7.054 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100581357 554424717 /nfs/dbraw/zinc/42/47/17/554424717.db2.gz PYKONKJTINWJNF-YKGWIAGDSA-N 0 0 549.664 5.672 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100583180 554425298 /nfs/dbraw/zinc/42/52/98/554425298.db2.gz SRYLEGMTEXHHEF-QTYTWSNFSA-N 0 0 558.900 6.814 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100583187 554425327 /nfs/dbraw/zinc/42/53/27/554425327.db2.gz SRYLEGMTEXHHEF-ICUZJZPDSA-N 0 0 558.900 6.814 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000059706458 554426319 /nfs/dbraw/zinc/42/63/19/554426319.db2.gz PPVCRBFDVMPTRO-DICHSLLOSA-N 0 0 536.672 5.909 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000059706440 554426330 /nfs/dbraw/zinc/42/63/30/554426330.db2.gz YVPJEJAIOCYVNG-JMQGSBJISA-N 0 0 554.470 6.960 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000059706469 554426328 /nfs/dbraw/zinc/42/63/28/554426328.db2.gz LJLUPPHKPCITIX-RCRUUEGKSA-N 0 0 578.492 6.986 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100587940 554427029 /nfs/dbraw/zinc/42/70/29/554427029.db2.gz IQROCLREFYPGKN-SLQAJWMNSA-N 0 0 626.544 6.331 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000059735488 554427381 /nfs/dbraw/zinc/42/73/81/554427381.db2.gz OOPIBKKGCVISMZ-WYOOIXGGSA-N 0 0 598.696 6.120 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100588173 554427697 /nfs/dbraw/zinc/42/76/97/554427697.db2.gz PJNUJSAIANWDJP-INJOXJOKSA-N 0 0 583.681 5.834 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000059771902 554428714 /nfs/dbraw/zinc/42/87/14/554428714.db2.gz ONPQWFBCOGIOJJ-NRFANRHFSA-N 0 0 576.948 6.128 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(O)c2)cc1OC ZINC000100593165 554428830 /nfs/dbraw/zinc/42/88/30/554428830.db2.gz VVFSWESXYBQUSI-GTYOFVGBSA-N 0 0 555.627 5.393 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100593285 554429229 /nfs/dbraw/zinc/42/92/29/554429229.db2.gz XSXODRCWRKHFEX-NIYFSFCBSA-N 0 0 545.554 5.274 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100593320 554429453 /nfs/dbraw/zinc/42/94/53/554429453.db2.gz MNBAEYPXMCAEFK-XBBWARJSSA-N 0 0 626.544 6.418 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000100597848 554430622 /nfs/dbraw/zinc/43/06/22/554430622.db2.gz IXAQNDHRFOVVDJ-HEIROHQZSA-N 0 0 585.653 5.402 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100599996 554431304 /nfs/dbraw/zinc/43/13/04/554431304.db2.gz KQBRHVKRPNEHDO-NGOKVRLYSA-N 0 0 555.593 6.570 50 30 KKEARN O=C1C=CC(=NNc2cccc3ccccc32)C=C1C=[NH+][N-]c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000100599447 554431318 /nfs/dbraw/zinc/43/13/18/554431318.db2.gz OIXJEODMDQBTGJ-GGFWSZRHSA-N 0 0 535.656 6.572 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100600070 554431557 /nfs/dbraw/zinc/43/15/57/554431557.db2.gz JGFVPAABMSPVDK-SMSORMJASA-N 0 0 563.647 5.343 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000100600111 554431578 /nfs/dbraw/zinc/43/15/78/554431578.db2.gz CTWVORFQSQRVFJ-WNSROMTISA-N 0 0 627.690 5.622 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100600079 554431582 /nfs/dbraw/zinc/43/15/82/554431582.db2.gz LGSLFLGFTDVEAZ-KKMKAZDVSA-N 0 0 614.533 6.187 50 30 KKEARN O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=[NH+][N-]c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000100602206 554431856 /nfs/dbraw/zinc/43/18/56/554431856.db2.gz TUVHWKHGDPSRHX-IGIXHHFPSA-N 0 0 525.539 5.658 50 30 KKEARN CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC ZINC000100654037 554437365 /nfs/dbraw/zinc/43/73/65/554437365.db2.gz MXMJPDBVBJZBCA-UHFFFAOYSA-N 0 0 538.818 5.197 50 30 KKEARN O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1=C1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000100660274 554438485 /nfs/dbraw/zinc/43/84/85/554438485.db2.gz MAJBDWQUVDTCDL-CHGHPAACSA-N 0 0 616.760 10.228 50 30 KKEARN C=CCO/N=C(\CCCCCCCCCCCCCCCCC)[C@H]1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100668513 554440486 /nfs/dbraw/zinc/44/04/86/554440486.db2.gz ZTOMWHHYNGADAO-SJPZCYLMSA-N 0 0 519.767 7.780 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000100669918 554440988 /nfs/dbraw/zinc/44/09/88/554440988.db2.gz AKEBGZHUZDOYDS-LJAQVGFWSA-N 0 0 597.033 7.553 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672104 554442025 /nfs/dbraw/zinc/44/20/25/554442025.db2.gz NRAPPFJVURLICB-WJOKGBTCSA-N 0 0 570.686 5.877 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672106 554442030 /nfs/dbraw/zinc/44/20/30/554442030.db2.gz NRAPPFJVURLICB-HKBQPEDESA-N 0 0 570.686 5.877 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100674234 554442869 /nfs/dbraw/zinc/44/28/69/554442869.db2.gz PDHCWTPGEZJJCU-IEZKXTBUSA-N 0 0 568.464 5.172 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100675513 554443641 /nfs/dbraw/zinc/44/36/41/554443641.db2.gz LUTDFLPQEBAUSJ-NGOKVRLYSA-N 0 0 546.545 6.434 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100675504 554443671 /nfs/dbraw/zinc/44/36/71/554443671.db2.gz LUTDFLPQEBAUSJ-MMTVBGGISA-N 0 0 546.545 6.434 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100675516 554443675 /nfs/dbraw/zinc/44/36/75/554443675.db2.gz LUTDFLPQEBAUSJ-PIIWDFAUSA-N 0 0 546.545 6.434 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100675509 554443693 /nfs/dbraw/zinc/44/36/93/554443693.db2.gz LUTDFLPQEBAUSJ-WTYVLRPYSA-N 0 0 546.545 6.434 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677331 554444693 /nfs/dbraw/zinc/44/46/93/554444693.db2.gz VAJBLVZBNBVMHC-QHCPKHFHSA-N 0 0 534.609 6.148 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677320 554444749 /nfs/dbraw/zinc/44/47/49/554444749.db2.gz PZSDRSUZAMPJOF-QHCPKHFHSA-N 0 0 548.636 6.322 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100681095 554447244 /nfs/dbraw/zinc/44/72/44/554447244.db2.gz GGUHJXNZORSMFN-XMMPIXPASA-N 0 0 562.688 6.497 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681161 554447528 /nfs/dbraw/zinc/44/75/28/554447528.db2.gz VSIKBRXJLASUMY-SSEXGKCCSA-N 0 0 534.612 6.831 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000059844547 554447978 /nfs/dbraw/zinc/44/79/78/554447978.db2.gz IMODBXUNSJNCNZ-NSYGIPOTSA-N 0 0 556.453 5.485 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000100690513 554449867 /nfs/dbraw/zinc/44/98/67/554449867.db2.gz YTKPKXCUPUVGMV-HFJWLAOPSA-N 0 0 570.505 5.836 50 30 KKEARN C=CCSc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2SCC=C)cc1 ZINC000100690211 554449901 /nfs/dbraw/zinc/44/99/01/554449901.db2.gz SWCIPOFGXGAOJX-UHFFFAOYSA-N 0 0 618.416 8.272 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100690380 554449910 /nfs/dbraw/zinc/44/99/10/554449910.db2.gz ANWOKUZHLLLICN-RXFWQSSRSA-N 0 0 556.522 6.116 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100690385 554449931 /nfs/dbraw/zinc/44/99/31/554449931.db2.gz ANWOKUZHLLLICN-FNZWTVRRSA-N 0 0 556.522 6.116 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100693423 554450505 /nfs/dbraw/zinc/45/05/05/554450505.db2.gz MDTZOECWIUFTTP-RUZDIDTESA-N 0 0 589.497 9.188 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(C[C@H](O)c2ccc(OC)c(OC)c2)c1=N ZINC000100699951 554451439 /nfs/dbraw/zinc/45/14/39/554451439.db2.gz ZNUJGYAWVAHUHN-PMERELPUSA-N 0 0 537.789 8.154 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2)c1=N ZINC000100701174 554451676 /nfs/dbraw/zinc/45/16/76/554451676.db2.gz DLMMJRWNJITSNT-MUUNZHRXSA-N 0 0 507.763 7.843 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100701579 554451957 /nfs/dbraw/zinc/45/19/57/554451957.db2.gz MRARVPKFPDUQRC-QHCPKHFHSA-N 0 0 537.041 8.103 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000100701586 554451964 /nfs/dbraw/zinc/45/19/64/554451964.db2.gz UCIFRBNQTXPDSD-JOCHJYFZSA-N 0 0 539.013 7.495 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100701902 554452013 /nfs/dbraw/zinc/45/20/13/554452013.db2.gz URHYPPWYPWDNRB-OAQYLSRUSA-N 0 0 543.432 8.140 50 30 KKEARN O=C(Nc1cccc2ccccc21)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100702170 554452267 /nfs/dbraw/zinc/45/22/67/554452267.db2.gz TWRRPBYPNYEXRH-UHFFFAOYSA-N 0 0 519.257 7.127 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2Cl)cc1OC ZINC000100705891 554453124 /nfs/dbraw/zinc/45/31/24/554453124.db2.gz NZUTWBGUAKQCIS-AFJIDDCJSA-N 0 0 536.068 6.595 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000100719125 554454863 /nfs/dbraw/zinc/45/48/63/554454863.db2.gz HXSZXIPKCOEJFC-RUZDIDTESA-N 0 0 559.047 8.640 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000100726590 554457150 /nfs/dbraw/zinc/45/71/50/554457150.db2.gz ABKOQMACWHMPJP-DEOSSOPVSA-N 0 0 567.067 8.275 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000100726797 554457455 /nfs/dbraw/zinc/45/74/55/554457455.db2.gz PPLRSLMQZMFUMB-QHCPKHFHSA-N 0 0 571.486 8.920 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@@](=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000100728595 554458743 /nfs/dbraw/zinc/45/87/43/554458743.db2.gz URCWKIBFXYDUPU-ZHQHWHAXSA-N 0 0 556.753 6.854 50 30 KKEARN N#Cc1c(SC[C@H](O)C[S@](=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000100728653 554458774 /nfs/dbraw/zinc/45/87/74/554458774.db2.gz RGZHNYDWZIRYGD-TXRXYBTHSA-N 0 0 525.120 6.404 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100732408 554460183 /nfs/dbraw/zinc/46/01/83/554460183.db2.gz PNMHLOUFUSRSFJ-AWHRAJPHSA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100732403 554460276 /nfs/dbraw/zinc/46/02/76/554460276.db2.gz PNMHLOUFUSRSFJ-MGMSZRMWSA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100732823 554460851 /nfs/dbraw/zinc/46/08/51/554460851.db2.gz RCQZXROIAHHHCI-VEIFUORISA-N 0 0 581.665 6.201 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000100741771 554463160 /nfs/dbraw/zinc/46/31/60/554463160.db2.gz KVXSHEJGQVUVGT-UHFFFAOYSA-N 0 0 534.494 7.001 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)c5[nH]c6ccccc6c5C[C@@]34C)[C@H]2C1 ZINC000100743974 554463899 /nfs/dbraw/zinc/46/38/99/554463899.db2.gz OBFXFIRRJYJXQD-GUOFXFBESA-N 0 0 555.803 8.335 50 30 biogenic KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000100745955 554464394 /nfs/dbraw/zinc/46/43/94/554464394.db2.gz YRYBRNOOGXAPLK-QPJBPQEWSA-N 0 0 606.542 5.019 50 30 KKEARN CCN(CC)c1ccc([C@@H]2N(/C(CN3CCCC3)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100770974 554471393 /nfs/dbraw/zinc/47/13/93/554471393.db2.gz XLZPUMBJQLFTEU-CTOLJPTJSA-N 0 0 637.872 5.038 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(Cl)c3)C2=O)SC1=S ZINC000100779064 554472165 /nfs/dbraw/zinc/47/21/65/554472165.db2.gz YNIILWJUEQSJDC-VHXPQNKSSA-N 0 0 542.126 6.257 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059895747 554472411 /nfs/dbraw/zinc/47/24/11/554472411.db2.gz WZMASVLKSSRWMM-XMMPIXPASA-N 0 0 561.388 5.678 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3cccc(C)c3)C2=O)SC1=S ZINC000100795696 554473918 /nfs/dbraw/zinc/47/39/18/554473918.db2.gz MUFPAPKPRFXLAT-IZHYLOQSSA-N 0 0 521.708 5.912 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OC ZINC000100814958 554475802 /nfs/dbraw/zinc/47/58/02/554475802.db2.gz ISOAVSAMDDDCQZ-GCNKSYBOSA-N 0 0 581.554 8.485 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OC ZINC000100814950 554475806 /nfs/dbraw/zinc/47/58/06/554475806.db2.gz HEWAQGJPVSHHIL-BAUDQUINSA-N 0 0 567.527 8.095 50 30 KKEARN CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1OC ZINC000100814971 554476254 /nfs/dbraw/zinc/47/62/54/554476254.db2.gz CYBJKYIMJQTQFW-AROUGJDSSA-N 0 0 581.554 8.485 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2c2ccc(OCC)cc2)cc1 ZINC000100831309 554482592 /nfs/dbraw/zinc/48/25/92/554482592.db2.gz JJBHXXZJZQDYRZ-NFMXCSJRSA-N 0 0 533.650 6.048 50 30 KKEARN CCCCCCCCCCCCCCCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100853952 554493062 /nfs/dbraw/zinc/49/30/62/554493062.db2.gz UBUSKCOUZLKFFC-UHFFFAOYSA-N 0 0 502.721 8.271 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S ZINC000100871342 554498965 /nfs/dbraw/zinc/49/89/65/554498965.db2.gz QACQCGHTTOZGMO-OOAXWGSJSA-N 0 0 551.753 8.029 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S ZINC000100871836 554499987 /nfs/dbraw/zinc/49/99/87/554499987.db2.gz VYDSIBJKLVJALD-BRPDVVIDSA-N 0 0 561.817 8.444 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S ZINC000100873095 554502010 /nfs/dbraw/zinc/50/20/10/554502010.db2.gz ORRPOYCBXYPDOV-GIBOGKFOSA-N 0 0 617.925 10.005 50 30 KKEARN CCCCCCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1OC ZINC000100893803 554513192 /nfs/dbraw/zinc/51/31/92/554513192.db2.gz PZMBWQUSAQTLQF-CJLVFECKSA-N 0 0 528.472 5.486 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@@H](C)C[C@H](C)C2)SC1=S ZINC000100899349 554514325 /nfs/dbraw/zinc/51/43/25/554514325.db2.gz CYRFFGVRDNDOHJ-YXIGLJHJSA-N 0 0 512.745 5.657 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000100899347 554514435 /nfs/dbraw/zinc/51/44/35/554514435.db2.gz CYRFFGVRDNDOHJ-QNHPMTHESA-N 0 0 512.745 5.657 50 30 KKEARN CCCCCCCCCCOc1ccc(-c2c(=O)n(OCc3ccccc3)c3ccccc3[n+]2[O-])cc1 ZINC000100913613 554518851 /nfs/dbraw/zinc/51/88/51/554518851.db2.gz IZAJXUYOJSFQJR-UHFFFAOYSA-N 0 0 500.639 6.450 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000100918032 554520253 /nfs/dbraw/zinc/52/02/53/554520253.db2.gz GRSGFEFUQOAROV-UHFFFAOYSA-N 0 0 572.441 5.671 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000100920872 554521345 /nfs/dbraw/zinc/52/13/45/554521345.db2.gz NKBZSYBOCGVJKB-ZLUYCXQDSA-N 0 0 512.745 5.739 50 30 KKEARN O=C(C(=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)C(F)(F)F)C(F)(F)F ZINC000100923784 554523142 /nfs/dbraw/zinc/52/31/42/554523142.db2.gz BWFBRPQHLLJVAQ-UHFFFAOYSA-N 0 0 506.708 6.105 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnc1-c1ccc(OCCC)cc1 ZINC000100925042 554523663 /nfs/dbraw/zinc/52/36/63/554523663.db2.gz KXOIMZPAKJVSGQ-UHFFFAOYSA-N 0 0 540.114 6.351 50 30 KKEARN CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1NC(C=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000100933322 554528294 /nfs/dbraw/zinc/52/82/94/554528294.db2.gz KFHXLYPZLWVIJP-XLNRJJMWSA-N 0 0 552.660 6.001 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068562749 554538747 /nfs/dbraw/zinc/53/87/47/554538747.db2.gz CUOUHXHRFRMHRU-UHFFFAOYSA-N 0 0 584.182 6.543 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100955706 554539135 /nfs/dbraw/zinc/53/91/35/554539135.db2.gz QZRFGNYMPDZPSW-IOYDYCAWSA-N 0 0 540.041 5.526 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OCC)c3)C(=O)O2)cc1 ZINC000100955663 554539324 /nfs/dbraw/zinc/53/93/24/554539324.db2.gz FDWPPKKWYQQOTH-QOMWVZHYSA-N 0 0 507.627 6.875 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000068568870 554539572 /nfs/dbraw/zinc/53/95/72/554539572.db2.gz JATNMIPVKCXQQE-PSXMRANNSA-N 0 0 560.823 10.756 50 30 KKEARN CCOC(=O)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000068572873 554540065 /nfs/dbraw/zinc/54/00/65/554540065.db2.gz PCZZZDYZBPMEMD-UHFFFAOYSA-N 0 0 576.294 5.536 50 30 KKEARN Cc1cc(C)c(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)c(C)c1 ZINC000068572870 554540126 /nfs/dbraw/zinc/54/01/26/554540126.db2.gz DINYGLMDEQBKID-UHFFFAOYSA-N 0 0 546.312 6.284 50 30 KKEARN O=C(N[C@@H](CSCc1ccccc1)C(=O)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000100957220 554540175 /nfs/dbraw/zinc/54/01/75/554540175.db2.gz YLLIXSAYHZBQAS-NLQZMYRNSA-N 0 0 613.652 5.594 50 30 KKEARN O=C(N[C@H](CSCc1ccccc1)C(=O)OCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1)c1ccccc1 ZINC000100957226 554540231 /nfs/dbraw/zinc/54/02/31/554540231.db2.gz YLLIXSAYHZBQAS-ZTHAASSQSA-N 0 0 613.652 5.594 50 30 KKEARN CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000100985758 554548459 /nfs/dbraw/zinc/54/84/59/554548459.db2.gz KOGAJBXEFRAPAQ-INIZCTEOSA-N 0 0 564.748 6.141 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C/c2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1-c1ccccc1 ZINC000100988727 554549383 /nfs/dbraw/zinc/54/93/83/554549383.db2.gz BDGRORGYGASODZ-GQMRVQKDSA-N 0 0 558.446 5.608 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000100988750 554549404 /nfs/dbraw/zinc/54/94/04/554549404.db2.gz HZOBVQQUTFJAGF-MRSWKSNDSA-N 0 0 592.891 6.261 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n1-c1ccccc1 ZINC000100988736 554549424 /nfs/dbraw/zinc/54/94/24/554549424.db2.gz QNNSAICOBXRVCC-MJHDJXAISA-N 0 0 602.897 5.717 50 30 KKEARN N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=c1/s/c(=C/c2ccccc2Cl)c(=O)n1-c1ccccc1 ZINC000100989127 554549685 /nfs/dbraw/zinc/54/96/85/554549685.db2.gz BYGWRZJDVCUUCC-QYLHULHTSA-N 0 0 526.832 5.001 50 30 KKEARN Cc1ccccc1/N=C1\S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1c1ccccc1C ZINC000101007670 554555643 /nfs/dbraw/zinc/55/56/43/554555643.db2.gz UHICRUKCJCRKBE-TVNBHEQGSA-N 0 0 532.257 7.230 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c(I)o1)N(C(C)=O)c1ccccc1-2 ZINC000101011543 554558041 /nfs/dbraw/zinc/55/80/41/554558041.db2.gz SVZXZSOUITVNHK-SFHVURJKSA-N 0 0 585.221 5.221 50 30 KKEARN O=C(Nc1ccccc1C(=O)OC/C(=N/OC(=O)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000101062795 554570655 /nfs/dbraw/zinc/57/06/55/554570655.db2.gz SMEDMYLGGQSLIG-FSRJSHLRSA-N 0 0 557.400 6.120 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069931 554574619 /nfs/dbraw/zinc/57/46/19/554574619.db2.gz VNSDGVMOAWJQTL-NHFXJNLRSA-N 0 0 513.185 5.838 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069911 554574639 /nfs/dbraw/zinc/57/46/39/554574639.db2.gz JRBRXFPHOKSFLY-NHFXJNLRSA-N 0 0 513.185 5.838 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000101071422 554575666 /nfs/dbraw/zinc/57/56/66/554575666.db2.gz NLIWNOFAPKXMLI-FQEVSTJZSA-N 0 0 519.827 6.147 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1 ZINC000101071368 554575759 /nfs/dbraw/zinc/57/57/59/554575759.db2.gz FPYOAVPAIDYKRJ-UHFFFAOYSA-N 0 0 573.358 8.646 50 30 KKEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1ccc(Br)s1 ZINC000101089876 554581631 /nfs/dbraw/zinc/58/16/31/554581631.db2.gz IBNBTFDDFCJJTB-YEJXKQKISA-N 0 0 524.465 6.009 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1OC ZINC000101090643 554581923 /nfs/dbraw/zinc/58/19/23/554581923.db2.gz HKVPAQSCDAHLLW-VHTFNZBYSA-N 0 0 543.967 5.337 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101100454 554587501 /nfs/dbraw/zinc/58/75/01/554587501.db2.gz AFEWREXGHFSXFU-VRLIQKKKSA-N 0 0 533.613 6.574 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)ccc1OCc1ccccc1 ZINC000101101286 554588211 /nfs/dbraw/zinc/58/82/11/554588211.db2.gz IAHYSFPVCVAELP-DFXXOVSGSA-N 0 0 569.455 6.353 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000101101297 554638853 /nfs/dbraw/zinc/63/88/53/554638853.db2.gz AVCBUPMCZCVYTC-DFXXOVSGSA-N 0 0 569.455 6.353 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(\C)c5ccc(C)cc5)nc4c32)cc1 ZINC000101117294 554643388 /nfs/dbraw/zinc/64/33/88/554643388.db2.gz JMWZOHDPLXDKMT-MRZUYAQASA-N 0 0 541.611 6.821 50 30 KKEARN O=C(/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nnc(-c2cccc(Br)c2)o1)c1ccccc1 ZINC000101126978 554646071 /nfs/dbraw/zinc/64/60/71/554646071.db2.gz YMYZVDYUENGSSB-SGWCAAJKSA-N 0 0 548.249 7.207 50 30 KKEARN N#Cc1ccc(C#N)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(C#N)ccc(C#N)c5c4)c(Br)c3)ccc12 ZINC000101144563 554655662 /nfs/dbraw/zinc/65/56/62/554655662.db2.gz JDSKAINDZBCROD-WMWQKROPSA-N 0 0 561.442 8.583 50 30 KKEARN CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(C)(C)C ZINC000101145446 554655920 /nfs/dbraw/zinc/65/59/20/554655920.db2.gz IJFFARBIZKKZOA-PVKOWITJSA-N 0 0 606.921 7.255 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000101156811 554658771 /nfs/dbraw/zinc/65/87/71/554658771.db2.gz BQVYVLQDZBLVLO-NHRFMIRVSA-N 0 0 590.676 6.427 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl ZINC000101184758 554668727 /nfs/dbraw/zinc/66/87/27/554668727.db2.gz SIUNUUVGSQPFHV-UHFFFAOYSA-N 0 0 563.352 9.190 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)c(Br)c1 ZINC000101184766 554668964 /nfs/dbraw/zinc/66/89/64/554668964.db2.gz XZLSKCKUIHFDEM-UHFFFAOYSA-N 0 0 591.348 8.785 50 30 KKEARN CCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)C[C@@H](c2c(C)cc(C)cc2C)[C@H](C(=O)OC)C1=O ZINC000101194083 554671617 /nfs/dbraw/zinc/67/16/17/554671617.db2.gz QRECMYJZBSYCJO-CNFHINPRSA-N 0 0 535.644 6.009 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000101194584 554671805 /nfs/dbraw/zinc/67/18/05/554671805.db2.gz BLAYSRDLQMWOLT-YKGWIAGDSA-N 0 0 549.664 5.432 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC ZINC000101194674 554671830 /nfs/dbraw/zinc/67/18/30/554671830.db2.gz OMXZDUZHAPEPFY-NGOKVRLYSA-N 0 0 537.678 5.370 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000101194662 554671839 /nfs/dbraw/zinc/67/18/39/554671839.db2.gz SKEYCVBZIHKINN-YKGWIAGDSA-N 0 0 549.664 5.816 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204543 554674590 /nfs/dbraw/zinc/67/45/90/554674590.db2.gz RDRDQDBHKRTBIC-CLYVBNDRSA-N 0 0 616.505 5.122 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101204493 554674606 /nfs/dbraw/zinc/67/46/06/554674606.db2.gz VUSFXZSLIZCAHC-UDNBHOFDSA-N 0 0 589.685 5.875 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101204558 554674607 /nfs/dbraw/zinc/67/46/07/554674607.db2.gz DYABTWZZEFCGBA-HMILPKGGSA-N 0 0 630.532 5.512 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000101204703 554674780 /nfs/dbraw/zinc/67/47/80/554674780.db2.gz FPQGSJRLDYYUCE-DNOBIOAJSA-N 0 0 616.505 5.122 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=N)S1 ZINC000101207266 554676733 /nfs/dbraw/zinc/67/67/33/554676733.db2.gz NVRFWTKFOYKLDI-AWMDUDEPSA-N 0 0 500.043 6.866 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CC(C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000101208771 554677842 /nfs/dbraw/zinc/67/78/42/554677842.db2.gz KKRNXXJLFWXEHE-UHFFFAOYSA-N 0 0 549.615 5.369 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101208967 554678095 /nfs/dbraw/zinc/67/80/95/554678095.db2.gz JKPUIEUAFVHZTC-UHFFFAOYSA-N 0 0 535.431 6.122 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000101209548 554678287 /nfs/dbraw/zinc/67/82/87/554678287.db2.gz RNCWFOCRYZSREB-UHFFFAOYSA-N 0 0 565.457 6.130 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209776 554678491 /nfs/dbraw/zinc/67/84/91/554678491.db2.gz JYPNCZKPJNECTG-HSZRJFAPSA-N 0 0 539.053 5.272 50 30 KKEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1=O ZINC000101210581 554679280 /nfs/dbraw/zinc/67/92/80/554679280.db2.gz LREOLBWIOSEVBB-CCOBIQQASA-N 0 0 538.611 6.124 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)c1cccc2ccccc21 ZINC000101211934 554679457 /nfs/dbraw/zinc/67/94/57/554679457.db2.gz IDHFTQNFFXFQGJ-UHFFFAOYSA-N 0 0 595.051 6.186 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101212659 554679770 /nfs/dbraw/zinc/67/97/70/554679770.db2.gz YVGIOPIELLYDLK-JKFCTSDTSA-N 0 0 613.776 6.941 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101212687 554679786 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CCOc1cc([C@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212904 554680210 /nfs/dbraw/zinc/68/02/10/554680210.db2.gz BYFAUIUQQWPRQU-ZOGCEEFFSA-N 0 0 628.560 6.577 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212882 554680235 /nfs/dbraw/zinc/68/02/35/554680235.db2.gz VPKPSLHVOJYBGT-UVMFRMCBSA-N 0 0 581.709 6.844 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101218330 554685470 /nfs/dbraw/zinc/68/54/70/554685470.db2.gz WTALXVWVVHEWKK-ACSYHNTCSA-N 0 0 614.533 5.805 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101218386 554685483 /nfs/dbraw/zinc/68/54/83/554685483.db2.gz PWTSVGHRURVVQH-JADSYQMUSA-N 0 0 611.735 6.613 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218466 554685508 /nfs/dbraw/zinc/68/55/08/554685508.db2.gz SGEOPJKFOPRWQM-RUZDIDTESA-N 0 0 545.126 5.400 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218568 554685616 /nfs/dbraw/zinc/68/56/16/554685616.db2.gz BILNBEPJXZBYSR-UHFFFAOYSA-N 0 0 551.068 5.325 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218778 554685950 /nfs/dbraw/zinc/68/59/50/554685950.db2.gz PELITVIBTGDMFZ-UHFFFAOYSA-N 0 0 535.069 5.625 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219305 554686122 /nfs/dbraw/zinc/68/61/22/554686122.db2.gz FBMZCXYCEIFOJC-UHFFFAOYSA-N 0 0 537.041 5.017 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220660 554686560 /nfs/dbraw/zinc/68/65/60/554686560.db2.gz YFLFUUPOQXPELU-WVXBCFDCSA-N 0 0 577.599 6.828 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101220627 554686577 /nfs/dbraw/zinc/68/65/77/554686577.db2.gz JABVDCLSPCPEHU-UBOZLPQGSA-N 0 0 567.682 6.596 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220655 554686580 /nfs/dbraw/zinc/68/65/80/554686580.db2.gz YFLFUUPOQXPELU-DJUQAAIZSA-N 0 0 577.599 6.828 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000101220750 554686885 /nfs/dbraw/zinc/68/68/85/554686885.db2.gz BAULUEPOCZVQCG-SLGOVJDISA-N 0 0 607.625 6.706 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000101220813 554687114 /nfs/dbraw/zinc/68/71/14/554687114.db2.gz STGXCASOUXDTNU-XBBWARJSSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237398 554691919 /nfs/dbraw/zinc/69/19/19/554691919.db2.gz FAXYYQGOUHWXJG-IGKIAQTJSA-N 0 0 566.624 5.114 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC3CCCCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237404 554691985 /nfs/dbraw/zinc/69/19/85/554691985.db2.gz FAXYYQGOUHWXJG-SHQCIBLASA-N 0 0 566.624 5.114 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237628 554692199 /nfs/dbraw/zinc/69/21/99/554692199.db2.gz AYNPKDPHSLIQFN-UHSQPCAPSA-N 0 0 588.630 5.024 50 30 KKEARN CCOc1ccc(Cl)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)n(-c2ccccc2)c1=O ZINC000101248570 554693837 /nfs/dbraw/zinc/69/38/37/554693837.db2.gz LXWVKMZLNYODEH-FYIQHRETSA-N 0 0 544.076 5.216 50 30 KKEARN COc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OC)c(Cn4nc(C)cc4C)c3)C2=O)cc1Cn1nc(C)cc1C ZINC000101257718 554697057 /nfs/dbraw/zinc/69/70/57/554697057.db2.gz RMTVYCITKUYJAZ-RVSCTIAXSA-N 0 0 565.718 5.409 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2cc(OC)c(OC)cc2OC)C1=O ZINC000101256272 554697061 /nfs/dbraw/zinc/69/70/61/554697061.db2.gz ATKGRAZNJZLRKG-DWGHPKEWSA-N 0 0 545.632 5.290 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276762 554702956 /nfs/dbraw/zinc/70/29/56/554702956.db2.gz CAZODXHWYGAACF-TXTDGAROSA-N 0 0 594.689 6.616 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277735 554704285 /nfs/dbraw/zinc/70/42/85/554704285.db2.gz RLGDCJMKYZHUEJ-NEMSTITPSA-N 0 0 558.656 5.867 50 30 KKEARN CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cc(Br)ccc1F ZINC000101285179 554705718 /nfs/dbraw/zinc/70/57/18/554705718.db2.gz LUMVWSDJVHLDDO-HSZRJFAPSA-N 0 0 500.412 6.740 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101286491 554705956 /nfs/dbraw/zinc/70/59/56/554705956.db2.gz UNBMOKVZSOREKO-OAQYLSRUSA-N 0 0 526.033 6.064 50 30 KKEARN COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101286489 554705994 /nfs/dbraw/zinc/70/59/94/554705994.db2.gz UNBMOKVZSOREKO-NRFANRHFSA-N 0 0 526.033 6.064 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287771 554706574 /nfs/dbraw/zinc/70/65/74/554706574.db2.gz SDZHNVPQYIHVDO-ZHHPLPSFSA-N 0 0 505.368 5.031 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101288285 554706628 /nfs/dbraw/zinc/70/66/28/554706628.db2.gz KGCGRCQXGYZFHS-HOGKFDNTSA-N 0 0 518.591 5.128 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1Cl ZINC000101292557 554709155 /nfs/dbraw/zinc/70/91/55/554709155.db2.gz LXVRVYJDRLGNOV-FQEVSTJZSA-N 0 0 546.907 7.223 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293981 554710256 /nfs/dbraw/zinc/71/02/56/554710256.db2.gz QAGIMRTVJNGESB-NXLSWJSLSA-N 0 0 500.551 5.935 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101293837 554710281 /nfs/dbraw/zinc/71/02/81/554710281.db2.gz IBIVLBGPLXQDSM-XXASTYAFSA-N 0 0 540.641 6.421 50 30 KKEARN COc1cc(OC)c([C@H]2c3c([nH]nc3-c3ccc(Br)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101293946 554710383 /nfs/dbraw/zinc/71/03/83/554710383.db2.gz ODLWXGGPACJERK-JOCHJYFZSA-N 0 0 538.442 6.066 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294247 554710971 /nfs/dbraw/zinc/71/09/71/554710971.db2.gz MZFYKDGBAYVSFI-UJWLLDLUSA-N 0 0 542.588 5.950 50 30 KKEARN COc1ccc(/C(=N/OC(=O)c2cc(Cl)ccc2OC)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000101297522 554712487 /nfs/dbraw/zinc/71/24/87/554712487.db2.gz WILVQFCUHPHQLI-ZXPTYKNPSA-N 0 0 536.968 5.541 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000101310217 554717021 /nfs/dbraw/zinc/71/70/21/554717021.db2.gz YRAXBYHMDIMMDU-JVJOXMINSA-N 0 0 515.562 5.188 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310239 554717284 /nfs/dbraw/zinc/71/72/84/554717284.db2.gz DCHFWOOTLYCADW-HTUFKCTLSA-N 0 0 574.655 5.567 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310431 554718138 /nfs/dbraw/zinc/71/81/38/554718138.db2.gz WCRQFNUAPCZIIH-WGGXKBPPSA-N 0 0 614.676 6.056 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312855 554720857 /nfs/dbraw/zinc/72/08/57/554720857.db2.gz WUPCBLURMQWBCY-HATVSKDLSA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101312872 554721077 /nfs/dbraw/zinc/72/10/77/554721077.db2.gz VXPJRFYCQQVTRA-UOWMXVQPSA-N 0 0 570.620 6.372 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313376 554721864 /nfs/dbraw/zinc/72/18/64/554721864.db2.gz RHZWNBUVTBSJLJ-NXLSWJSLSA-N 0 0 500.551 5.935 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313659 554721905 /nfs/dbraw/zinc/72/19/05/554721905.db2.gz PTRACXRQXCDCRQ-VURVUJTCSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313701 554722204 /nfs/dbraw/zinc/72/22/04/554722204.db2.gz DSCIFORAMALDTG-YMMFOPJESA-N 0 0 560.628 5.143 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316433 554723714 /nfs/dbraw/zinc/72/37/14/554723714.db2.gz FOVUMZIZTFEANM-IIHDFJPDSA-N 0 0 572.639 5.309 50 30 KKEARN C=CCc1cccc([C@H]2OC(c3cc(Br)ccc3OCc3ccccc3)=NN2C(C)=O)c1OC(C)=O ZINC000101332820 554733859 /nfs/dbraw/zinc/73/38/59/554733859.db2.gz CBZUFFPMAUQDEY-MUUNZHRXSA-N 0 0 549.421 5.921 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344599 554736811 /nfs/dbraw/zinc/73/68/11/554736811.db2.gz NAVPZQSWSJNTBC-VWLOTQADSA-N 0 0 610.786 7.608 50 30 KKEARN Cc1nc(Sc2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000101346065 554737361 /nfs/dbraw/zinc/73/73/61/554737361.db2.gz AAIIJPUKZHAXRI-QHCPKHFHSA-N 0 0 570.136 5.557 50 30 KKEARN CCCCCCCCCCCC[C@@H](CCC(=O)NOCc1ccccc1)C(=O)NOCc1ccccc1 ZINC000101356785 554740521 /nfs/dbraw/zinc/74/05/21/554740521.db2.gz SEUQKFSZJIZJJH-LJAQVGFWSA-N 0 0 510.719 7.190 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1CO ZINC000101358616 554741344 /nfs/dbraw/zinc/74/13/44/554741344.db2.gz PKBAHLATVMBYGR-AZWXHJKFSA-N 0 0 569.783 6.671 50 30 KKEARN C=CCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2Cl)cnc1S(=O)(=O)Cc1ccccc1 ZINC000101366057 554743675 /nfs/dbraw/zinc/74/36/75/554743675.db2.gz IFVWPJQJWOGEKT-QFIPXVFZSA-N 0 0 548.492 5.171 50 30 KKEARN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367823 554744211 /nfs/dbraw/zinc/74/42/11/554744211.db2.gz IGQKJFQAEDQUAG-UHFFFAOYSA-N 0 0 538.673 6.973 50 30 KKEARN C=CCn1c(SCc2cc(F)c(F)c(F)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367791 554744269 /nfs/dbraw/zinc/74/42/69/554744269.db2.gz BIVPOGXRTWQANK-UHFFFAOYSA-N 0 0 578.616 7.082 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000101381439 554748531 /nfs/dbraw/zinc/74/85/31/554748531.db2.gz IXDFEFZYIVNVJU-MDVFONAFSA-N 0 0 557.050 5.407 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@@H]1c1ccc(C)cc1C ZINC000101384833 554748995 /nfs/dbraw/zinc/74/89/95/554748995.db2.gz XROICQISCWKBMH-AREMUKBSSA-N 0 0 505.615 5.453 50 30 KKEARN Cc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@]3(O)C(F)(F)C(F)(F)C(F)(F)C(F)F)n2)cc1 ZINC000101384490 554749024 /nfs/dbraw/zinc/74/90/24/554749024.db2.gz UPXOPWREKGQNDR-FQEVSTJZSA-N 0 0 535.460 6.593 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(OCc4ccccc4)cc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101416356 554765331 /nfs/dbraw/zinc/76/53/31/554765331.db2.gz XWPHYVWAEJBKBW-ZHSUKTGHSA-N 0 0 607.471 6.420 50 30 KKEARN C=CCc1ccccc1OCCn1c(C)c(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000101424648 554768029 /nfs/dbraw/zinc/76/80/29/554768029.db2.gz PEQGUFVZHJJWJA-PNJKCCQOSA-N 0 0 575.694 6.455 50 30 KKEARN CC(C)(C)OC(=O)N[C@H](C(=O)O/N=c1/oc2cc3c(cc2c2c1CCCC2)CCC1(CCCCC1)O3)c1ccccc1 ZINC000101478867 554782825 /nfs/dbraw/zinc/78/28/25/554782825.db2.gz YGDDFMVDHPKDRK-PYWOLSFUSA-N 0 0 572.702 6.964 50 30 KKEARN CCOc1cc(/C=C(\C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccccc1Cl ZINC000101483349 554785046 /nfs/dbraw/zinc/78/50/46/554785046.db2.gz AFEFECJHMNOFLU-CVKSISIWSA-N 0 0 570.041 7.900 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc3ccccc32)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000101500842 554788420 /nfs/dbraw/zinc/78/84/20/554788420.db2.gz PTYMOIWIZBUHBI-UTONBFNKSA-N 0 0 548.082 7.641 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3cn(C(C)=O)nc3-c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101510013 554792318 /nfs/dbraw/zinc/79/23/18/554792318.db2.gz VSBTYUXIHXYZDV-QNQJOHRQSA-N 0 0 524.602 6.036 50 30 KKEARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(NC5=C3C(=O)CCC5)c3ccccc3C4=O)cc2)cc1 ZINC000101513678 554793429 /nfs/dbraw/zinc/79/34/29/554793429.db2.gz UENSKEASTWCDKD-SANMLTNESA-N 0 0 540.597 5.555 50 30 KKEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc43)C(=O)N2CC)cc1 ZINC000101524011 554794025 /nfs/dbraw/zinc/79/40/25/554794025.db2.gz JUWPGMLDDLSRLK-CWQCNDBQSA-N 0 0 615.549 7.982 50 30 KKEARN COCCN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)S/C1=N/c1ccccc1 ZINC000101633447 554812153 /nfs/dbraw/zinc/81/21/53/554812153.db2.gz JOKAPXNHHOYNBT-NMWOXSQGSA-N 0 0 517.654 7.093 50 30 KKEARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000101643952 554814830 /nfs/dbraw/zinc/81/48/30/554814830.db2.gz MOVXNCIHYPZDSF-ZMOGYAJESA-N 0 0 562.445 5.883 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(OCC#N)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101671015 554824458 /nfs/dbraw/zinc/82/44/58/554824458.db2.gz KADKFKIVIXTPDQ-UOWMXVQPSA-N 0 0 581.628 5.579 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(Cl)c1C)C[C@](C)(c1cccnc1)O2 ZINC000101683645 554828933 /nfs/dbraw/zinc/82/89/33/554828933.db2.gz DPXMMEMJZOHIBP-JAEXJDJPSA-N 0 0 539.057 5.374 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000101720867 554832466 /nfs/dbraw/zinc/83/24/66/554832466.db2.gz HMXBUPLGDSEVFK-JJFYIABZSA-N 0 0 588.867 6.798 50 30 KKEARN C=C(CBr)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000027524786 561865804 /nfs/dbraw/zinc/86/58/04/561865804.db2.gz ARLHMKGOWJBLNG-MQXQNARFSA-N 0 0 605.698 8.514 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000101865610 554845164 /nfs/dbraw/zinc/84/51/64/554845164.db2.gz YGNJHUSRTRODHH-DCFHFQCYSA-N 0 0 501.604 5.438 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000101891373 554846456 /nfs/dbraw/zinc/84/64/56/554846456.db2.gz MIMDHFCIKGMUQT-UBGHKXEESA-N 0 0 529.584 7.829 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nnc(-c2ccc(Br)o2)o1 ZINC000101998906 554865579 /nfs/dbraw/zinc/86/55/79/554865579.db2.gz JUUVPTLNBSJWIT-UHFFFAOYSA-N 0 0 550.438 6.408 50 30 KKEARN CCCCCCCCCCCCCCCCNc1c(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102041893 554869808 /nfs/dbraw/zinc/86/98/08/554869808.db2.gz JTHMEVWFBBFDFD-UHFFFAOYSA-N 0 0 595.568 9.955 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000102051920 554871444 /nfs/dbraw/zinc/87/14/44/554871444.db2.gz OGCDCQAKQZHZTK-JRPXNJEYSA-N 0 0 568.630 5.307 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc(OC)c1OC ZINC000102051325 554871521 /nfs/dbraw/zinc/87/15/21/554871521.db2.gz UOWDGRGWKVKIKG-WRONEBCDSA-N 0 0 556.062 6.818 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000102052577 554871939 /nfs/dbraw/zinc/87/19/39/554871939.db2.gz BJBUJJBVJOZCMQ-QLXKLKPCSA-N 0 0 562.453 6.448 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2cccc(Br)c2)cc1OC ZINC000102052689 554871988 /nfs/dbraw/zinc/87/19/88/554871988.db2.gz KLMXAPULSDZPQJ-SIBVEZHUSA-N 0 0 572.459 5.904 50 30 KKEARN O=C(Nc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057071 554873085 /nfs/dbraw/zinc/87/30/85/554873085.db2.gz CYTKYFLFQCOBGM-UHFFFAOYSA-N 0 0 540.078 6.922 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102058372 554873087 /nfs/dbraw/zinc/87/30/87/554873087.db2.gz FEKOTZPIFCDYRP-UHFFFAOYSA-N 0 0 578.070 7.419 50 30 KKEARN CCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc3c(c2)C(=O)[C@@H](Sc2cccc4cccnc42)C3)C1=O ZINC000102057613 554873091 /nfs/dbraw/zinc/87/30/91/554873091.db2.gz LLBLXBWTJPYQCX-HKFHRXRESA-N 0 0 612.880 9.885 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076591 554874812 /nfs/dbraw/zinc/87/48/12/554874812.db2.gz RAEKSADRALQULQ-FPRSLYQBSA-N 0 0 589.113 7.324 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102076654 554874874 /nfs/dbraw/zinc/87/48/74/554874874.db2.gz AAULGPJBJLMINA-XKHRQMKWSA-N 0 0 529.637 5.143 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=c1/s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000102078347 554875531 /nfs/dbraw/zinc/87/55/31/554875531.db2.gz ZQMKFVKQHKGZIE-VCJSPDFESA-N 0 0 571.283 5.110 50 30 KKEARN N#Cc1ccc(C(=O)OC(c2nnc(-c3ccccc3)o2)(c2nnc(-c3ccccc3)o2)c2ccc(C#N)cc2)cc1 ZINC000102157768 554889904 /nfs/dbraw/zinc/88/99/04/554889904.db2.gz WCTPVUKGHPLXJI-UHFFFAOYSA-N 0 0 550.534 5.679 50 30 KKEARN O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)[C@@H]1CCCC(=Cc2ccco2)C1=O ZINC000102159599 554890148 /nfs/dbraw/zinc/89/01/48/554890148.db2.gz LNWFOZSQLNZJSJ-HCDXYDHASA-N 0 0 524.400 5.733 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)ccc1OCC(C)C ZINC000102175495 554892277 /nfs/dbraw/zinc/89/22/77/554892277.db2.gz IVRVLGTZCIQESP-ZORLYMSLSA-N 0 0 548.639 6.839 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)C3CCCCC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102258224 554904983 /nfs/dbraw/zinc/90/49/83/554904983.db2.gz HUHHJUYSKDYJIY-HHHXNRCGSA-N 0 0 507.700 6.295 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@H]1c1ccc(C)cc1C ZINC000102258672 554904987 /nfs/dbraw/zinc/90/49/87/554904987.db2.gz IJGPLKZZAOSNMP-MHZLTWQESA-N 0 0 501.652 5.656 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(COc3ccc(Cl)cc3)n1Cc1ccccc1)CCCC2 ZINC000102274029 554906133 /nfs/dbraw/zinc/90/61/33/554906133.db2.gz AQFOIHGNPXXHRR-UHFFFAOYSA-N 0 0 550.109 6.102 50 30 KKEARN COc1ccc(/C=C/C(=O)c2sc(-c3nc(C)c(C(=O)/C=C/c4ccc(OC)c(OC)c4)s3)nc2C)cc1OC ZINC000102299890 554908138 /nfs/dbraw/zinc/90/81/38/554908138.db2.gz VJRXNWCPACAFGQ-MKICQXMISA-N 0 0 576.696 6.710 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C(/c1ccccc1Cl)N1CCOCC1 ZINC000102313479 554910223 /nfs/dbraw/zinc/91/02/23/554910223.db2.gz IBXVOJXKYXQZNN-OHYPFYFLSA-N 0 0 528.203 6.735 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(C)c2ccccc2n1-c1ccccc1 ZINC000102313248 554910244 /nfs/dbraw/zinc/91/02/44/554910244.db2.gz YSTUFMBSCCHSJX-KARKAFJISA-N 0 0 537.814 8.155 50 30 KKEARN CCCCCCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C(=O)c4ccco4)CC3)c(F)cc2c1=O ZINC000102404147 554920235 /nfs/dbraw/zinc/92/02/35/554920235.db2.gz WUJSTEXUJCIHJQ-UHFFFAOYSA-N 0 0 580.745 6.367 50 30 KKEARN N#Cc1c(SCc2cc(=O)n3cc(Br)ccc3n2)nc(-c2cccs2)cc1C(F)(F)F ZINC000102413079 554923818 /nfs/dbraw/zinc/92/38/18/554923818.db2.gz YPNXSFUPICBXFY-UHFFFAOYSA-N 0 0 523.359 5.763 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000102414607 554924608 /nfs/dbraw/zinc/92/46/08/554924608.db2.gz WGAAJSQLLVXUMF-YTMVLYRLSA-N 0 0 553.928 8.694 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000102435929 554928075 /nfs/dbraw/zinc/92/80/75/554928075.db2.gz XDOGVCPXVNRHKI-VCFSBHLASA-N 0 0 619.515 6.958 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102483856 554937647 /nfs/dbraw/zinc/93/76/47/554937647.db2.gz SOYUDVXGWWMOBB-MOBKVPTQSA-N 0 0 504.633 6.290 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102491142 554939041 /nfs/dbraw/zinc/93/90/41/554939041.db2.gz IMBXFKDURFJZGX-VEZPTTSMSA-N 0 0 593.721 8.406 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102493816 554939936 /nfs/dbraw/zinc/93/99/36/554939936.db2.gz RYDSOYNSHYUJCO-MOBKVPTQSA-N 0 0 535.419 6.002 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000102499529 554941915 /nfs/dbraw/zinc/94/19/15/554941915.db2.gz YFCPPBHEUULKFM-QMMFTLRZSA-N 0 0 600.613 9.491 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102499851 554942479 /nfs/dbraw/zinc/94/24/79/554942479.db2.gz RGNXJKWPSKQRDJ-JHRPXHEESA-N 0 0 582.656 7.383 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102501771 554943349 /nfs/dbraw/zinc/94/33/49/554943349.db2.gz LJTZMNIPVNBEDK-QMMFTLRZSA-N 0 0 518.613 6.153 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000102506455 554944591 /nfs/dbraw/zinc/94/45/91/554944591.db2.gz IBHMEEXIVIBLNP-TXTDGAROSA-N 0 0 577.519 6.100 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102509649 554946044 /nfs/dbraw/zinc/94/60/44/554946044.db2.gz BSUDCSNARKTNDZ-FCLPXNLHSA-N 0 0 525.645 6.243 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102510964 554946205 /nfs/dbraw/zinc/94/62/05/554946205.db2.gz BZXXGZRQFHNXQU-IUKMQXEJSA-N 0 0 516.594 6.584 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000102511053 554946284 /nfs/dbraw/zinc/94/62/84/554946284.db2.gz WESKHICAZPESDH-MIOXIQPJSA-N 0 0 569.610 5.815 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102511584 554946505 /nfs/dbraw/zinc/94/65/05/554946505.db2.gz UQWUGRQCZKVAHF-AYWGPLOBSA-N 0 0 514.559 5.026 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102515884 554947866 /nfs/dbraw/zinc/94/78/66/554947866.db2.gz ITCVHJMQILTQIH-COUQNMRISA-N 0 0 504.995 6.201 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102518127 554948766 /nfs/dbraw/zinc/94/87/66/554948766.db2.gz OJMOWWZMOLRRJF-NPJIAGGLSA-N 0 0 528.630 6.237 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518447 554948950 /nfs/dbraw/zinc/94/89/50/554948950.db2.gz WMQGRYQVOACUQP-ONQGDUAMSA-N 0 0 614.676 5.856 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102520578 554949701 /nfs/dbraw/zinc/94/97/01/554949701.db2.gz NYTKUPGSCQKRFZ-MIOXIQPJSA-N 0 0 595.523 6.025 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102521826 554949863 /nfs/dbraw/zinc/94/98/63/554949863.db2.gz UGEXIGFWZBLFFB-DZTJFIFISA-N 0 0 513.590 5.082 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102526054 554951857 /nfs/dbraw/zinc/95/18/57/554951857.db2.gz OQFPNLUCEJIRBD-QZDFLZESSA-N 0 0 555.671 6.600 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102526190 554951926 /nfs/dbraw/zinc/95/19/26/554951926.db2.gz SPPCKRLCKHVVIX-HOGKFDNTSA-N 0 0 535.419 6.002 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531194 554953927 /nfs/dbraw/zinc/95/39/27/554953927.db2.gz YKNXEQHURLVANE-SBXHHDGASA-N 0 0 502.592 6.346 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531522 554954067 /nfs/dbraw/zinc/95/40/67/554954067.db2.gz POGGZIIQASDNEN-NXLSWJSLSA-N 0 0 546.601 5.347 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102531941 554954115 /nfs/dbraw/zinc/95/41/15/554954115.db2.gz VDXJYORLDFEECC-GSYBUTJLSA-N 0 0 557.643 5.446 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102531781 554954172 /nfs/dbraw/zinc/95/41/72/554954172.db2.gz LDQYQNCHKKKGMT-ZHHPLPSFSA-N 0 0 507.384 5.255 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102532464 554954422 /nfs/dbraw/zinc/95/44/22/554954422.db2.gz ZMJWDWWDHBXDTB-MOBKVPTQSA-N 0 0 544.833 5.210 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000102535249 554955327 /nfs/dbraw/zinc/95/53/27/554955327.db2.gz HUZMCFJHUIYIAF-CZNAVJSXSA-N 0 0 568.651 6.142 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102535769 554955352 /nfs/dbraw/zinc/95/53/52/554955352.db2.gz ALENWTZXHGELJI-VEZPTTSMSA-N 0 0 518.613 6.153 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102538733 554956574 /nfs/dbraw/zinc/95/65/74/554956574.db2.gz ZOJCZYWRBYAXKV-BUANBSPESA-N 0 0 502.661 6.898 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102539226 554956896 /nfs/dbraw/zinc/95/68/96/554956896.db2.gz MWFGSGPXLUIKNB-HOGKFDNTSA-N 0 0 535.419 6.002 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102540292 554957342 /nfs/dbraw/zinc/95/73/42/554957342.db2.gz WTAKFKPURSGWNP-TXTDGAROSA-N 0 0 514.622 5.559 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000102544949 554958751 /nfs/dbraw/zinc/95/87/51/554958751.db2.gz SKTQMKMYCHQCCF-KFLIVHAJSA-N 0 0 577.633 5.710 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102544721 554958809 /nfs/dbraw/zinc/95/88/09/554958809.db2.gz QMTRYSCYTFUDTA-VEZPTTSMSA-N 0 0 557.643 5.903 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102545649 554959067 /nfs/dbraw/zinc/95/90/67/554959067.db2.gz GNNFARCFDRFMIP-ZTLVYLBESA-N 0 0 575.484 6.625 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1OC ZINC000102547845 554960158 /nfs/dbraw/zinc/96/01/58/554960158.db2.gz KNOFZCJCJWTPHG-TXTDGAROSA-N 0 0 531.605 5.049 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1OC ZINC000102547837 554960165 /nfs/dbraw/zinc/96/01/65/554960165.db2.gz KNOFZCJCJWTPHG-DFXXOVSGSA-N 0 0 531.605 5.049 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102548631 554960549 /nfs/dbraw/zinc/96/05/49/554960549.db2.gz QDJLITPFNHGVSS-RFRSNRLQSA-N 0 0 614.720 6.744 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553038 554963191 /nfs/dbraw/zinc/96/31/91/554963191.db2.gz LFCUWFMYFYHXCH-TXTDGAROSA-N 0 0 586.666 6.271 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102556435 554964629 /nfs/dbraw/zinc/96/46/29/554964629.db2.gz WQBLEUNPRHFSTC-LFYFOVNNSA-N 0 0 510.615 6.171 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102556898 554964961 /nfs/dbraw/zinc/96/49/61/554964961.db2.gz GBQQPLJVFAPVAL-NPJIAGGLSA-N 0 0 514.603 5.892 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102559146 554966489 /nfs/dbraw/zinc/96/64/89/554966489.db2.gz WKVNYRAWKOVRQD-YELMDPSYSA-N 0 0 549.627 5.298 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560592 554968002 /nfs/dbraw/zinc/96/80/02/554968002.db2.gz ZHRRITAEDLOUBC-CDMMYUFDSA-N 0 0 622.674 6.973 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102562762 554968568 /nfs/dbraw/zinc/96/85/68/554968568.db2.gz KUWBIPVPBQHEKA-WBMUNJTESA-N 0 0 512.587 5.563 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102563266 554968840 /nfs/dbraw/zinc/96/88/40/554968840.db2.gz BXQHQUBNEOHPCP-ZHJYXLETSA-N 0 0 535.600 5.511 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102569643 554970224 /nfs/dbraw/zinc/97/02/24/554970224.db2.gz AVHYVSJRHSXRKN-CWMDRHISSA-N 0 0 574.630 6.183 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102568937 554970296 /nfs/dbraw/zinc/97/02/96/554970296.db2.gz NJBLRTBZKKKBCY-XTUFCYCQSA-N 0 0 570.667 6.434 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586138 554973335 /nfs/dbraw/zinc/97/33/35/554973335.db2.gz JVEIDLADPWFWMF-LLAWDOGUSA-N 0 0 558.631 6.564 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000102587132 554973608 /nfs/dbraw/zinc/97/36/08/554973608.db2.gz OLVJDSQBEYBGHV-VEZPTTSMSA-N 0 0 521.717 8.729 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102595817 554976859 /nfs/dbraw/zinc/97/68/59/554976859.db2.gz BPUMWOLFMXIFCF-VEZPTTSMSA-N 0 0 614.720 6.826 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606128 554978725 /nfs/dbraw/zinc/97/87/25/554978725.db2.gz WDJFNRFVGKJLCP-IZHWHUGBSA-N 0 0 535.622 5.140 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606133 554978829 /nfs/dbraw/zinc/97/88/29/554978829.db2.gz WDJFNRFVGKJLCP-OYLFLEFRSA-N 0 0 535.622 5.140 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102608950 554980522 /nfs/dbraw/zinc/98/05/22/554980522.db2.gz QCMMDOSYTRQXQC-DFXXOVSGSA-N 0 0 535.556 5.499 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)cc2=O)cc1 ZINC000102612053 554981747 /nfs/dbraw/zinc/98/17/47/554981747.db2.gz HGCGWBVOLGYYIS-UHFFFAOYSA-N 0 0 573.571 5.734 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102640475 554990421 /nfs/dbraw/zinc/99/04/21/554990421.db2.gz ASIDBJZYENHVAF-DNNDWWBDSA-N 0 0 545.632 6.049 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)C=Cc1ccccc1 ZINC000102642068 554991005 /nfs/dbraw/zinc/99/10/05/554991005.db2.gz PUAYGBWLYCBSLP-HNTAREFTSA-N 0 0 552.324 5.382 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102650323 554995665 /nfs/dbraw/zinc/99/56/65/554995665.db2.gz UVJYGFAVVGCXRT-KBNMONRCSA-N 0 0 561.634 6.220 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650942 554995670 /nfs/dbraw/zinc/99/56/70/554995670.db2.gz LLRCBKKAZMGIJC-KLNYLHOZSA-N 0 0 565.478 7.170 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651560 554996179 /nfs/dbraw/zinc/99/61/79/554996179.db2.gz CHIANQSMUNBYCC-AYWGPLOBSA-N 0 0 548.617 5.149 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651494 554996196 /nfs/dbraw/zinc/99/61/96/554996196.db2.gz ZVUXVOHNCRCTPF-FZIYRNTBSA-N 0 0 596.661 5.767 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652508 554996816 /nfs/dbraw/zinc/99/68/16/554996816.db2.gz XXCKYHABQAHDNN-JDSQIOQSSA-N 0 0 586.666 6.052 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102652889 554996847 /nfs/dbraw/zinc/99/68/47/554996847.db2.gz IDKQRYIGJSPLJL-RWMNMRIUSA-N 0 0 556.659 5.995 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102652563 554996938 /nfs/dbraw/zinc/99/69/38/554996938.db2.gz MYUVHRGEGQOLGL-VZHVMDKCSA-N 0 0 572.639 5.662 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102654026 554997464 /nfs/dbraw/zinc/99/74/64/554997464.db2.gz BXBOPXKYVOKMOI-TVKWNQJWSA-N 0 0 525.645 6.243 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654411 554997648 /nfs/dbraw/zinc/99/76/48/554997648.db2.gz VRLDWSOIKRNOGX-IIHDFJPDSA-N 0 0 576.671 5.757 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102654288 554997726 /nfs/dbraw/zinc/99/77/26/554997726.db2.gz UQZUJGLXYBHBSH-ROBPHKHBSA-N 0 0 540.641 6.343 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654825 554998101 /nfs/dbraw/zinc/99/81/01/554998101.db2.gz AUDFNXBJNCCLCH-ROBPHKHBSA-N 0 0 554.624 5.680 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102655533 554998281 /nfs/dbraw/zinc/99/82/81/554998281.db2.gz PAABTJQOSWTHBD-JRPVAJNPSA-N 0 0 530.577 5.784 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102655442 554998314 /nfs/dbraw/zinc/99/83/14/554998314.db2.gz PZNROVYMGXBGRG-JEPDFCTISA-N 0 0 529.637 5.288 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655721 554998696 /nfs/dbraw/zinc/99/86/96/554998696.db2.gz LOTMYGWIBBGJJT-ROBPHKHBSA-N 0 0 620.724 6.156 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102656068 554999028 /nfs/dbraw/zinc/99/90/28/554999028.db2.gz KPTNLZOWTILMRI-JNYBUSFRSA-N 0 0 612.748 7.522 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000102660035 555000047 /nfs/dbraw/zinc/00/00/47/555000047.db2.gz RZYDRKKFHNMHTA-FZGPYELWSA-N 0 0 512.609 6.265 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102660072 555000067 /nfs/dbraw/zinc/00/00/67/555000067.db2.gz JNLZAFHFFATULK-GRBPGWBESA-N 0 0 578.621 7.177 50 30 KKEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102666901 555001611 /nfs/dbraw/zinc/00/16/11/555001611.db2.gz KRVVKZDYARZACM-UCANSNJSSA-N 0 0 592.891 6.261 50 30 KKEARN CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(-c2ccccc2)c1=O ZINC000102667789 555001943 /nfs/dbraw/zinc/00/19/43/555001943.db2.gz CBTXJSCAQAANJJ-BBBGJPHSSA-N 0 0 615.336 5.509 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667817 555001957 /nfs/dbraw/zinc/00/19/57/555001957.db2.gz LFRPZBAZTLZEQP-IOUQRVAPSA-N 0 0 524.598 5.672 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667815 555002005 /nfs/dbraw/zinc/00/20/05/555002005.db2.gz LFRPZBAZTLZEQP-PLWHFILJSA-N 0 0 524.598 5.672 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102671673 555002637 /nfs/dbraw/zinc/00/26/37/555002637.db2.gz MVHKTIMSHCQZAQ-SBXHHDGASA-N 0 0 514.559 5.011 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102687583 555007092 /nfs/dbraw/zinc/00/70/92/555007092.db2.gz BXCHBLDCHMCNFZ-GRKNLSHJSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000102686815 555007148 /nfs/dbraw/zinc/00/71/48/555007148.db2.gz NULHACVIKMGIIJ-DLFZDVPBSA-N 0 0 500.639 7.295 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCC)cc2)cc1 ZINC000102689048 555007712 /nfs/dbraw/zinc/00/77/12/555007712.db2.gz KAPCAPLPMURCHQ-XRKRLSELSA-N 0 0 533.466 7.435 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102690808 555008297 /nfs/dbraw/zinc/00/82/97/555008297.db2.gz ROWMWAGHLLXMKI-NXLSWJSLSA-N 0 0 500.576 5.557 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102693032 555008866 /nfs/dbraw/zinc/00/88/66/555008866.db2.gz SCZVGXYOQQIGBT-VEZPTTSMSA-N 0 0 535.644 5.845 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694744 555009758 /nfs/dbraw/zinc/00/97/58/555009758.db2.gz GOXAHPOBMJHFLU-ZHHPLPSFSA-N 0 0 500.576 5.502 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102694905 555010064 /nfs/dbraw/zinc/01/00/64/555010064.db2.gz GDLVRPWBXQBPCI-NXLSWJSLSA-N 0 0 500.576 5.557 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102697296 555011941 /nfs/dbraw/zinc/01/19/41/555011941.db2.gz XJFSBFPJDJNQQW-NXLSWJSLSA-N 0 0 500.576 5.502 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102697105 555011962 /nfs/dbraw/zinc/01/19/62/555011962.db2.gz VPEASKNJDVJONF-WGGXKBPPSA-N 0 0 520.585 5.600 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102700069 555012667 /nfs/dbraw/zinc/01/26/67/555012667.db2.gz WXBGRRDNWFQYRK-GAPOMRBKSA-N 0 0 526.658 6.846 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102700371 555012932 /nfs/dbraw/zinc/01/29/32/555012932.db2.gz WOXQNVTWRNNEAT-MIOXIQPJSA-N 0 0 527.617 5.597 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102701465 555013132 /nfs/dbraw/zinc/01/31/32/555013132.db2.gz MSGQBGNFICHFSU-MIOXIQPJSA-N 0 0 529.633 5.821 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102704106 555013624 /nfs/dbraw/zinc/01/36/24/555013624.db2.gz JEIRQJQAGVEFPO-KQAPWQHSSA-N 0 0 514.603 5.865 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102703993 555013675 /nfs/dbraw/zinc/01/36/75/555013675.db2.gz KUVWYRQWAOOGOS-HOGKFDNTSA-N 0 0 519.420 6.248 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102704416 555013890 /nfs/dbraw/zinc/01/38/90/555013890.db2.gz ZEMCOQGAIBXAPQ-ZZIWUOEGSA-N 0 0 529.574 5.765 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102705898 555014614 /nfs/dbraw/zinc/01/46/14/555014614.db2.gz UHRJBBSIJJQEGO-IUKMQXEJSA-N 0 0 514.603 5.811 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706332 555014838 /nfs/dbraw/zinc/01/48/38/555014838.db2.gz CTIOSKPQSDBKAD-MOBKVPTQSA-N 0 0 506.605 5.564 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707176 555015386 /nfs/dbraw/zinc/01/53/86/555015386.db2.gz AQEGPGJVAWDOAI-NXLSWJSLSA-N 0 0 529.574 5.792 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102707322 555015424 /nfs/dbraw/zinc/01/54/24/555015424.db2.gz RNWMYOKCXWWUTI-VEZPTTSMSA-N 0 0 518.613 6.153 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102710783 555016463 /nfs/dbraw/zinc/01/64/63/555016463.db2.gz XMLKDFZCTSELBY-TXTDGAROSA-N 0 0 535.556 5.499 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102715702 555018549 /nfs/dbraw/zinc/01/85/49/555018549.db2.gz GJBCNQCUDZVPOI-GAPOMRBKSA-N 0 0 544.629 5.874 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102719877 555019959 /nfs/dbraw/zinc/01/99/59/555019959.db2.gz MZUYPLLVZPIOAP-RXDXAXPSSA-N 0 0 542.657 6.645 50 30 KKEARN CCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000102726290 555021912 /nfs/dbraw/zinc/02/19/12/555021912.db2.gz KFVDGXGEXQHMRY-NAKRPHOHSA-N 0 0 523.471 7.942 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102727690 555022536 /nfs/dbraw/zinc/02/25/36/555022536.db2.gz JCTBQMDBVHJQSJ-AYWGPLOBSA-N 0 0 533.447 6.556 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102729242 555022956 /nfs/dbraw/zinc/02/29/56/555022956.db2.gz XVNDFDZDMHWDTH-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102729453 555023304 /nfs/dbraw/zinc/02/33/04/555023304.db2.gz NODVEEIKIVPJBY-AYWGPLOBSA-N 0 0 504.995 6.147 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102730108 555023491 /nfs/dbraw/zinc/02/34/91/555023491.db2.gz KIHRZIWFLDCKRB-MIOXIQPJSA-N 0 0 529.633 5.821 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731875 555023707 /nfs/dbraw/zinc/02/37/07/555023707.db2.gz KAVJATZPLSEQKC-AYWGPLOBSA-N 0 0 520.994 5.902 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731879 555023760 /nfs/dbraw/zinc/02/37/60/555023760.db2.gz KAVJATZPLSEQKC-ZHHPLPSFSA-N 0 0 520.994 5.902 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735312 555025303 /nfs/dbraw/zinc/02/53/03/555025303.db2.gz ZTBMMTANUTWTSS-QJGFIUGVSA-N 0 0 521.569 5.804 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735496 555025478 /nfs/dbraw/zinc/02/54/78/555025478.db2.gz CEJVYLZAOQIIFB-YZUJGMDRSA-N 0 0 592.648 6.964 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735488 555025519 /nfs/dbraw/zinc/02/55/19/555025519.db2.gz PQDRAEMNTKPHRV-IZSGBISHSA-N 0 0 609.103 7.478 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735504 555025589 /nfs/dbraw/zinc/02/55/89/555025589.db2.gz SZBRRYZANGIISY-NMBCHZPXSA-N 0 0 602.712 7.442 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735590 555025867 /nfs/dbraw/zinc/02/58/67/555025867.db2.gz CQJMZSADGFEQTO-GRBPGWBESA-N 0 0 595.076 7.692 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102736999 555026349 /nfs/dbraw/zinc/02/63/49/555026349.db2.gz QLUGADQCJFSLRD-KWBQTAPJSA-N 0 0 541.585 5.771 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCC(C(=O)OCC)CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102743167 555033705 /nfs/dbraw/zinc/03/37/05/555033705.db2.gz ZFNDPGVOGFQSMF-MHZLTWQESA-N 0 0 551.709 5.306 50 30 KKEARN CC[C@@H](Oc1ccccc1/C=N/N=C/c1ccccc1O[C@H](CC)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 ZINC000102743436 555033810 /nfs/dbraw/zinc/03/38/10/555033810.db2.gz YGVKJBXYUNYLHS-ABKNIVFYSA-N 0 0 590.724 6.087 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746534 555039118 /nfs/dbraw/zinc/03/91/18/555039118.db2.gz PYSQJCDHJMMKCI-GGXMVOPNSA-N 0 0 559.688 5.255 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770836 555058160 /nfs/dbraw/zinc/05/81/60/555058160.db2.gz NSTLULFUDMMLLY-KWBQTAPJSA-N 0 0 575.484 6.625 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770863 555058509 /nfs/dbraw/zinc/05/85/09/555058509.db2.gz IGBOMNQGXZSGGH-RFAFYKRUSA-N 0 0 559.087 7.197 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102770883 555058515 /nfs/dbraw/zinc/05/85/15/555058515.db2.gz IGFZLPZHMTWSQQ-SASZYUHJSA-N 0 0 552.696 7.160 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102770916 555058529 /nfs/dbraw/zinc/05/85/29/555058529.db2.gz CLIPPIZVUZAKLZ-ROBPHKHBSA-N 0 0 524.642 6.678 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770868 555058573 /nfs/dbraw/zinc/05/85/73/555058573.db2.gz IGBOMNQGXZSGGH-UJWLLDLUSA-N 0 0 559.087 7.197 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770960 555058942 /nfs/dbraw/zinc/05/89/42/555058942.db2.gz FWFREGLYWZXMRU-JVJOXMINSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771012 555058979 /nfs/dbraw/zinc/05/89/79/555058979.db2.gz VJMSMBROSDCHSE-AIKCTZLLSA-N 0 0 517.006 6.208 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771132 555059699 /nfs/dbraw/zinc/05/96/99/555059699.db2.gz PHGPWOXZHLYLPG-HALAOQOWSA-N 0 0 527.558 5.463 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771334 555060254 /nfs/dbraw/zinc/06/02/54/555060254.db2.gz SLNZQTBQQJFPDY-HALAOQOWSA-N 0 0 527.558 5.463 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000102790199 555068793 /nfs/dbraw/zinc/06/87/93/555068793.db2.gz DRMKUZIJEHYCMW-VTIYRKAUSA-N 0 0 591.590 9.218 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102856757 555087934 /nfs/dbraw/zinc/08/79/34/555087934.db2.gz MCJKGDYVWPLUEZ-BUANBSPESA-N 0 0 504.995 6.201 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102856728 555088062 /nfs/dbraw/zinc/08/80/62/555088062.db2.gz ZRLANRKKPIYIMK-NXLSWJSLSA-N 0 0 533.049 6.882 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102857667 555088759 /nfs/dbraw/zinc/08/87/59/555088759.db2.gz GBMLKKOYUAUFTL-CZNAVJSXSA-N 0 0 544.629 6.037 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102861108 555091282 /nfs/dbraw/zinc/09/12/82/555091282.db2.gz XWQGVZRNAYDKNQ-TXTDGAROSA-N 0 0 512.650 6.488 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102862314 555092153 /nfs/dbraw/zinc/09/21/53/555092153.db2.gz CXUTYIVVJTYLKS-SBXHHDGASA-N 0 0 500.576 5.638 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863191 555092788 /nfs/dbraw/zinc/09/27/88/555092788.db2.gz GDUBNPKPKLYTRS-AYWGPLOBSA-N 0 0 504.539 5.387 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863196 555092827 /nfs/dbraw/zinc/09/28/27/555092827.db2.gz GDUBNPKPKLYTRS-ZHHPLPSFSA-N 0 0 504.539 5.387 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102863099 555092965 /nfs/dbraw/zinc/09/29/65/555092965.db2.gz DLPBMFRBDNRLRB-ZHHPLPSFSA-N 0 0 504.539 5.387 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867169 555096703 /nfs/dbraw/zinc/09/67/03/555096703.db2.gz UELHJSVIOGKXAE-OFNYXUPYSA-N 0 0 556.640 6.043 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867462 555096959 /nfs/dbraw/zinc/09/69/59/555096959.db2.gz FTKDMGJGQKYONK-NEMSTITPSA-N 0 0 574.655 5.533 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867454 555097028 /nfs/dbraw/zinc/09/70/28/555097028.db2.gz FTKDMGJGQKYONK-OTQMSCLFSA-N 0 0 574.655 5.533 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867942 555097355 /nfs/dbraw/zinc/09/73/55/555097355.db2.gz BMCBXGUSHIPPNX-CWMDRHISSA-N 0 0 591.085 6.697 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102868054 555097492 /nfs/dbraw/zinc/09/74/92/555097492.db2.gz SWTVADLJTFQIAT-SXFMABAMSA-N 0 0 526.614 5.871 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000102868648 555097869 /nfs/dbraw/zinc/09/78/69/555097869.db2.gz NWJIVEYCBFEERE-WENCHWOGSA-N 0 0 541.644 5.862 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868807 555098145 /nfs/dbraw/zinc/09/81/45/555098145.db2.gz WDAKSWYEFBFCQM-UVDRRRQGSA-N 0 0 533.005 5.964 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102868953 555098284 /nfs/dbraw/zinc/09/82/84/555098284.db2.gz SVQSEUZMTQGZSR-CZNAVJSXSA-N 0 0 538.625 6.168 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102869082 555098494 /nfs/dbraw/zinc/09/84/94/555098494.db2.gz XSNYUNULXNPZAW-IWWXRALLSA-N 0 0 556.703 7.266 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102869204 555098521 /nfs/dbraw/zinc/09/85/21/555098521.db2.gz OMXWJSMXODMSQO-QKJBWNOYSA-N 0 0 528.586 5.319 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869636 555099211 /nfs/dbraw/zinc/09/92/11/555099211.db2.gz WTTCCECBSHTVAU-JOMJOIQHSA-N 0 0 588.657 6.573 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102869892 555099836 /nfs/dbraw/zinc/09/98/36/555099836.db2.gz MJIBKGXUHNYANO-WGGXKBPPSA-N 0 0 624.759 7.439 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102870166 555100079 /nfs/dbraw/zinc/10/00/79/555100079.db2.gz ZVVXJKIBEHNPGA-VEZPTTSMSA-N 0 0 550.611 5.695 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870064 555100196 /nfs/dbraw/zinc/10/01/96/555100196.db2.gz BGPDUHYKNOFSDC-XCSSDTEYSA-N 0 0 590.698 6.003 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000102870186 555100448 /nfs/dbraw/zinc/10/04/48/555100448.db2.gz VQQXHWFNPXKHCX-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102870427 555100762 /nfs/dbraw/zinc/10/07/62/555100762.db2.gz RVYPRPHDPFCKPS-DFXXOVSGSA-N 0 0 552.587 5.191 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102872515 555103218 /nfs/dbraw/zinc/10/32/18/555103218.db2.gz RYNNIQKWYFHBBY-ZHJYXLETSA-N 0 0 511.618 5.853 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873265 555103775 /nfs/dbraw/zinc/10/37/75/555103775.db2.gz JFZLRLPUTZHVFQ-IUKMQXEJSA-N 0 0 512.631 6.619 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873753 555104054 /nfs/dbraw/zinc/10/40/54/555104054.db2.gz KIJXHKHFUJHGOR-ZHHPLPSFSA-N 0 0 502.592 6.212 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102874108 555104380 /nfs/dbraw/zinc/10/43/80/555104380.db2.gz URCKTZCIDIERHJ-NPJIAGGLSA-N 0 0 530.621 6.758 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102874488 555104569 /nfs/dbraw/zinc/10/45/69/555104569.db2.gz DLSDNZZBUZFMIU-ZORLYMSLSA-N 0 0 570.686 5.117 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102874619 555104923 /nfs/dbraw/zinc/10/49/23/555104923.db2.gz PWWOIDQTPBRTJY-WGGXKBPPSA-N 0 0 548.724 5.615 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102875998 555105841 /nfs/dbraw/zinc/10/58/41/555105841.db2.gz QGTCRSJEPREWDC-NPJIAGGLSA-N 0 0 530.621 6.758 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102875706 555105923 /nfs/dbraw/zinc/10/59/23/555105923.db2.gz FVBIMBJEGGGAKO-KQAPWQHSSA-N 0 0 514.603 5.947 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000102877996 555107171 /nfs/dbraw/zinc/10/71/71/555107171.db2.gz KSUDEAQMIUKZID-VTVSLZSGSA-N 0 0 511.618 6.201 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102878163 555107482 /nfs/dbraw/zinc/10/74/82/555107482.db2.gz JTFODAJXNRYYFN-SZYGQJGOSA-N 0 0 642.675 9.369 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccc(Cl)cc2)C1=C(O)C=Cc1ccccc1 ZINC000102879149 555108427 /nfs/dbraw/zinc/10/84/27/555108427.db2.gz UZRZPSNADCAVDI-XTZYZTJQSA-N 0 0 541.772 6.127 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102879333 555108516 /nfs/dbraw/zinc/10/85/16/555108516.db2.gz RIGKEERXZCGIDF-BUANBSPESA-N 0 0 549.446 6.311 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102880091 555108930 /nfs/dbraw/zinc/10/89/30/555108930.db2.gz DGXSRIKPSQTSPI-ZZIWUOEGSA-N 0 0 519.022 6.592 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102880021 555108970 /nfs/dbraw/zinc/10/89/70/555108970.db2.gz PNYUCUFISDPCLT-DFXXOVSGSA-N 0 0 507.590 5.283 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102880208 555109264 /nfs/dbraw/zinc/10/92/64/555109264.db2.gz VDAIJGSCNPEUPZ-VDBNUPDGSA-N 0 0 555.671 6.456 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102881301 555109762 /nfs/dbraw/zinc/10/97/62/555109762.db2.gz CWMBCHQJCCEBNU-COUQNMRISA-N 0 0 535.021 6.210 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881492 555110176 /nfs/dbraw/zinc/11/01/76/555110176.db2.gz PRIXDZSCKPDKAO-DHJMZRGKSA-N 0 0 544.629 5.955 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102882490 555110848 /nfs/dbraw/zinc/11/08/48/555110848.db2.gz JXTFJQRDGFLVNG-COUQNMRISA-N 0 0 515.547 5.456 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102884786 555114423 /nfs/dbraw/zinc/11/44/23/555114423.db2.gz ZGUBPBDPDDYIMP-ZHJYXLETSA-N 0 0 559.663 5.296 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884822 555114576 /nfs/dbraw/zinc/11/45/76/555114576.db2.gz UQDIHFJFKMIMQQ-DNNDWWBDSA-N 0 0 568.695 7.123 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 ZINC000102884888 555114855 /nfs/dbraw/zinc/11/48/55/555114855.db2.gz ONIXVVCQHCPJAA-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102885136 555115121 /nfs/dbraw/zinc/11/51/21/555115121.db2.gz DYTNIDYBARGFRX-LOOKCOSASA-N 0 0 528.605 5.214 50 30 KKEARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000102885774 555116061 /nfs/dbraw/zinc/11/60/61/555116061.db2.gz XAAHMJFNHFNGNH-HVIPQOSHSA-N 0 0 538.692 5.028 50 30 KKEARN COc1ccc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)cc1F ZINC000102885756 555116103 /nfs/dbraw/zinc/11/61/03/555116103.db2.gz GZZDEVRCZLKACA-HKBQPEDESA-N 0 0 542.655 5.022 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102886088 555116385 /nfs/dbraw/zinc/11/63/85/555116385.db2.gz VNNIUYGBATWYTQ-UVDRRRQGSA-N 0 0 516.550 5.450 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102886086 555116407 /nfs/dbraw/zinc/11/64/07/555116407.db2.gz VNNIUYGBATWYTQ-ZZIWUOEGSA-N 0 0 516.550 5.450 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102886187 555116713 /nfs/dbraw/zinc/11/67/13/555116713.db2.gz MXJATKNHAQMWNF-VEZPTTSMSA-N 0 0 518.613 6.153 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886747 555117354 /nfs/dbraw/zinc/11/73/54/555117354.db2.gz KGCFTELPXKBUHC-NXLSVDECSA-N 0 0 614.720 6.832 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102887325 555118812 /nfs/dbraw/zinc/11/88/12/555118812.db2.gz LJWWOEMPRVQPGO-QMMFTLRZSA-N 0 0 590.657 6.581 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887560 555119492 /nfs/dbraw/zinc/11/94/92/555119492.db2.gz BCISEXAPTLXODK-XXAHXYPMSA-N 0 0 628.747 7.078 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887530 555119577 /nfs/dbraw/zinc/11/95/77/555119577.db2.gz IMBQIJCISUWLOK-ZDZPXDOOSA-N 0 0 558.612 5.272 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887749 555120200 /nfs/dbraw/zinc/12/02/00/555120200.db2.gz BOLUSANVDUIYRP-DZTJFIFISA-N 0 0 632.735 6.322 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888178 555120770 /nfs/dbraw/zinc/12/07/70/555120770.db2.gz LUCRLSAIIVDYBP-UZGIXAGNSA-N 0 0 598.721 7.214 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888236 555121103 /nfs/dbraw/zinc/12/11/03/555121103.db2.gz RJMHYKFXRBVHFH-DDLSXHCZSA-N 0 0 598.721 7.214 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102888924 555122928 /nfs/dbraw/zinc/12/29/28/555122928.db2.gz FYJDJTKGBZYCRM-UTDZTPKCSA-N 0 0 614.720 6.888 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889428 555123441 /nfs/dbraw/zinc/12/34/41/555123441.db2.gz LVIPKUBSJPBSMR-ORLJDCRGSA-N 0 0 570.667 6.270 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890729 555126221 /nfs/dbraw/zinc/12/62/21/555126221.db2.gz MOMHOPISKAQHTD-RPUIFAKWSA-N 0 0 562.644 5.367 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890858 555126533 /nfs/dbraw/zinc/12/65/33/555126533.db2.gz DHPUYVJMFVPNBB-HTUFKCTLSA-N 0 0 572.639 5.580 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102892259 555128494 /nfs/dbraw/zinc/12/84/94/555128494.db2.gz GSKKMTYYJKFOOP-VEZPTTSMSA-N 0 0 533.580 5.659 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893200 555130149 /nfs/dbraw/zinc/13/01/49/555130149.db2.gz POTISKLPGDLMIO-YZUJGMDRSA-N 0 0 624.715 6.582 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893846 555131676 /nfs/dbraw/zinc/13/16/76/555131676.db2.gz FUCIBNKLRCFZRC-KQAPWQHSSA-N 0 0 528.586 5.319 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894072 555132022 /nfs/dbraw/zinc/13/20/22/555132022.db2.gz GAOWGJPUHSDPMO-CZNAVJSXSA-N 0 0 574.611 5.110 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894805 555133257 /nfs/dbraw/zinc/13/32/57/555133257.db2.gz FUMLLSFZGQGDBO-BYHJQNISSA-N 0 0 612.748 7.440 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102895115 555133723 /nfs/dbraw/zinc/13/37/23/555133723.db2.gz KABSVXYFMBURGW-AHPONGEQSA-N 0 0 563.606 5.667 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895296 555134154 /nfs/dbraw/zinc/13/41/54/555134154.db2.gz PIZAIKGBJNXDET-FSISNWKMSA-N 0 0 533.005 5.908 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000102895376 555134263 /nfs/dbraw/zinc/13/42/63/555134263.db2.gz PGDTYAMIJJXLGD-ONQGDUAMSA-N 0 0 539.657 6.484 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895643 555134969 /nfs/dbraw/zinc/13/49/69/555134969.db2.gz LMQXEFVJGNISHN-QMDVFYPZSA-N 0 0 584.694 6.824 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895922 555135459 /nfs/dbraw/zinc/13/54/59/555135459.db2.gz YUOJAGQCIDNURX-DDLSXHCZSA-N 0 0 598.721 7.132 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898095 555138193 /nfs/dbraw/zinc/13/81/93/555138193.db2.gz RYSHPFHGJJEEDV-DZTJFIFISA-N 0 0 568.651 6.071 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899239 555138853 /nfs/dbraw/zinc/13/88/53/555138853.db2.gz UPJWISLMVMGYCZ-XTUFCYCQSA-N 0 0 604.725 6.427 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102899668 555139415 /nfs/dbraw/zinc/13/94/15/555139415.db2.gz PPPNHNGLHRVRMV-XVTRYDTASA-N 0 0 510.615 6.117 50 30 KKEARN Cc1ccccc1-n1c(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nnc1-c1cccnc1 ZINC000102924752 555148873 /nfs/dbraw/zinc/14/88/73/555148873.db2.gz OOURYJBRPHUCIE-UHFFFAOYSA-N 0 0 568.662 7.167 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102924980 555149232 /nfs/dbraw/zinc/14/92/32/555149232.db2.gz BHPQNPNCKYRKSR-KQAPWQHSSA-N 0 0 531.077 7.490 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926139 555150371 /nfs/dbraw/zinc/15/03/71/555150371.db2.gz RFGJZHCSHYWYPD-COUQNMRISA-N 0 0 516.550 5.465 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926141 555150709 /nfs/dbraw/zinc/15/07/09/555150709.db2.gz RFGJZHCSHYWYPD-BUANBSPESA-N 0 0 516.550 5.465 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102926503 555150782 /nfs/dbraw/zinc/15/07/82/555150782.db2.gz YGLJFLIIEKVIFS-HOGKFDNTSA-N 0 0 511.043 6.346 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102926405 555150862 /nfs/dbraw/zinc/15/08/62/555150862.db2.gz BUMXOSGYXHBSSE-UUALVTFQSA-N 0 0 516.594 5.064 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102926802 555151378 /nfs/dbraw/zinc/15/13/78/555151378.db2.gz LRTWRWXHGWMXLX-QJGFIUGVSA-N 0 0 527.617 5.819 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102928218 555153511 /nfs/dbraw/zinc/15/35/11/555153511.db2.gz NHUQKLDPJFSITO-GAPOMRBKSA-N 0 0 512.631 6.671 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000102929278 555154999 /nfs/dbraw/zinc/15/49/99/555154999.db2.gz FRPLFMHWVWRSEH-FSDXSRJSSA-N 0 0 564.432 5.151 50 30 KKEARN C=C(C)CNc1sc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(N)c1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000102929587 555155569 /nfs/dbraw/zinc/15/55/69/555155569.db2.gz XLINEIRSFIHXQE-RUZDIDTESA-N 0 0 582.604 6.467 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102930437 555156960 /nfs/dbraw/zinc/15/69/60/555156960.db2.gz CZJCBHFJCKQIBH-WSOTVMCUSA-N 0 0 575.661 6.610 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102930428 555157061 /nfs/dbraw/zinc/15/70/61/555157061.db2.gz CZJCBHFJCKQIBH-UGQRDJPYSA-N 0 0 575.661 6.610 50 30 KKEARN N#Cc1ccc(OCC(=O)Nc2ccc(N(CCc3ccccc3)C(=O)COc3ccc(C#N)cc3)cc2)cc1 ZINC000102930585 555157357 /nfs/dbraw/zinc/15/73/57/555157357.db2.gz RHBQWXMPWVMKPK-UHFFFAOYSA-N 0 0 530.584 5.102 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102931749 555159466 /nfs/dbraw/zinc/15/94/66/555159466.db2.gz LQXIFSIYYYHRMF-NPJIAGGLSA-N 0 0 512.631 6.537 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933161 555160493 /nfs/dbraw/zinc/16/04/93/555160493.db2.gz SMAFXPKKSRBMKY-IUKMQXEJSA-N 0 0 530.602 5.647 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1 ZINC000102933985 555161326 /nfs/dbraw/zinc/16/13/26/555161326.db2.gz BFCYFXCOMONLGX-YUMHPJSZSA-N 0 0 534.512 7.819 50 30 KKEARN COc1cc([C@@H]2c3c(C)nn(-c4cc(C(F)(F)F)ccc4Cl)c3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000102936134 555163694 /nfs/dbraw/zinc/16/36/94/555163694.db2.gz UMHKNOXFGCUHEA-GDLZYMKVSA-N 0 0 594.033 8.005 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C(/N=C2C=CC(=N/C(=N/S(=O)(=O)c3ccc(C)cc3)c3ccccc3)C=C2)c2ccccc2)cc1 ZINC000102936218 555163921 /nfs/dbraw/zinc/16/39/21/555163921.db2.gz YDFMYUFOICJSPB-GFLGNDHISA-N 0 0 620.756 6.283 50 30 KKEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102938494 555166988 /nfs/dbraw/zinc/16/69/88/555166988.db2.gz ISXHOMODAFREKF-MUUNZHRXSA-N 0 0 532.669 7.783 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1Br)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940305 555168845 /nfs/dbraw/zinc/16/88/45/555168845.db2.gz CNAVKMZCMMZNGD-LDLOPFEMSA-N 0 0 615.404 5.259 50 30 KKEARN O=S(=O)(/N=C(\c1ccccc1)C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccccc1 ZINC000102940511 555169178 /nfs/dbraw/zinc/16/91/78/555169178.db2.gz IXFQKOWRQCIQMN-GKPLWNPISA-N 0 0 525.680 6.916 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(NC3=C(C(=O)CCC)C(=O)[C@@H](C(=O)OC)C(C)(C)C3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000102942652 555170838 /nfs/dbraw/zinc/17/08/38/555170838.db2.gz QOJVZOOCNMVEBA-HNRBIFIRSA-N 0 0 608.732 5.333 50 30 KKEARN Cc1ccc(NS(=O)(=O)c2ccc(NN=C3C(=O)Nc4c3cc(Cl)cc4Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000102982045 555188357 /nfs/dbraw/zinc/18/83/57/555188357.db2.gz RHXXJJLVGFVPGC-UHFFFAOYSA-N 0 0 534.381 5.088 50 30 KKEARN CCCCCCCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(C)C ZINC000102990971 555192293 /nfs/dbraw/zinc/19/22/93/555192293.db2.gz UCSWWRROGDJYHD-UHFFFAOYSA-N 0 0 529.621 6.579 50 30 KKEARN CCCCCCCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000102992213 555192991 /nfs/dbraw/zinc/19/29/91/555192991.db2.gz GVOSTXVCIUSAOS-UHFFFAOYSA-N 0 0 524.713 6.114 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2)C[C@@H]1C ZINC000102992587 555193170 /nfs/dbraw/zinc/19/31/70/555193170.db2.gz XCMXETRLJZTQTO-DEOSSOPVSA-N 0 0 594.225 6.526 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1)Cc1ccco1 ZINC000102995770 555195211 /nfs/dbraw/zinc/19/52/11/555195211.db2.gz JQWIPHINUFPGRC-UHFFFAOYSA-N 0 0 561.554 7.788 50 30 KKEARN CCCCCCCCC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1 ZINC000102995900 555195401 /nfs/dbraw/zinc/19/54/01/555195401.db2.gz TZWWRUYCUUWTLP-UHFFFAOYSA-N 0 0 549.822 5.373 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000102996055 555195519 /nfs/dbraw/zinc/19/55/19/555195519.db2.gz NBPBIWLHJKXDLZ-GDLZYMKVSA-N 0 0 513.723 5.646 50 30 KKEARN CCCCCCCCC(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000102996705 555196432 /nfs/dbraw/zinc/19/64/32/555196432.db2.gz LCHXIYUBOMPHHX-UHFFFAOYSA-N 0 0 516.608 7.677 50 30 KKEARN Cc1cc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n2c3ccccc3nc2c1C#N ZINC000102997821 555197115 /nfs/dbraw/zinc/19/71/15/555197115.db2.gz QDGGAHMVDJPAFL-UHFFFAOYSA-N 0 0 541.658 5.224 50 30 KKEARN CCCCCCCCCC(=O)NC1CCC(NC(=O)c2csc(COc3ccccc3F)n2)CC1 ZINC000102998267 555197436 /nfs/dbraw/zinc/19/74/36/555197436.db2.gz ZSCNPSBOBLQNHL-UHFFFAOYSA-N 0 0 503.684 6.159 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC[C@@H]2CCCO2)c1 ZINC000102998378 555197649 /nfs/dbraw/zinc/19/76/49/555197649.db2.gz WMQSGZXGQRNMQZ-MHZLTWQESA-N 0 0 564.771 6.010 50 30 KKEARN C=CCN(C(=O)c1ccc(OC)cc1)c1nc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cs1 ZINC000102998856 555198210 /nfs/dbraw/zinc/19/82/10/555198210.db2.gz IBFVTCKGETWSQP-UHFFFAOYSA-N 0 0 529.643 5.843 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(C)C ZINC000102999459 555198980 /nfs/dbraw/zinc/19/89/80/555198980.db2.gz HFYUFQOSQBRKJE-UHFFFAOYSA-N 0 0 561.811 7.906 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)[C@@H](C)CC ZINC000102999496 555199239 /nfs/dbraw/zinc/19/92/39/555199239.db2.gz WAQARLWKGOTMOF-MHZLTWQESA-N 0 0 586.883 8.193 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)[C@H](C)CC ZINC000102999499 555199242 /nfs/dbraw/zinc/19/92/42/555199242.db2.gz WAQARLWKGOTMOF-HHHXNRCGSA-N 0 0 586.883 8.193 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccc(N2CCc3ccccc3C2)c(C(=O)NCCCOC)c1 ZINC000103000054 555199753 /nfs/dbraw/zinc/19/97/53/555199753.db2.gz GHXKBBRSDCNSRC-UHFFFAOYSA-N 0 0 521.746 6.875 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCCN(Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000103000752 555200729 /nfs/dbraw/zinc/20/07/29/555200729.db2.gz AHHSQZGDZDMTAC-UHFFFAOYSA-N 0 0 542.736 7.093 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C(F)(F)F)cc3)co2)CC1 ZINC000103000763 555200795 /nfs/dbraw/zinc/20/07/95/555200795.db2.gz HIFJLBBNZOAICN-UHFFFAOYSA-N 0 0 578.716 7.583 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103010684 555205952 /nfs/dbraw/zinc/20/59/52/555205952.db2.gz WRMQONJDHZPYRJ-QLBJFCOMSA-N 0 0 561.009 5.226 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)N2CCc3ccccc32)ccc1Cl ZINC000103011439 555206268 /nfs/dbraw/zinc/20/62/68/555206268.db2.gz GWQFEVZLBVSANA-UHFFFAOYSA-N 0 0 520.960 5.943 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011478 555206294 /nfs/dbraw/zinc/20/62/94/555206294.db2.gz AVSMAZUAQICSRL-BUUDZMLXSA-N 0 0 536.694 5.308 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103011665 555206515 /nfs/dbraw/zinc/20/65/15/555206515.db2.gz OGKHAUAODJUHJU-ICDZXHCJSA-N 0 0 611.016 6.106 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103015390 555208887 /nfs/dbraw/zinc/20/88/87/555208887.db2.gz QKLGDXHVABNIOK-FTBPSBKWSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103015386 555208911 /nfs/dbraw/zinc/20/89/11/555208911.db2.gz QKLGDXHVABNIOK-NQHRYMMQSA-N 0 0 578.637 5.554 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@H]2c2ccccc2OC)cc1 ZINC000103016948 555209859 /nfs/dbraw/zinc/20/98/59/555209859.db2.gz CPQUEMBALXCGFL-JGCGQSQUSA-N 0 0 526.677 7.322 50 30 KKEARN C=CCN(C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103019078 555210731 /nfs/dbraw/zinc/21/07/31/555210731.db2.gz SQARVILWQXRGQJ-UHFFFAOYSA-N 0 0 526.014 7.495 50 30 KKEARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1ccc(C#N)cc1 ZINC000103021072 555212287 /nfs/dbraw/zinc/21/22/87/555212287.db2.gz NASKYIDPOKPFSD-UHFFFAOYSA-N 0 0 548.709 5.851 50 30 KKEARN CCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1cccc(C#N)c1 ZINC000103021042 555212351 /nfs/dbraw/zinc/21/23/51/555212351.db2.gz ZBCIOBMPZNWQTN-UHFFFAOYSA-N 0 0 548.709 5.851 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2cccc(C)c2C)ccc1Cl ZINC000103025226 555215434 /nfs/dbraw/zinc/21/54/34/555215434.db2.gz MDMHLNGJGVQDCT-UHFFFAOYSA-N 0 0 580.028 5.725 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C(=O)c1ccccc1OC ZINC000103025530 555215862 /nfs/dbraw/zinc/21/58/62/555215862.db2.gz KKMRWISDUYOGOB-UHFFFAOYSA-N 0 0 575.017 5.041 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=NCC)Nc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000103026466 555216315 /nfs/dbraw/zinc/21/63/15/555216315.db2.gz DIADREFGWHLGHW-HSZRJFAPSA-N 0 0 511.644 5.095 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103030429 555218595 /nfs/dbraw/zinc/21/85/95/555218595.db2.gz IXDKKKNOGTVPDK-XFCANUNOSA-N 0 0 534.704 5.364 50 30 KKEARN CCCCCOP(=O)(OCCCCC)[C@]1(NS(=O)(=O)c2ccc(C)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000103044153 555227230 /nfs/dbraw/zinc/22/72/30/555227230.db2.gz BDOBCUNXVYFQLT-HHHXNRCGSA-N 0 0 568.072 7.052 50 30 KKEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000103055910 555237164 /nfs/dbraw/zinc/23/71/64/555237164.db2.gz ULMGUXNLPYQSNF-UHFFFAOYSA-N 0 0 553.427 5.115 50 30 KKEARN Cc1ccc(C(=O)Nc2ccc(-n3nc(OCc4ccc(F)cc4)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1C(F)(F)F ZINC000103060196 555240990 /nfs/dbraw/zinc/24/09/90/555240990.db2.gz BKNKDVPYOAEACA-UHFFFAOYSA-N 0 0 614.521 8.251 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1[C@H]1COc2ccccc2O1 ZINC000103064290 555244901 /nfs/dbraw/zinc/24/49/01/555244901.db2.gz WTWBJZQVCRTISC-GOSISDBHSA-N 0 0 544.477 5.745 50 30 KKEARN CCCCCCCCCC(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccco1 ZINC000103065611 555246119 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TXKYASBAMGJLGK-QRVIBDJDSA-N 0 0 555.450 5.835 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000103073615 555253180 /nfs/dbraw/zinc/25/31/80/555253180.db2.gz TYRPUBQGIPVPII-UHFFFAOYSA-N 0 0 537.382 6.813 50 30 KKEARN N#Cc1cccc(NC(=O)N2CCN(C[C@@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000103075388 555254983 /nfs/dbraw/zinc/25/49/83/555254983.db2.gz CQZBQYIEECFNTB-AREMUKBSSA-N 0 0 542.989 6.338 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]3c1cc(F)c(F)cc1F ZINC000103076719 555255648 /nfs/dbraw/zinc/25/56/48/555255648.db2.gz PBCUKTURIVNTIS-XMMPIXPASA-N 0 0 522.420 6.540 50 30 KKEARN O=C(c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)N1CCN(c2ccccc2F)CC1 ZINC000103080813 555259439 /nfs/dbraw/zinc/25/94/39/555259439.db2.gz FKFSGNFLPPSIEN-INIZCTEOSA-N 0 0 540.483 5.752 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(/C=C/c2ccccc2)cc1 ZINC000103085904 555264451 /nfs/dbraw/zinc/26/44/51/555264451.db2.gz LYZJXEBPFWBFLY-PBTKMJLMSA-N 0 0 527.715 7.640 50 30 KKEARN CCOC(=O)c1ccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc(C)c(C(=O)OCC)cc3C#N)cc2)cc1 ZINC000103086233 555264879 /nfs/dbraw/zinc/26/48/79/555264879.db2.gz WJOQBVINWPPZNR-JSFNERCOSA-N 0 0 613.736 6.122 50 30 KKEARN Cc1cc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000103098738 555275927 /nfs/dbraw/zinc/27/59/27/555275927.db2.gz CWOHLHNCROLTOU-UHFFFAOYSA-N 0 0 524.598 5.945 50 30 KKEARN CCCCCCCCS(=O)(=O)N(CCCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C ZINC000103099512 555277075 /nfs/dbraw/zinc/27/70/75/555277075.db2.gz DMVYFJDXGNSVAM-UHFFFAOYSA-N 0 0 596.856 5.674 50 30 KKEARN CCCCCCCCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000103103336 555280989 /nfs/dbraw/zinc/28/09/89/555280989.db2.gz LDYRJCZIGKHPEI-QHCPKHFHSA-N 0 0 558.813 8.585 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000103113545 555286909 /nfs/dbraw/zinc/28/69/09/555286909.db2.gz WARFGKGAZUPTLN-RTBURBONSA-N 0 0 604.548 6.762 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000103124594 555292463 /nfs/dbraw/zinc/29/24/63/555292463.db2.gz BRLCQZPMNNJKFR-UHFFFAOYSA-N 0 0 523.049 7.291 50 30 KKEARN CC(=O)Nc1ccc(N2C(=O)C[C@@H](N(C(=O)CSc3nc4c(cc3C#N)C[C@@H](c3ccccc3)CC4)C3CCCCC3)C2=O)cc1 ZINC000103129637 555298226 /nfs/dbraw/zinc/29/82/26/555298226.db2.gz AIJOPWKRHSPWPQ-ZOYWYXQUSA-N 0 0 635.790 5.770 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(SC(F)(F)F)cc1)C[C@](C#N)(c1ccccc1)CC2 ZINC000103134217 555303782 /nfs/dbraw/zinc/30/37/82/555303782.db2.gz PFOYKQIGTKNPBE-RUZDIDTESA-N 0 0 530.593 6.739 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)nnc1C1CCCCC1 ZINC000103134481 555303993 /nfs/dbraw/zinc/30/39/93/555303993.db2.gz JEZMEPHUIAXXFP-UHFFFAOYSA-N 0 0 574.172 6.111 50 30 KKEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)c1 ZINC000103137628 555307837 /nfs/dbraw/zinc/30/78/37/555307837.db2.gz DEYCQYXODYVQTR-UHFFFAOYSA-N 0 0 550.398 5.515 50 30 KKEARN Cc1ccccc1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000103141245 555310664 /nfs/dbraw/zinc/31/06/64/555310664.db2.gz ZREJHJQAWJBWSD-UHFFFAOYSA-N 0 0 526.622 6.051 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)CC1 ZINC000103144104 555312190 /nfs/dbraw/zinc/31/21/90/555312190.db2.gz KERICLGVYVLGBB-FIRIVFDPSA-N 0 0 553.832 7.092 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCOC)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000103148371 555315132 /nfs/dbraw/zinc/31/51/32/555315132.db2.gz XRKDYMOSFIGQLM-UHFFFAOYSA-N 0 0 560.820 7.901 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)[C@@H]3c1cc(F)c(F)cc1F ZINC000103194403 555334615 /nfs/dbraw/zinc/33/46/15/555334615.db2.gz JAUITOAFIUDHNG-XMMPIXPASA-N 0 0 522.420 6.540 50 30 KKEARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(C(F)(F)F)c(F)c1)[C@H]3c1cc(F)c(F)cc1F ZINC000103194400 555334617 /nfs/dbraw/zinc/33/46/17/555334617.db2.gz JAUITOAFIUDHNG-DEOSSOPVSA-N 0 0 522.420 6.540 50 30 KKEARN Cc1ccc(-c2nc3ccc(-c4cccc(C)c4)cn3c2CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000103424851 555405100 /nfs/dbraw/zinc/40/51/00/555405100.db2.gz HEHSACWVPPPREG-UHFFFAOYSA-N 0 0 561.711 5.663 50 30 KKEARN N#CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103532274 555432504 /nfs/dbraw/zinc/43/25/04/555432504.db2.gz SBSWJWUNUHQIFJ-NLCLVCPQSA-N 0 0 620.492 6.877 50 30 KKEARN N#Cc1ccccc1Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000103537519 555436625 /nfs/dbraw/zinc/43/66/25/555436625.db2.gz XYSDYVXKQDKLRT-YDZHTSKRSA-N 0 0 541.430 5.155 50 30 KKEARN O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103549106 555442423 /nfs/dbraw/zinc/44/24/23/555442423.db2.gz BEERVHFOVIPLKZ-SSDOTTSWSA-N 0 0 572.259 5.302 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000103556644 555446598 /nfs/dbraw/zinc/44/65/98/555446598.db2.gz HYBLWDOQGXPVGZ-PAHOUZJPSA-N 0 0 562.851 5.918 50 30 KKEARN O=C(Nc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000103623473 555457043 /nfs/dbraw/zinc/45/70/43/555457043.db2.gz PDKCFYUZWBWJQT-UHFFFAOYSA-N 0 0 606.520 7.052 50 30 KKEARN CCCCCCCCCCCCOc1ccc(/C=C/c2ccc3cccc(OCCCCCC)c3n2)cc1 ZINC000103680679 555462220 /nfs/dbraw/zinc/46/22/20/555462220.db2.gz DUVGZEPKBSFNHK-HIXSDJFHSA-N 0 0 515.782 10.664 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSC3=N/C(=C\c4ccccc4OC)C(=O)N3c3ccccc3)sc2C1 ZINC000103702444 555464158 /nfs/dbraw/zinc/46/41/58/555464158.db2.gz GXSBHYBKIADHKD-XIIPJFCMSA-N 0 0 598.794 7.285 50 30 KKEARN C=CCc1cc(/C=C2/C(=O)N=C3SC(C4CCCCC4)=NN3C2=N)cc(OC)c1OS(=O)(=O)c1ccccc1 ZINC000103704743 555464173 /nfs/dbraw/zinc/46/41/73/555464173.db2.gz DPUBHHLMOWZTKU-GGLRMMABSA-N 0 0 564.689 5.391 50 30 KKEARN Cc1ccc(N2C(=O)C[C@@H](N(Cc3ccccc3)C(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000103702349 555464193 /nfs/dbraw/zinc/46/41/93/555464193.db2.gz WTWXBDMWDBKQJY-HSZRJFAPSA-N 0 0 552.578 5.042 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000103720873 555465136 /nfs/dbraw/zinc/46/51/36/555465136.db2.gz NSLIBEXMJPOLHS-FMFFXOCNSA-N 0 0 540.088 8.554 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049757092 562675517 /nfs/dbraw/zinc/67/55/17/562675517.db2.gz POJQUEKYKJIDCK-FIZYQLFVSA-N 0 0 630.874 8.775 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771483 562678183 /nfs/dbraw/zinc/67/81/83/562678183.db2.gz WADNBSRZHFSUJY-WHONGPPWSA-N 0 0 578.838 8.457 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049803761 562686230 /nfs/dbraw/zinc/68/62/30/562686230.db2.gz OADOSKXSSKDXCA-RJCDTCFGSA-N 0 0 537.789 7.281 50 30 KKEARN C[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C/C(=C/n6ccnc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000095563203 562763898 /nfs/dbraw/zinc/76/38/98/562763898.db2.gz UJWGXVFKSMAIRU-PLEYRKKSSA-N 0 0 582.833 8.098 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000163930627 562849518 /nfs/dbraw/zinc/84/95/18/562849518.db2.gz QKENRHXGDUPTEM-ZNIBRBMXSA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000252620150 562881746 /nfs/dbraw/zinc/88/17/46/562881746.db2.gz LYHBKLCICYZSOG-UHFFFAOYSA-N 0 0 520.553 6.590 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCOCC3)n2)cc1Cl ZINC000252629183 562881748 /nfs/dbraw/zinc/88/17/48/562881748.db2.gz UANOSVAUVVZVOP-UHFFFAOYSA-N 0 0 534.964 5.028 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OC ZINC000103848664 571363939 /nfs/dbraw/zinc/36/39/39/571363939.db2.gz PSWQVIFNIJBETG-XSFVSMFZSA-N 0 0 558.450 5.192 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2/SC(NC(=O)c3ccccc3)=C(C(=O)OCC)C2=O)cc1Br ZINC000103848726 571363955 /nfs/dbraw/zinc/36/39/55/571363955.db2.gz HCTWCDSLXSHFJA-QGOAFFKASA-N 0 0 593.293 5.638 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O ZINC000103848645 571363973 /nfs/dbraw/zinc/36/39/73/571363973.db2.gz JCZAXKVXGGTYLE-MFKUBSTISA-N 0 0 598.504 6.833 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1/S/C(=C2/Sc3ccccc3N2C)C(=O)N1CC ZINC000103879799 571368469 /nfs/dbraw/zinc/36/84/69/571368469.db2.gz AJPFPNADYXSDGT-FPDQAFRFSA-N 0 0 543.887 9.610 50 30 KKEARN CCCCCCCCCCCCCCCCCC/N=C1\S/C(=C2/Sc3ccccc3N2C)C(=O)N1CCCC ZINC000103879772 571368543 /nfs/dbraw/zinc/36/85/43/571368543.db2.gz VNAINFBKCSMRDE-ZBJUBYJTSA-N 0 0 571.941 10.391 50 30 KKEARN COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n32)c2c(OC)cccc12 ZINC000103938501 571370386 /nfs/dbraw/zinc/37/03/86/571370386.db2.gz MSCQKZVODPPGBY-XDOYNYLZSA-N 0 0 563.657 8.071 50 30 KKEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc2oc3ccc(C(=O)/C=C\c4ccc(Br)cc4)cc3c2c1 ZINC000103943786 571370443 /nfs/dbraw/zinc/37/04/43/571370443.db2.gz HBZCBKMKPNNNNB-GFIWHYBVSA-N 0 0 586.279 8.903 50 30 KKEARN C[C@@H](C(=O)Oc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000104073523 571372306 /nfs/dbraw/zinc/37/23/06/571372306.db2.gz AQVRRHOCKJXEHY-XRHLQHRESA-N 0 0 572.617 6.055 50 30 KKEARN CCOP(=O)(OCC)C(C)(C)/N=C1\S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1 ZINC000104192412 571376363 /nfs/dbraw/zinc/37/63/63/571376363.db2.gz KVAJGNFFWBMQHY-RMTSEHLMSA-N 0 0 529.521 6.723 50 30 KKEARN C[C@@H](NC(=O)c1ccc(/N=C2/c3ccccc3N(CN3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1 ZINC000104430770 571381019 /nfs/dbraw/zinc/38/10/19/571381019.db2.gz NSXAIBDSVMYMTA-WCOSCEHPSA-N 0 0 557.698 5.420 50 30 KKEARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)nnc2-c2ccc(Br)cc2)c1 ZINC000104562958 571381514 /nfs/dbraw/zinc/38/15/14/571381514.db2.gz BAKJWPCMKOPJEB-UHFFFAOYSA-N 0 0 563.437 5.824 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000104755034 571385781 /nfs/dbraw/zinc/38/57/81/571385781.db2.gz DZTLLLXFKVJZDB-BTZRARBUSA-N 0 0 558.458 5.716 50 30 KKEARN COC(=O)[C@H](c1ccc(F)cc1Cl)[C@H]1C=C[C@H](NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1 ZINC000105087055 571391198 /nfs/dbraw/zinc/39/11/98/571391198.db2.gz YXVZDQQXGHDFQF-KLRAXDNASA-N 0 0 523.832 6.148 50 30 KKEARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)cc1OC ZINC000105548452 571407549 /nfs/dbraw/zinc/40/75/49/571407549.db2.gz DSMJCBGWQRCKMW-DYESRHJHSA-N 0 0 531.560 5.625 50 30 KKEARN CCCCCCCC[S@](=O)C[C@H](O)CSc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N ZINC000105653156 571408122 /nfs/dbraw/zinc/40/81/22/571408122.db2.gz LYNGCUPOWDVCPG-GMWXTNTRSA-N 0 0 512.766 6.911 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(OC)cc1 ZINC000105959078 571409467 /nfs/dbraw/zinc/40/94/67/571409467.db2.gz SUQRVSVIUSZVGG-AHHHDHMGSA-N 0 0 568.449 6.569 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000105979378 571409720 /nfs/dbraw/zinc/40/97/20/571409720.db2.gz CERPPGKRKCGRLT-QQXSKIMKSA-N 0 0 554.495 7.936 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@H]1c1ccc(SC)cc1 ZINC000106343687 571412050 /nfs/dbraw/zinc/41/20/50/571412050.db2.gz AAGBCOMBXJXFMS-GIVPXCGWSA-N 0 0 530.524 5.116 50 30 KKEARN C=CCO[C@H]1[C@@H](Sc2ccccc2)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OCC=C)[C@H]1OCC=C ZINC000108009287 571421948 /nfs/dbraw/zinc/42/19/48/571421948.db2.gz TXRQHCCREUGESF-ZZKMFNJSSA-N 0 0 634.838 8.226 50 30 KKEARN CC(C)(C)c1cc(Cl)c(O)c(/C=N/[C@H]2CCCC[C@H]2/N=C\c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000108434781 571423652 /nfs/dbraw/zinc/42/36/52/571423652.db2.gz DBYQQOUSHXHMFK-FPIGSHBCSA-N 0 0 503.514 7.849 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc(N)c(C#N)c(-c5ccsc5)c4c3N)c2)cc1 ZINC000113480083 571438902 /nfs/dbraw/zinc/43/89/02/571438902.db2.gz QIKVFINMHWYUJF-DHZHZOJOSA-N 0 0 563.708 7.333 50 30 KKEARN N#Cc1c(N)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)C=Cc4ccc(Cl)cc4)cc3)C2=O)c(C#N)c1C1CC1 ZINC000113560596 571440101 /nfs/dbraw/zinc/44/01/01/571440101.db2.gz KBQPDCQUWBCLCU-YCDBXGQUSA-N 0 0 554.031 5.258 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C1=O)C[C@H](c1ccccc1)CC2 ZINC000113561570 571440237 /nfs/dbraw/zinc/44/02/37/571440237.db2.gz FKQNAYNHSDBEKJ-PIKZIKFNSA-N 0 0 578.719 6.960 50 30 KKEARN Cc1cccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000113561800 571440273 /nfs/dbraw/zinc/44/02/73/571440273.db2.gz GOLIANMPPXWENX-FOCLMDBBSA-N 0 0 606.172 9.384 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113564325 571440668 /nfs/dbraw/zinc/44/06/68/571440668.db2.gz UYYKUNPUAVKZBL-FWFQWLPWSA-N 0 0 585.751 5.059 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc1 ZINC000113564594 571440847 /nfs/dbraw/zinc/44/08/47/571440847.db2.gz DXDQBXQXLANWDN-AWXSUDRSSA-N 0 0 601.753 8.373 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccc(F)cc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000223210428 571445650 /nfs/dbraw/zinc/44/56/50/571445650.db2.gz MJERRVPHGMHFQI-TYNNKJBBSA-N 0 0 540.620 5.448 50 30 KKEARN CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=C1/CC/C(=C\C=C2/Oc3ccc(-c4ccccc4)cc3N2CC)C1=O ZINC000135924289 571449042 /nfs/dbraw/zinc/44/90/42/571449042.db2.gz MZMYLDPFIJFLFF-SYGXNQFUSA-N 0 0 578.712 9.057 50 30 KKEARN CC(C)N=C1N(C(C)C)C(=O)[C@]1(C(=O)C(C)(C)C)[C@]1(C(C)(C)C)OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 ZINC000136950725 571449759 /nfs/dbraw/zinc/44/97/59/571449759.db2.gz YBWZIPXMMDIXFE-OXCSKOBBSA-N 0 0 546.749 5.877 50 30 KKEARN Cc1c(/C=C2\C[C@]3(C)[C@H]4CC[C@H]5[C@@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)cnn1C ZINC000137170994 571450152 /nfs/dbraw/zinc/45/01/52/571450152.db2.gz ZZKYIWDKKVRQON-WRBHMRDYSA-N 0 0 546.840 8.181 50 30 KKEARN CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000138199036 571451200 /nfs/dbraw/zinc/45/12/00/571451200.db2.gz KQIKXUIHPLMSRE-OAQYLSRUSA-N 0 0 591.358 7.608 50 30 KKEARN CC1=C(C(=O)Nc2nc3cc(Br)ccc3s2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000138218080 571451229 /nfs/dbraw/zinc/45/12/29/571451229.db2.gz KVTYLGHNXIRRGV-QFIPXVFZSA-N 0 0 540.458 6.441 50 30 KKEARN COC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000146684925 571456801 /nfs/dbraw/zinc/45/68/01/571456801.db2.gz SVLFBTCDOHHSCR-UHFFFAOYSA-N 0 0 506.364 7.793 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccc(/C=N/c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)cc2)cc1)N1CCc2ccccc21 ZINC000150341760 571458308 /nfs/dbraw/zinc/45/83/08/571458308.db2.gz QXKKBFUVZARDGU-USKKBRKXSA-N 0 0 646.794 6.691 50 30 KKEARN Clc1cccc(Cl)c1/C=N/c1ccc(C2(c3ccc(/N=C/c4c(Cl)cccc4Cl)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000150343779 571459143 /nfs/dbraw/zinc/45/91/43/571459143.db2.gz VOUXEUHMXBLNCJ-ATDUFPSUSA-N 0 0 662.447 12.165 50 30 KKEARN CCOC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344535 571459395 /nfs/dbraw/zinc/45/93/95/571459395.db2.gz XYGOQNSELKBBSL-UBKIQSJTSA-N 0 0 690.143 7.260 50 30 KKEARN Clc1ccc(COc2c(Br)cc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2Br)c(Cl)c1 ZINC000150344768 571459453 /nfs/dbraw/zinc/45/94/53/571459453.db2.gz OSGVHWPNRWAUKO-AMVVHIIESA-N 0 0 702.235 5.402 50 30 KKEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNCc1ccco1)C(=O)C(=O)C3C(C)C)C(=CNCc1ccco1)C(=O)C(=O)C2C(C)C ZINC000150346602 571460560 /nfs/dbraw/zinc/46/05/60/571460560.db2.gz CCZGPBKTHZJBCW-HJTNQMAYSA-N 0 0 676.766 7.845 50 30 biogenic KKEARN O=C(Oc1ccc(CN2C(C(=O)c3ccccc3)=C(OC(=O)c3ccccc3)c3ccccc3S2(=O)=O)c2cccnc12)c1ccccc1 ZINC000150347906 571460959 /nfs/dbraw/zinc/46/09/59/571460959.db2.gz LMDNRVOLXZGWPZ-UHFFFAOYSA-N 0 0 666.711 7.067 50 30 KKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5ccc(OC)cc5)cc4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000150348478 571461201 /nfs/dbraw/zinc/46/12/01/571461201.db2.gz ASULOODLKWSGOT-ZFKGKTMKSA-N 0 0 629.625 7.552 50 30 KKEARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccccc1)=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000150348866 571461258 /nfs/dbraw/zinc/46/12/58/571461258.db2.gz SLOLCMHNLVSMTR-CWAJCWQHSA-N 0 0 646.747 7.903 50 30 KKEARN O=C(/C=C/c1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(C(=O)Nc5cccc(/C=C/C(=O)c6ccccc6)c5)cc4C3=O)cc2)c1)c1ccccc1 ZINC000150349046 571461329 /nfs/dbraw/zinc/46/13/29/571461329.db2.gz SJOOTSDVAVWWKD-RPCRKUJJSA-N 0 0 721.769 8.784 50 30 KKEARN CC(C)(c1ccc(Oc2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc(Oc2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000150349553 571461545 /nfs/dbraw/zinc/46/15/45/571461545.db2.gz JEOZCZFLAJEZEI-IZYJKTHLSA-N 0 0 676.729 10.915 50 30 KKEARN O=C1c2cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-] ZINC000150350256 571461693 /nfs/dbraw/zinc/46/16/93/571461693.db2.gz FXZNXEUVBQFLDK-UHFFFAOYSA-N 0 0 894.418 7.061 50 30 KKEARN COc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccc(C)c(Cl)c2)nc(N2CCOCC2)n1 ZINC000150355180 571463074 /nfs/dbraw/zinc/46/30/74/571463074.db2.gz USHJYGIJIXDOBQ-RPPGKUMJSA-N 0 0 705.726 5.077 50 30 KKEARN CCOC(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)nc1C ZINC000150359742 571463584 /nfs/dbraw/zinc/46/35/84/571463584.db2.gz FFIKCUWSLNYKNZ-UHFFFAOYSA-N 0 0 614.302 6.279 50 30 KKEARN COc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccc(Sc5nnc(C)s5)c([N+](=O)[O-])c4)cc3s2)c([N+](=O)[O-])c1 ZINC000150361452 571463810 /nfs/dbraw/zinc/46/38/10/571463810.db2.gz GRBPPVYGCOIWHK-KKMKTNMSSA-N 0 0 653.749 6.914 50 30 KKEARN CCOC(=O)C=C(NCCNC(=CC(=O)OCC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150364727 571464450 /nfs/dbraw/zinc/46/44/50/571464450.db2.gz VDQQEHOGTHMEQA-JFMUQQRKSA-N 0 0 680.486 7.449 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(Cl)c(Cl)c2)cc1OC ZINC000150378617 571466840 /nfs/dbraw/zinc/46/68/40/571466840.db2.gz JMTBIBWFIHIWMZ-HLNZKSBVSA-N 0 0 658.938 7.382 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000150385561 571468852 /nfs/dbraw/zinc/46/88/52/571468852.db2.gz OWQSYSUQJIASIT-KSNOWIBYSA-N 0 0 628.644 6.433 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)nc(C)c2C(=O)Nc2ccccc2C)cc1OC ZINC000150387131 571469867 /nfs/dbraw/zinc/46/98/67/571469867.db2.gz XDKFEZKYXVQGPJ-UHFFFAOYSA-N 0 0 647.153 6.908 50 30 KKEARN CCCOc1c(I)cc(I)cc1-c1c(C#N)c2nc3ccccc3n2c(N)c1C#N ZINC000150388029 571470562 /nfs/dbraw/zinc/47/05/62/571470562.db2.gz DSZGEHONMRQVJS-UHFFFAOYSA-N 0 0 619.204 5.478 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1Cl ZINC000150392368 571474557 /nfs/dbraw/zinc/47/45/57/571474557.db2.gz JFSQNBWWBQCNKS-SSEXGKCCSA-N 0 0 651.001 7.636 50 30 KKEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4sc5c(c4c(=O)n3Cc3ccccc3)CC[C@H](C(C)(C)CC)C5)sc2C1 ZINC000150393632 571475154 /nfs/dbraw/zinc/47/51/54/571475154.db2.gz LCXAYCUFQZTQDL-DQEYMECFSA-N 0 0 687.013 9.252 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000150400500 571478053 /nfs/dbraw/zinc/47/80/53/571478053.db2.gz NYGXGFMABGNCBA-SLQAJWMNSA-N 0 0 646.600 6.141 50 30 KKEARN COc1c(I)cc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1I ZINC000150411334 571483749 /nfs/dbraw/zinc/48/37/49/571483749.db2.gz ZUCNWUZFVAHXGX-JOCHJYFZSA-N 0 0 647.254 6.535 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(Nc2ccc(/N=C/c3cc(Br)ccc3O)cc2)c1Nc1ccccc1 ZINC000150411346 571483837 /nfs/dbraw/zinc/48/38/37/571483837.db2.gz LJXAEUQIIBMQLP-NOPDUFPGSA-N 0 0 735.432 8.865 50 30 KKEARN O=c1nc(-c2ccc(Br)cc2)n(Cc2ccccc2)c(=S)n1/C(=N/Cc1ccccc1)c1ccc(Br)cc1 ZINC000150411955 571484158 /nfs/dbraw/zinc/48/41/58/571484158.db2.gz YVLXLWPEHMOGEM-MUGXBBEHSA-N 0 0 646.408 7.510 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)c1 ZINC000150414001 571484998 /nfs/dbraw/zinc/48/49/98/571484998.db2.gz FVUHMUDQXARVIM-UHFFFAOYSA-N 0 0 644.602 6.842 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150422039 571488061 /nfs/dbraw/zinc/48/80/61/571488061.db2.gz HVBRAWZPYSQANZ-POTDNYQPSA-N 0 0 621.409 5.846 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000150425153 571489593 /nfs/dbraw/zinc/48/95/93/571489593.db2.gz FWZRDDQXKMGYIS-BFXRBFBZSA-N 0 0 645.752 7.267 50 30 KKEARN CC1=C(NC(=O)CSc2ccc(NC(=O)C(=Cc3ccc(-c4ccccc4)o3)NC(=O)c3ccccc3)cc2)C(=O)[C@H](c2ccccc2)N1C ZINC000150425961 571490187 /nfs/dbraw/zinc/49/01/87/571490187.db2.gz JJYQUKLPKCVAGJ-QPHUDQFNSA-N 0 0 682.802 7.052 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000150428966 571492413 /nfs/dbraw/zinc/49/24/13/571492413.db2.gz ZIVWDSCZZSQJDN-WGJPBTIMSA-N 0 0 651.144 5.396 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000150430535 571493150 /nfs/dbraw/zinc/49/31/50/571493150.db2.gz ZCQMIADSGSJTRV-NVIJWRNBSA-N 0 0 636.340 6.544 50 30 KKEARN CNC1=C(c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2[C@H](O[C@H]2c3ccccc3C(=O)C(c3ccc(Cl)c(Cl)c3)=C(NC)N2C)N1C ZINC000150431102 571493548 /nfs/dbraw/zinc/49/35/48/571493548.db2.gz YURDEIHQQKBOOP-SEZDUVGGSA-N 0 0 708.473 9.814 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000150434107 571494654 /nfs/dbraw/zinc/49/46/54/571494654.db2.gz AYHWCMABLKAYGU-WGJPBTIMSA-N 0 0 633.751 5.456 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435649 571495689 /nfs/dbraw/zinc/49/56/89/571495689.db2.gz IZMFDJIOYIIQEF-VDKPZLLLSA-N 0 0 653.156 7.877 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435702 571495829 /nfs/dbraw/zinc/49/58/29/571495829.db2.gz CVRCQYXBOWAUFY-PCXKHGAYSA-N 0 0 662.764 7.622 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000150436458 571496160 /nfs/dbraw/zinc/49/61/60/571496160.db2.gz VRNOJHGSFGRXQW-KLFBTDGFSA-N 0 0 645.752 7.267 50 30 KKEARN CN=C(Nc1c(C(c2c(C)nn(-c3ccccc3)c2NC(=NC)c2ccccc2)c2ccc(Cl)cc2)c(C)nn1-c1ccccc1)c1ccccc1 ZINC000150440221 571497886 /nfs/dbraw/zinc/49/78/86/571497886.db2.gz XZMDKCOSLVIMAE-UHFFFAOYSA-N 0 0 703.294 9.104 50 30 KKEARN COc1ccc(S(=O)(=O)OC[C@]2(C)[C@@H](OS(=O)(=O)c3ccc(OC)cc3)CC[C@@]3(C)[C@H]2CC[C@@H](C)[C@@]32CC[C@@]3(CCOC3)O2)cc1 ZINC000150450261 571502363 /nfs/dbraw/zinc/50/23/63/571502363.db2.gz KLLASXMLVKAYIW-CHEANQQOSA-N 0 0 678.866 5.744 50 30 biogenic KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453798 571503761 /nfs/dbraw/zinc/50/37/61/571503761.db2.gz OFSFZJIZXPIFLN-RBHLQMETSA-N 0 0 648.737 7.232 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461219 571506348 /nfs/dbraw/zinc/50/63/48/571506348.db2.gz DDNMCDZVBBTUFJ-NBXYUPGTSA-N 0 0 633.795 8.057 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(Br)c1OCc1ccc(I)cc1 ZINC000150465998 571507926 /nfs/dbraw/zinc/50/79/26/571507926.db2.gz UIWOGPYHOQQBRD-VFLNYLIXSA-N 0 0 635.300 6.199 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469614 571508846 /nfs/dbraw/zinc/50/88/46/571508846.db2.gz ZOWUBCWHELYFQW-LLAWDOGUSA-N 0 0 652.625 8.210 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(I)cc1 ZINC000150476817 571511044 /nfs/dbraw/zinc/51/10/44/571511044.db2.gz NORYLGBXJDLGSS-GDLZYMKVSA-N 0 0 649.529 6.517 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150479719 571511752 /nfs/dbraw/zinc/51/17/52/571511752.db2.gz IPCQOUJRKRXLAC-PLTNMMHCSA-N 0 0 640.571 6.721 50 30 KKEARN Cc1c(C(=O)C(F)(F)F)c(-c2nn(-c3ccccc3)c(NC(=O)C(F)(F)F)c2C(=O)C(F)(F)F)c(C)n1-c1ccccc1F ZINC000150479914 571511872 /nfs/dbraw/zinc/51/18/72/571511872.db2.gz NDPJPPAEKXCINE-UHFFFAOYSA-N 0 0 634.430 7.077 50 30 KKEARN CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481852 571512794 /nfs/dbraw/zinc/51/27/94/571512794.db2.gz RDXQCQHTUDZAKI-ONQGDUAMSA-N 0 0 633.723 6.546 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150483201 571513982 /nfs/dbraw/zinc/51/39/82/571513982.db2.gz AZVRWLNYYROJON-DHYKOVJISA-N 0 0 678.576 6.467 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)cc(OC)c1OC ZINC000150484335 571514741 /nfs/dbraw/zinc/51/47/41/571514741.db2.gz FYCJCUJGGJFKAX-OFYULWLWSA-N 0 0 661.805 8.390 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000150484901 571515463 /nfs/dbraw/zinc/51/54/63/571515463.db2.gz CXRUTQBJNYNXSF-CRGRJFMMSA-N 0 0 669.750 9.392 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)c1 ZINC000150489801 571516873 /nfs/dbraw/zinc/51/68/73/571516873.db2.gz WBWHPBGYVCALFS-FQEVSTJZSA-N 0 0 645.199 6.268 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(COc4ccccc4-c4ccccc4)n3-c3ccccc3OC)sc2C1 ZINC000150490106 571517086 /nfs/dbraw/zinc/51/70/86/571517086.db2.gz RXFRZAMYEGXVFI-AREMUKBSSA-N 0 0 677.896 8.727 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509436 571519613 /nfs/dbraw/zinc/51/96/13/571519613.db2.gz OVYADSCBGFDTPC-AFJIDDCJSA-N 0 0 644.559 5.900 50 30 KKEARN CCCCCCCCCCCC[C@H](Oc1ccc(O)cc1C(C)(C)C)C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 ZINC000150541312 571520641 /nfs/dbraw/zinc/52/06/41/571520641.db2.gz YHJJWJVVAALDFC-UMSFTDKQSA-N 0 0 778.649 12.163 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000150574605 571521490 /nfs/dbraw/zinc/52/14/90/571521490.db2.gz UVFMDASLWCGWNE-SWBDNCPRSA-N 0 0 660.752 5.141 50 30 KKEARN C=CCN1C(=O)C(=Cc2ccc(OC)c(COc3c(Br)cc(Br)cc3Br)c2)NC1=S ZINC000150589227 571522034 /nfs/dbraw/zinc/52/20/34/571522034.db2.gz TXTFRAKIGBTWME-IUXPMGMMSA-N 0 0 617.157 6.217 50 30 KKEARN CC(=O)N[C@H]1[C@@H](OCc2ccccc2)[C@H](OS(C)(=O)=O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1OCc1ccccc1 ZINC000150606209 571522696 /nfs/dbraw/zinc/52/26/96/571522696.db2.gz HHHWOJPZAAIUTQ-RBERFYKESA-N 0 0 721.872 6.372 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000150609291 571522898 /nfs/dbraw/zinc/52/28/98/571522898.db2.gz ACWICHUONGFHBT-ADUBFANXSA-N 0 0 646.769 5.533 50 30 KKEARN CCCCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1=O ZINC000150636727 571524298 /nfs/dbraw/zinc/52/42/98/571524298.db2.gz GPSDMFFPRIIGBF-YBVRYEMDSA-N 0 0 752.817 5.968 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150641476 571524658 /nfs/dbraw/zinc/52/46/58/571524658.db2.gz OHTDDMXWVUOEIO-UFKHLRDRSA-N 0 0 677.739 5.133 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150645108 571524973 /nfs/dbraw/zinc/52/49/73/571524973.db2.gz JVFYCQMVHMBBCS-DTDQMKFYSA-N 0 0 697.611 5.597 50 30 KKEARN CC(C)(C)C(=O)Nc1cc(C(=O)Nc2cccc(/C=C/C(=O)c3ccccc3)c2)cc(C(=O)Nc2cccc(/C=C\C(=O)c3ccccc3)c2)c1 ZINC000150653526 571526095 /nfs/dbraw/zinc/52/60/95/571526095.db2.gz WUSQDIVSEAVOHE-KEEJTVGESA-N 0 0 675.785 8.968 50 30 KKEARN O=C1c2c(c3c(c4c2C2c5ccccc5C4c4ccccc42)C2c4ccccc4C3c3ccccc32)C(=O)C2=C1C1c3ccccc3C2c2ccccc21 ZINC000150654461 571526443 /nfs/dbraw/zinc/52/64/43/571526443.db2.gz XFSZQOOMNBOEKK-UHFFFAOYSA-N 0 0 686.810 10.628 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000150656902 571527041 /nfs/dbraw/zinc/52/70/41/571527041.db2.gz XCHLKHZCISXQPT-YUMJNUQTSA-N 0 0 660.796 6.005 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000150662678 571527839 /nfs/dbraw/zinc/52/78/39/571527839.db2.gz YKPLFDHMTBDKTJ-BIYCFNCWSA-N 0 0 669.096 6.895 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@](COCc1ccc(OC)cc1)(OCc1ccccc1)[C@H]1CC=C2CC[C@@H]([C@@H](OCOC)C(=O)[C@@H]1C)C2(C)C ZINC000150663700 571528324 /nfs/dbraw/zinc/52/83/24/571528324.db2.gz DIJQJENGKFFXTF-PIPDVCAYSA-N 0 0 712.924 8.524 50 30 KKEARN Cc1ccc(Nc2c(Nc3ccc(NC=C4C=Cc5ccccc5C4=O)cc3)cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000162181954 571532289 /nfs/dbraw/zinc/53/22/89/571532289.db2.gz PKCFLRHPPXMPQR-DYTRJAOYSA-N 0 0 720.623 9.160 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C(F)(F)[C@@]1(F)C(F)(F)F ZINC000168519509 571552930 /nfs/dbraw/zinc/55/29/30/571552930.db2.gz XXIWRQOSNDBYRY-NXWJNSQMSA-N 0 0 500.070 6.353 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000169616360 571553576 /nfs/dbraw/zinc/55/35/76/571553576.db2.gz ICQJPDHSYAWLAF-ISJGIBHGSA-N 0 0 561.810 6.229 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccccc3C=C[C@H]21 ZINC000169616354 571553612 /nfs/dbraw/zinc/55/36/12/571553612.db2.gz MMXGNNJKWGPYJK-BITVEADBSA-N 0 0 585.489 6.478 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000169619720 571554165 /nfs/dbraw/zinc/55/41/65/571554165.db2.gz NUWXYZYFUCDFPK-PJIBRIFLSA-N 0 0 552.067 6.367 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000169620005 571554256 /nfs/dbraw/zinc/55/42/56/571554256.db2.gz RBVUIWVCLSYSBF-NDJRJYBZSA-N 0 0 544.642 7.589 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3N2)cc1 ZINC000169619813 571554275 /nfs/dbraw/zinc/55/42/75/571554275.db2.gz UTWQIDTZDATZCR-XFPJRNFQSA-N 0 0 515.561 5.862 50 30 KKEARN Cc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@@](O)(c3ccccc3)C[C@@H](c3ccc(C)cc3)C2(C#N)C#N)cc1 ZINC000169653181 571554528 /nfs/dbraw/zinc/55/45/28/571554528.db2.gz WCIXCLURGHTUOE-XREYCITQSA-N 0 0 510.637 6.995 50 30 KKEARN O=C([C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000169795606 571560722 /nfs/dbraw/zinc/56/07/22/571560722.db2.gz NNBQJBPSZUKMBM-WSOKHJQSSA-N 0 0 598.074 6.626 50 30 KKEARN C=C[C@H]1O[C@@H](c2ccc(OC)cc2)OC[C@@]1(OCOCC[Si](C)(C)C)[C@H]1CC=C2CC[C@@H]([C@@H](OCOC)C(=O)C1)C2(C)C ZINC000169834621 571561440 /nfs/dbraw/zinc/56/14/40/571561440.db2.gz WMLHSPMGSAOJIP-HRQPIIMCSA-N 0 0 616.868 6.694 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N(C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O ZINC000196315231 571564089 /nfs/dbraw/zinc/56/40/89/571564089.db2.gz NWANTZKSWGCQEQ-UHFFFAOYSA-N 0 0 541.776 9.370 50 30 KKEARN CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)[C@](F)(C(F)(F)F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000198696437 571568305 /nfs/dbraw/zinc/56/83/05/571568305.db2.gz UDXYMENRNNYMSG-QHCPKHFHSA-N 0 0 749.492 9.117 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)cc1 ZINC000215706621 571584997 /nfs/dbraw/zinc/58/49/97/571584997.db2.gz 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CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccccc1 ZINC000245247805 572221068 /nfs/dbraw/zinc/22/10/68/572221068.db2.gz XSZSFZKPYAXJIB-KWWFCQITSA-N 0 0 557.444 5.781 50 30 KKEARN N#CC1(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000247709602 572243441 /nfs/dbraw/zinc/24/34/41/572243441.db2.gz ICYQHRXWZFNGLD-ZKRBBLADSA-N 0 0 585.489 6.604 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC[C@H]2[C@H]3C=C[C@H]4[C@H]3[C@@H]3[C@@H]2C=C[C@H]3[C@@H]4CCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000248019339 572252283 /nfs/dbraw/zinc/25/22/83/572252283.db2.gz LVQGKIBIYWIVRS-BRBVZSAQSA-N 0 0 554.730 5.291 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000248137264 572255152 /nfs/dbraw/zinc/25/51/52/572255152.db2.gz NOBDXYGCCIQULC-ZPULPCPSSA-N 0 0 582.656 6.242 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000248287655 572257743 /nfs/dbraw/zinc/25/77/43/572257743.db2.gz GNUAFQNRAAFJAY-CZOATELVSA-N 0 0 790.763 9.903 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000248287657 572257810 /nfs/dbraw/zinc/25/78/10/572257810.db2.gz GNUAFQNRAAFJAY-SMMQONQISA-N 0 0 790.763 9.903 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@H]3OC4(CCCCC4)O[C@H]32)cc1 ZINC000248274576 572257814 /nfs/dbraw/zinc/25/78/14/572257814.db2.gz RLUWEDUUYKGLSD-GEMOAIMLSA-N 0 0 543.701 6.219 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2Cl)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000248322048 572258061 /nfs/dbraw/zinc/25/80/61/572258061.db2.gz VQDUNEOOWQBSRV-PUXRKXTJSA-N 0 0 667.416 9.031 50 30 KKEARN O=C1/C(=C/c2cccc(Br)c2)C[C@@H](c2ccccc2)C/C1=C/c1cccc(Br)c1 ZINC000250798412 572259214 /nfs/dbraw/zinc/25/92/14/572259214.db2.gz CMRRQHMHZXATJV-AHLQDQMVSA-N 0 0 508.253 7.825 50 30 KKEARN Cc1ccc(NC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@]3(C)C2)cc1 ZINC000252346853 572260154 /nfs/dbraw/zinc/26/01/54/572260154.db2.gz IOQDUGCPGORFQZ-CASPSZNOSA-N 0 0 573.862 8.665 50 30 KKEARN Cc1ccc(NC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC(=O)[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]54C)[C@@]3(C)C2)cc1 ZINC000252346854 572260155 /nfs/dbraw/zinc/26/01/55/572260155.db2.gz IOQDUGCPGORFQZ-HSONJZFESA-N 0 0 573.862 8.665 50 30 KKEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)N6CCCCCC6)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000252428099 572260495 /nfs/dbraw/zinc/26/04/95/572260495.db2.gz PWBAWFYUOJVDSJ-DBWOJSMISA-N 0 0 593.893 8.301 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Br)cc3)N3C=CC(C(=O)c4ccccc4)=C[C@@H]23)C1O ZINC000252441275 572260910 /nfs/dbraw/zinc/26/09/10/572260910.db2.gz MTTQTMDNVSINLG-YIPNQBBMSA-N 0 0 612.436 5.044 50 30 KKEARN C(=Nc1ccc(C2(c3ccc(N=Cc4c5ccccc5cc5ccccc54)cc3)c3ccccc3-c3ccccc32)cc1)c1c2ccccc2cc2ccccc21 ZINC000252459925 572261227 /nfs/dbraw/zinc/26/12/27/572261227.db2.gz AGHWAJIDOSECEZ-UHFFFAOYSA-N 0 0 724.907 14.164 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1cccc(Br)c1 ZINC000252461892 572261281 /nfs/dbraw/zinc/26/12/81/572261281.db2.gz NXGZORGWCPLXEO-UHFFFAOYSA-N 0 0 522.424 6.555 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000252463135 572261347 /nfs/dbraw/zinc/26/13/47/572261347.db2.gz ZDCDBQPDWJKRKU-UHFFFAOYSA-N 0 0 507.637 6.039 50 30 KKEARN O=C1c2ccc3c(c2O/C1=C\c1cc(F)c(F)c(F)c1)[C@H](c1cccc(Oc2ncccn2)c1)CC(=O)O3 ZINC000252495766 572261709 /nfs/dbraw/zinc/26/17/09/572261709.db2.gz OZKMTWIATKGDHG-JGVLGKFESA-N 0 0 516.431 5.743 50 30 KKEARN O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252588570 572266388 /nfs/dbraw/zinc/26/63/88/572266388.db2.gz ACRZIEFRMOSKGT-OFYGDPCRSA-N 0 0 501.951 7.317 50 30 KKEARN CCOc1cc(Br)c(Br)c(C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1O ZINC000252588860 572266476 /nfs/dbraw/zinc/26/64/76/572266476.db2.gz AFJFLBUTAWDTKS-UHFFFAOYSA-N 0 0 566.249 8.028 50 30 KKEARN COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 ZINC000252589117 572266505 /nfs/dbraw/zinc/26/65/05/572266505.db2.gz AHAPBXKZKPLAFJ-GYIDYNKJSA-N 0 0 618.496 7.687 50 30 KKEARN Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000252589098 572266557 /nfs/dbraw/zinc/26/65/57/572266557.db2.gz AGYNVEABFUBIAD-NGNOOAMGSA-N 0 0 509.650 7.684 50 30 KKEARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1ccc(OC(=O)c2ccccc2I)cc1 ZINC000252591205 572266679 /nfs/dbraw/zinc/26/66/79/572266679.db2.gz AYZJOMBGFFCUAD-UHFFFAOYSA-N 0 0 592.820 8.031 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000252593878 572266745 /nfs/dbraw/zinc/26/67/45/572266745.db2.gz BNUSXBSOMXEZHQ-UUHODFECSA-N 0 0 527.580 6.111 50 30 KKEARN COc1ccccc1OCCOc1c(Cl)cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1OC ZINC000252593043 572266805 /nfs/dbraw/zinc/26/68/05/572266805.db2.gz BIIGCBQWJZYOBY-UHFFFAOYSA-N 0 0 567.090 5.251 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=Nc2ccc(OC)cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252592415 572266817 /nfs/dbraw/zinc/26/68/17/572266817.db2.gz BFHJXUMEBPYBFR-WPYIFHTLSA-N 0 0 620.525 6.338 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=Nc2ccccc2)cc1 ZINC000252595003 572266918 /nfs/dbraw/zinc/26/69/18/572266918.db2.gz BXBSWGHRZPNKNM-ZHWKOZAQSA-N 0 0 545.458 7.522 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252595359 572266946 /nfs/dbraw/zinc/26/69/46/572266946.db2.gz CAGVQZRUWUZJTP-UHFFFAOYSA-N 0 0 596.494 7.085 50 30 KKEARN CCOC(=O)c1c2c(sc1N(Cc1ccccc1O)C(=O)CON=C(C)c1cccs1)CCCC2 ZINC000252596759 572267013 /nfs/dbraw/zinc/26/70/13/572267013.db2.gz CMJFOYYINMKMGK-UHFFFAOYSA-N 0 0 512.653 5.545 50 30 KKEARN COC(=O)c1ccc(N=C2S/C(=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)C(=O)N2C)cc1 ZINC000252600234 572267216 /nfs/dbraw/zinc/26/72/16/572267216.db2.gz DPJBWLWKGGIBLM-YLOHPIGASA-N 0 0 571.880 6.702 50 30 KKEARN CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O ZINC000252600276 572267298 /nfs/dbraw/zinc/26/72/98/572267298.db2.gz DQGILTHASUJGTL-CSMSQXLJSA-N 0 0 535.507 7.890 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000252601248 572267373 /nfs/dbraw/zinc/26/73/73/572267373.db2.gz DYNIJFZGHRRVNJ-SJCQEZNNSA-N 0 0 674.604 8.812 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252602113 572267572 /nfs/dbraw/zinc/26/75/72/572267572.db2.gz FFPNJAGQVSSUAC-UHFFFAOYSA-N 0 0 568.594 5.188 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/c4cc(Br)ccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252603928 572267621 /nfs/dbraw/zinc/26/76/21/572267621.db2.gz FUVPLGBSKYLFGS-VYNMJSKVSA-N 0 0 518.436 6.221 50 30 KKEARN Cc1cccc(N=C2S/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N2c2cccc(C)c2)c1 ZINC000252606806 572267899 /nfs/dbraw/zinc/26/78/99/572267899.db2.gz GVLHDWHALMTBHP-JIMKRCDISA-N 0 0 529.459 8.135 50 30 KKEARN CCCC[C@H]1SC(=NN=Cc2c(OS(=O)(=O)c3ccc(OCC)cc3)ccc3ccccc32)NC1=O ZINC000252607027 572267916 /nfs/dbraw/zinc/26/79/16/572267916.db2.gz GXPBRVXJTCFUET-XMMPIXPASA-N 0 0 525.652 5.118 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N1C ZINC000252608139 572268093 /nfs/dbraw/zinc/26/80/93/572268093.db2.gz HHBHTEFXGWHIIQ-STVHZKCLSA-N 0 0 502.592 5.799 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000252609846 572268179 /nfs/dbraw/zinc/26/81/79/572268179.db2.gz HWFRBCCOKXECLU-OOBWJGTRSA-N 0 0 540.179 8.167 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C2/C(=O)Nc3c2ccc(Cl)c3C)C(=O)N1c1c(C)cccc1C ZINC000252611700 572268305 /nfs/dbraw/zinc/26/83/05/572268305.db2.gz ILUIPWNLDPKKGP-PHLORGBYSA-N 0 0 502.039 7.013 50 30 KKEARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252612000 572268306 /nfs/dbraw/zinc/26/83/06/572268306.db2.gz IOYBXQBHUKEZLA-JHCAPHELSA-N 0 0 512.609 6.347 50 30 KKEARN O=C1NC(=NN=Cc2cc(I)cc(I)c2[O-])S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000252613727 572268478 /nfs/dbraw/zinc/26/84/78/572268478.db2.gz JDJPBPJIWYJHBR-NYAVDZJISA-N 0 0 748.960 5.426 50 30 KKEARN CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252613522 572268491 /nfs/dbraw/zinc/26/84/91/572268491.db2.gz JCMZVVJNEQYBDR-DFZXFXTASA-N 0 0 537.037 6.338 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252613519 572268509 /nfs/dbraw/zinc/26/85/09/572268509.db2.gz JCMZVVJNEQYBDR-CQQVBEJESA-N 0 0 537.037 6.338 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000252614406 572268559 /nfs/dbraw/zinc/26/85/59/572268559.db2.gz JIUCMOFQPPNNPR-JFCXWDENSA-N 0 0 519.000 6.302 50 30 KKEARN Cc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000252615672 572268705 /nfs/dbraw/zinc/26/87/05/572268705.db2.gz JURAWTDBHDVTHP-ZHWKOZAQSA-N 0 0 529.459 8.135 50 30 KKEARN COc1c(Br)cc(Cl)cc1/C=C1\SC(=Nc2c(C)cccc2C)N(c2c(C)cccc2C)C1=O ZINC000252615627 572268719 /nfs/dbraw/zinc/26/87/19/572268719.db2.gz JTTTVTMNMFNFAF-HCKSNIQQSA-N 0 0 555.925 8.153 50 30 KKEARN Clc1ccc(I)cc1-c1nc2cc(N=Cc3cc4c(cc3Cl)OCO4)ccc2o1 ZINC000252615927 572268737 /nfs/dbraw/zinc/26/87/37/572268737.db2.gz JWQFQRGSHIVJPL-UHFFFAOYSA-N 0 0 537.140 6.886 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)/C=C/c5occc5[N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252617161 572268807 /nfs/dbraw/zinc/26/88/07/572268807.db2.gz KNLBJCPWZRLLHA-AUXGTYLKSA-N 0 0 551.768 9.442 50 30 KKEARN Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1cccc(F)c1 ZINC000252616960 572268858 /nfs/dbraw/zinc/26/88/58/572268858.db2.gz KJMTWMBMXXIHRX-NGNOOAMGSA-N 0 0 509.650 7.684 50 30 KKEARN O=C(Cn1cc(/C=C2/SC(=Nc3ccc(F)cc3)N(C3CCCCC3)C2=O)c2ccccc21)N1CCOCC1 ZINC000252617303 572268938 /nfs/dbraw/zinc/26/89/38/572268938.db2.gz KQCJQMKVBSBTPR-PWDAFCLQSA-N 0 0 546.668 5.576 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)NCCc1ccccc1 ZINC000252617628 572268959 /nfs/dbraw/zinc/26/89/59/572268959.db2.gz KXHKSGBRJOIMSJ-UHFFFAOYSA-N 0 0 500.476 6.805 50 30 KKEARN CCn1c2ccccc2c2cc(N=C3S[C@H](CC(=O)Nc4ccc(Cl)cc4)C(=O)N3CC)ccc21 ZINC000252617956 572269046 /nfs/dbraw/zinc/26/90/46/572269046.db2.gz LCIZSECGWGVOEK-XMMPIXPASA-N 0 0 505.043 6.448 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)ccc1OC(C)=O ZINC000252618160 572269117 /nfs/dbraw/zinc/26/91/17/572269117.db2.gz LEMDFQJSBHQJBH-WLRNLMOZSA-N 0 0 514.647 6.944 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)cc(Br)c1O ZINC000252619992 572269249 /nfs/dbraw/zinc/26/92/49/572269249.db2.gz LVPJLHKLJXXLPH-LGSKZASQSA-N 0 0 551.506 7.487 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000252620226 572269347 /nfs/dbraw/zinc/26/93/47/572269347.db2.gz LZRSLQMMISUQEQ-JHKOBTARSA-N 0 0 571.905 8.244 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=Nc1ccc(C)c(C)c1 ZINC000252620174 572269361 /nfs/dbraw/zinc/26/93/61/572269361.db2.gz LYSPSEHFXWWOGH-SNUSUYNMSA-N 0 0 507.055 7.168 50 30 KKEARN CCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccc(Br)c(Cl)c1 ZINC000252621050 572269553 /nfs/dbraw/zinc/26/95/53/572269553.db2.gz MRXDFRUWCNCZIZ-VXWJBAAHSA-N 0 0 531.859 6.897 50 30 KKEARN COc1ccc(C2Oc3ccccc3[C@H](c3ccccc3C)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000252623082 572269923 /nfs/dbraw/zinc/26/99/23/572269923.db2.gz OJSJJKUNMZYPNI-PMERELPUSA-N 0 0 566.570 6.862 50 30 KKEARN C=CCn1c(-c2ccc(Br)cc2)c(C)sc1=NNC(=O)c1cccc(Br)c1 ZINC000252623588 572269986 /nfs/dbraw/zinc/26/99/86/572269986.db2.gz OUVBPVUCWRIPFA-UHFFFAOYSA-N 0 0 507.251 6.057 50 30 KKEARN COc1ccc(N=C2S/C(=C\c3cc(I)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000252623438 572270000 /nfs/dbraw/zinc/27/00/00/572270000.db2.gz ORJXHZPMXHECMQ-KXSRYFARSA-N 0 0 538.407 5.274 50 30 KKEARN CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc(C(=O)NCC45C[C@@H]6C[C@H](C4)CC(c4ccc(C)cc4)(C6)C5)cc3)cc2)cc1 ZINC000252623633 572270021 /nfs/dbraw/zinc/27/00/21/572270021.db2.gz OVSDLVRPUKWGGM-HIQONKKASA-N 0 0 596.771 8.606 50 30 KKEARN COc1cc(Br)c(Br)c(C=Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1O ZINC000252624349 572270106 /nfs/dbraw/zinc/27/01/06/572270106.db2.gz PLYTVGKLRGBEEF-UHFFFAOYSA-N 0 0 501.178 6.220 50 30 KKEARN Cc1cccc(C)c1N=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1c(C)cccc1C ZINC000252623960 572270137 /nfs/dbraw/zinc/27/01/37/572270137.db2.gz PCZPOIKJUKPIIS-SCPLMRELSA-N 0 0 513.062 8.642 50 30 KKEARN COc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4cccc5ccccc54)C(=O)[C@H]23)c1 ZINC000252624120 572270153 /nfs/dbraw/zinc/27/01/53/572270153.db2.gz PGSPKWPDQBXCGQ-ZAAHASPPSA-N 0 0 534.615 6.802 50 30 KKEARN 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PEYPBAHJDIVKQK-UHFFFAOYSA-N 0 0 510.406 5.257 50 30 KKEARN CCN(CC)c1ccc(/C=C2/CCC(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)=C2N2CCOCC2)cc1 ZINC000254443081 1072855752 /nfs/dbraw/zinc/85/57/52/1072855752.db2.gz KXBMYELWRMUDSU-DLOLENHXSA-N 0 0 605.827 6.817 50 30 KKEARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)N=C3N=C4C=CC(Br)=CN4Cc4ccccc43)c2)cc1 ZINC000254482767 1072857331 /nfs/dbraw/zinc/85/73/31/1072857331.db2.gz ZVIPKFQJRSOHNT-UHFFFAOYSA-N 0 0 577.460 5.103 50 30 KKEARN COc1ccc(-c2csc(=Nc3ccccc3OC)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000254493907 1072859171 /nfs/dbraw/zinc/85/91/71/1072859171.db2.gz SBLOEGKLLUPSSP-UHFFFAOYSA-N 0 0 551.668 6.936 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2ccccc2)c1[C@@H](c1c(C)nn(-c2ccccc2)c1N[C@H](O)c1ccccc1)c1ccccc1 ZINC000254516519 1072861642 /nfs/dbraw/zinc/86/16/42/1072861642.db2.gz GKFYHMLLUOZENR-ZSFNYQMMSA-N 0 0 628.780 8.709 50 30 KKEARN CN(C)c1ccc(C=Nn2c(-c3ccc(-c4ccccc4)cc3)csc2=Nc2ccccc2C(F)(F)F)cc1 ZINC000254714685 1072872324 /nfs/dbraw/zinc/87/23/24/1072872324.db2.gz BEGPDEBQTABBNY-UHFFFAOYSA-N 0 0 542.630 8.083 50 30 KKEARN COc1cc(C=NNC(=S)Nc2ccccc2C(F)(F)F)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254740611 1072874410 /nfs/dbraw/zinc/87/44/10/1072874410.db2.gz XHRYREAJFXYKRA-UHFFFAOYSA-N 0 0 544.599 5.977 50 30 KKEARN CCN(CC)c1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=Nc2ccc(F)cc2F)cc1 ZINC000254759036 1072877426 /nfs/dbraw/zinc/87/74/26/1072877426.db2.gz MEWOCQMTIXPVSD-UHFFFAOYSA-N 0 0 528.575 7.057 50 30 KKEARN C(=NNc1cc(-c2ccccc2)c2ccccc2n1)c1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000254791532 1072879320 /nfs/dbraw/zinc/87/93/20/1072879320.db2.gz PURPWCXKOKCVTA-UHFFFAOYSA-N 0 0 514.632 8.959 50 30 KKEARN COc1cc(C=NNC(=S)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254808562 1072880399 /nfs/dbraw/zinc/88/03/99/1072880399.db2.gz MHKIJYCNLUOUED-UHFFFAOYSA-N 0 0 504.656 5.575 50 30 KKEARN CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000254843296 1072884078 /nfs/dbraw/zinc/88/40/78/1072884078.db2.gz KFMMPABNHONZQR-INIZCTEOSA-N 0 0 509.701 5.575 50 30 KKEARN CC[C@@H]1CSC(=Nc2ccc(C(C)=O)cc2)N1C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000254866904 1072886332 /nfs/dbraw/zinc/88/63/32/1072886332.db2.gz VUSLOIJFDICRNN-XMMPIXPASA-N 0 0 535.691 5.760 50 30 KKEARN COc1ccc(NS(=O)(=O)c2ccc(N=NC(C)c3ccc(C4CCCCC4)cc3)c([N+](=O)[O-])c2)cc1 ZINC000254867761 1072886374 /nfs/dbraw/zinc/88/63/74/1072886374.db2.gz FSWXZEAWRXZCDK-UHFFFAOYSA-N 0 0 522.627 6.288 50 30 KKEARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(N=Cc2c(C)nn(-c3ccccc3)c2Cl)c1 ZINC000254907562 1072889470 /nfs/dbraw/zinc/88/94/70/1072889470.db2.gz KMNPODHEFSWIMJ-UHFFFAOYSA-N 0 0 514.095 5.606 50 30 aggregator KKEARN C(=Nn1cnnc1N=NCc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000016480347 1072896888 /nfs/dbraw/zinc/89/68/88/1072896888.db2.gz YOPXWZVELYTFLN-VMHAQCQRSA-N 0 0 502.578 5.764 50 30 KKEARN Cc1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)n1 ZINC000068572892 1072900906 /nfs/dbraw/zinc/90/09/06/1072900906.db2.gz UIYQIFRDZZCPFZ-UHFFFAOYSA-N 0 0 519.246 5.063 50 30 KKEARN C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(/C=N/N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000150444049 1072903452 /nfs/dbraw/zinc/90/34/52/1072903452.db2.gz DKBBOVHILZGXDZ-QLPAPZDMSA-N 0 0 660.774 9.188 50 30 KKEARN CN(C)c1ccc(/C=N/N=C2/SC(=N\c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)c(O)c1 ZINC000002122719 1073199611 /nfs/dbraw/zinc/19/96/11/1073199611.db2.gz AUUYACATBKNECZ-ZIIBQMJVSA-N 0 0 518.646 6.862 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(SC)cc2)cc1OC ZINC000000648374 193865225 /nfs/dbraw/zinc/86/52/25/193865225.db2.gz LIHMQVYGQWLRBT-PIKZIKFNSA-N 0 0 521.679 5.987 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000649120 193866312 /nfs/dbraw/zinc/86/63/12/193866312.db2.gz BLQKAFDDZIRZRS-IQGLISFBSA-N 0 0 515.528 5.647 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000649006 193866334 /nfs/dbraw/zinc/86/63/34/193866334.db2.gz GNRYLWJDUZYSTL-ZOYWYXQUSA-N 0 0 553.655 6.208 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000000650068 193867920 /nfs/dbraw/zinc/86/79/20/193867920.db2.gz KXHDJKXAXSSBFT-YHAMSUFESA-N 0 0 572.452 5.018 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc(Cl)c3C)c2C#N)cc1OC ZINC000006245950 193877130 /nfs/dbraw/zinc/87/71/30/193877130.db2.gz ZBVOUJPDMHJROC-UHFFFAOYSA-N 0 0 544.076 7.306 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000019770990 193884574 /nfs/dbraw/zinc/88/45/74/193884574.db2.gz VOSYOYIMCLKHNY-DEOSSOPVSA-N 0 0 509.986 5.345 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000019800694 193885581 /nfs/dbraw/zinc/88/55/81/193885581.db2.gz HRTKTYVAUXIWJD-UHFFFAOYSA-N 0 0 501.608 5.294 50 30 KKEARN O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100390931 193912808 /nfs/dbraw/zinc/91/28/08/193912808.db2.gz ADKQYOWDFFOQPO-BOTKPODPSA-N 0 0 503.067 7.856 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000000628607 551504511 /nfs/dbraw/zinc/50/45/11/551504511.db2.gz ATFQKUWTULOTRK-UHFFFAOYSA-N 0 0 505.665 5.524 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000000630893 551504736 /nfs/dbraw/zinc/50/47/36/551504736.db2.gz NUVKTOXRCOATKA-CHAGWJKLSA-N 0 0 519.395 6.166 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000000647403 551508380 /nfs/dbraw/zinc/50/83/80/551508380.db2.gz YTKRRPVCSQNFCK-LYZGTLIUSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000647916 551508918 /nfs/dbraw/zinc/50/89/18/551508918.db2.gz OQUUNYCTZDPFOB-CCLHPLFOSA-N 0 0 507.652 5.739 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Br)c1 ZINC000000647958 551509113 /nfs/dbraw/zinc/50/91/13/551509113.db2.gz QNQQHVYPVODZSA-OSPHWJPCSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c(OC)c1 ZINC000000648504 551509890 /nfs/dbraw/zinc/50/98/90/551509890.db2.gz LCRWNKYCCJQNCD-OLILMLBXSA-N 0 0 535.637 5.282 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000000648529 551509979 /nfs/dbraw/zinc/50/99/79/551509979.db2.gz LFKYWNLHPZNHPL-DCFHFQCYSA-N 0 0 510.030 5.918 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000000649224 551511062 /nfs/dbraw/zinc/51/10/62/551511062.db2.gz WPQCLTHGMJAKLL-WBBHLRKXSA-N 0 0 539.628 5.817 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000000649541 551511230 /nfs/dbraw/zinc/51/12/30/551511230.db2.gz RKIAZOCCMCNHML-XBBWARJSSA-N 0 0 596.518 6.322 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000000650147 551511866 /nfs/dbraw/zinc/51/18/66/551511866.db2.gz JGEAEKLDCMYPBT-PBBNMVCDSA-N 0 0 517.622 5.647 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000000650228 551512097 /nfs/dbraw/zinc/51/20/97/551512097.db2.gz LBQQRZPBKRFDNZ-DICHSLLOSA-N 0 0 581.665 5.638 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000000650638 551512208 /nfs/dbraw/zinc/51/22/08/551512208.db2.gz NUUHGYWMNQZSBX-DEOSSOPVSA-N 0 0 511.416 5.381 50 30 KKEARN COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CCCC5)c3N2)c1 ZINC000000650837 551512492 /nfs/dbraw/zinc/51/24/92/551512492.db2.gz SPNXGDNATRSLAU-QUCCMNQESA-N 0 0 501.534 5.616 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)cc1OC ZINC000000663368 551516521 /nfs/dbraw/zinc/51/65/21/551516521.db2.gz SSUAEFRXUJJXDV-UHFFFAOYSA-N 0 0 505.596 6.236 50 30 KKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3cccc(C)c3)c2)C2=C1CC(C)(C)CC2=O ZINC000000665632 551516968 /nfs/dbraw/zinc/51/69/68/551516968.db2.gz ZUEPJIXCVXBJLJ-UHFFFAOYSA-N 0 0 540.704 6.718 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000000665649 551516991 /nfs/dbraw/zinc/51/69/91/551516991.db2.gz ZNFZTICXIUMLSP-UHFFFAOYSA-N 0 0 557.687 6.811 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000000665793 551517453 /nfs/dbraw/zinc/51/74/53/551517453.db2.gz ABUJLRNXBBPSLE-UHFFFAOYSA-N 0 0 506.986 5.067 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C2=C1CCCC2=O ZINC000000665829 551517469 /nfs/dbraw/zinc/51/74/69/551517469.db2.gz HZTGDRGEENKWMR-UHFFFAOYSA-N 0 0 549.067 6.108 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000666922 551517977 /nfs/dbraw/zinc/51/79/77/551517977.db2.gz OSUWSLKXPZXDPE-PPHZAIPVSA-N 0 0 522.041 6.292 50 30 biogenic,in-vitro KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000000667020 551517979 /nfs/dbraw/zinc/51/79/79/551517979.db2.gz HARPXAFXNFTIHE-WINIVTDRSA-N 0 0 554.481 6.027 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000672222 551519481 /nfs/dbraw/zinc/51/94/81/551519481.db2.gz IJBJLRXIGQWDIZ-JKFCTSDTSA-N 0 0 514.625 7.186 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000672325 551519511 /nfs/dbraw/zinc/51/95/11/551519511.db2.gz SYUCUYJSRZXWJT-GZGVDWRWSA-N 0 0 560.650 6.927 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cc(OC)c(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000000672650 551519664 /nfs/dbraw/zinc/51/96/64/551519664.db2.gz RLPPCNDXCBISCP-UHFFFAOYSA-N 0 0 545.676 6.611 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000000673593 551520109 /nfs/dbraw/zinc/52/01/09/551520109.db2.gz IPWHDSCSOVFKGK-RUZDIDTESA-N 0 0 529.555 6.070 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000000678652 551522602 /nfs/dbraw/zinc/52/26/02/551522602.db2.gz NENBLLUQTAYDHB-WTYVLRPYSA-N 0 0 522.041 6.205 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000000678791 551522706 /nfs/dbraw/zinc/52/27/06/551522706.db2.gz YORZBMDTOACWSG-WENCNXQZSA-N 0 0 547.648 5.568 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000679051 551523027 /nfs/dbraw/zinc/52/30/27/551523027.db2.gz TVLKHBHGDUHJNK-CHJDUVSTSA-N 0 0 525.601 6.031 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000000678900 551523047 /nfs/dbraw/zinc/52/30/47/551523047.db2.gz HRTQWKVYYXSVFO-IPBJYNAHSA-N 0 0 539.628 6.421 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Br ZINC000000678956 551523108 /nfs/dbraw/zinc/52/31/08/551523108.db2.gz LFDSEDMZGOBEPC-UPCLLVRISA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2F)cc1OC ZINC000000679221 551523227 /nfs/dbraw/zinc/52/32/27/551523227.db2.gz HFRTYPILXWSMFH-WRONEBCDSA-N 0 0 519.613 6.080 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2Cl)cc1OC ZINC000000679156 551523233 /nfs/dbraw/zinc/52/32/33/551523233.db2.gz SFIRFJDFDLLAFA-WHLCRQNOSA-N 0 0 522.041 6.205 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)N1CCOCC1 ZINC000000680574 551524110 /nfs/dbraw/zinc/52/41/10/551524110.db2.gz YKWNRXZNXSAWIT-UHFFFAOYSA-N 0 0 523.626 5.317 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 ZINC000000681742 551524538 /nfs/dbraw/zinc/52/45/38/551524538.db2.gz QSGYSFROCRAIND-DXPJPUQTSA-N 0 0 521.411 6.151 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccco2)cc1 ZINC000000681773 551524638 /nfs/dbraw/zinc/52/46/38/551524638.db2.gz XBERHAOLEBHNRL-WINIVTDRSA-N 0 0 523.555 6.589 50 30 KKEARN CCOc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccc(OC)cc2)C1 ZINC000000681856 551524714 /nfs/dbraw/zinc/52/47/14/551524714.db2.gz RHXKCELLJHEEHF-HMILPKGGSA-N 0 0 536.550 6.557 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000000681752 551524746 /nfs/dbraw/zinc/52/47/46/551524746.db2.gz LPRZLVPWXHUBQR-CBZJRKILSA-N 0 0 535.438 6.542 50 30 KKEARN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccco2)cc1 ZINC000000681771 551524771 /nfs/dbraw/zinc/52/47/71/551524771.db2.gz XBERHAOLEBHNRL-XHCCPWGMSA-N 0 0 523.555 6.589 50 30 KKEARN COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)cc(-c4cccc(OC)c4OC)c3C#N)C2=O)cc1 ZINC000000688302 551526405 /nfs/dbraw/zinc/52/64/05/551526405.db2.gz MTPCPCSVADOLNM-HHHXNRCGSA-N 0 0 551.624 5.737 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000000689195 551526736 /nfs/dbraw/zinc/52/67/36/551526736.db2.gz CZJPLLGGDUWVIZ-HRFSGMKKSA-N 0 0 517.551 6.409 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000000689754 551526992 /nfs/dbraw/zinc/52/69/92/551526992.db2.gz KXFFLGWVSKLDOC-QHCPKHFHSA-N 0 0 520.935 5.983 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000000689608 551527036 /nfs/dbraw/zinc/52/70/36/551527036.db2.gz XWKRKEYIDNSNQU-WRONEBCDSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccccc1Br ZINC000000695868 551527969 /nfs/dbraw/zinc/52/79/69/551527969.db2.gz JOBYZZCDIZEMNK-LJAQVGFWSA-N 0 0 588.502 6.347 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(N(C)C)cc2)nc1C ZINC000000702945 551529729 /nfs/dbraw/zinc/52/97/29/551529729.db2.gz YYQWJUGVTGCZIH-QFIPXVFZSA-N 0 0 501.564 5.249 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000000703034 551530229 /nfs/dbraw/zinc/53/02/29/551530229.db2.gz FDOREGMMNLPNNE-OLILMLBXSA-N 0 0 542.632 5.617 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000000703085 551530613 /nfs/dbraw/zinc/53/06/13/551530613.db2.gz BSWBDNYVVBLDHW-HMILPKGGSA-N 0 0 531.605 5.815 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000000703091 551530665 /nfs/dbraw/zinc/53/06/65/551530665.db2.gz NRFBZUGEWRBMHJ-WENCNXQZSA-N 0 0 551.595 5.969 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nc2sc3c(c2c1=O)CCC3 ZINC000000707057 551531669 /nfs/dbraw/zinc/53/16/69/551531669.db2.gz DPPMEJFJLRWRSN-UHFFFAOYSA-N 0 0 533.675 5.302 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000000707862 551531849 /nfs/dbraw/zinc/53/18/49/551531849.db2.gz FJZSFPXLVUJBAO-ZTOMLWHTSA-N 0 0 501.623 5.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc3c(cc2Cl)OCO3)cc1 ZINC000000708076 551532164 /nfs/dbraw/zinc/53/21/64/551532164.db2.gz NKGFUFPEMNDYQE-XRHLQHRESA-N 0 0 524.013 5.638 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 ZINC000000708220 551532363 /nfs/dbraw/zinc/53/23/63/551532363.db2.gz CRTNIQBRWJZGGE-BVZFJXPGSA-N 0 0 500.422 6.315 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(I)sc1SC ZINC000000712407 551533351 /nfs/dbraw/zinc/53/33/51/551533351.db2.gz LLSSBVQWKQMLQJ-MRXNPFEDSA-N 0 0 517.454 5.242 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(SCC(=O)Nc2ccccc2)o1 ZINC000000712572 551533623 /nfs/dbraw/zinc/53/36/23/551533623.db2.gz ZEEGAQUVTJZWEW-PMERELPUSA-N 0 0 508.643 7.473 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)OCc1ccccc1 ZINC000000713197 551533680 /nfs/dbraw/zinc/53/36/80/551533680.db2.gz CNCCMOHSDYCPMP-UHFFFAOYSA-N 0 0 544.644 6.218 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc(Br)ccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000000717684 551534799 /nfs/dbraw/zinc/53/47/99/551534799.db2.gz RMKBYVMPLCHDTJ-IZHWHUGBSA-N 0 0 530.459 6.497 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(Br)c2)cc1OC ZINC000000718072 551535029 /nfs/dbraw/zinc/53/50/29/551535029.db2.gz QXFIEMVEGAQGAU-XGCWNURASA-N 0 0 523.402 6.585 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000000718274 551535192 /nfs/dbraw/zinc/53/51/92/551535192.db2.gz CLXOGWXCTKHVCL-XJFCNFDWSA-N 0 0 508.618 6.420 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000718147 551535233 /nfs/dbraw/zinc/53/52/33/551535233.db2.gz CUZCICFXLCZOFG-QJWGWKRISA-N 0 0 542.632 6.032 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc(OC)c1OC ZINC000000719126 551535747 /nfs/dbraw/zinc/53/57/47/551535747.db2.gz NGYLIUDTLREWFV-YVORESIASA-N 0 0 508.977 6.484 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Br)c1O ZINC000000729564 551539389 /nfs/dbraw/zinc/53/93/89/551539389.db2.gz PACIYGJOGWLZGY-QLXKLKPCSA-N 0 0 505.412 6.451 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000000729513 551539424 /nfs/dbraw/zinc/53/94/24/551539424.db2.gz ZSEMYKZZOZRERI-WVDZOPJMSA-N 0 0 551.039 6.450 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 ZINC000000797837 551543155 /nfs/dbraw/zinc/54/31/55/551543155.db2.gz HHNBGIMBUORBOC-VWLOTQADSA-N 0 0 526.976 5.541 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000000801124 551543408 /nfs/dbraw/zinc/54/34/08/551543408.db2.gz QCLBTILWSZSRMP-QXNWPYRLSA-N 0 0 523.629 5.851 50 30 KKEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cc(Br)cc(Br)c2O)C2=C(CC(C)(C)CC2=O)N1 ZINC000000825847 551544802 /nfs/dbraw/zinc/54/48/02/551544802.db2.gz IRAWZXNAJKVOTF-GOSISDBHSA-N 0 0 527.253 5.473 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000844126 551547661 /nfs/dbraw/zinc/54/76/61/551547661.db2.gz NCDXQEPYCVFZNG-GAJHUEQPSA-N 0 0 500.820 6.027 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000848096 551549361 /nfs/dbraw/zinc/54/93/61/551549361.db2.gz HXALGTPNFRXQHM-WBBHLRKXSA-N 0 0 539.628 5.905 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000000861263 551551033 /nfs/dbraw/zinc/55/10/33/551551033.db2.gz LJODMNJPEYYMHO-YJNPBZNESA-N 0 0 595.692 6.167 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000000861309 551551290 /nfs/dbraw/zinc/55/12/90/551551290.db2.gz MZQGMZCHLANECT-PZGXJGMVSA-N 0 0 544.047 6.202 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000861280 551551307 /nfs/dbraw/zinc/55/13/07/551551307.db2.gz HLKOVGOJHIGJSU-RBTNQOKQSA-N 0 0 505.611 5.273 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cccc(Br)c2)cc1 ZINC000000861458 551551521 /nfs/dbraw/zinc/55/15/21/551551521.db2.gz RZSFUNNIDRURSS-RXFWQSSRSA-N 0 0 524.455 6.019 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(Cl)cc2Cl)cc1OC ZINC000000863406 551551859 /nfs/dbraw/zinc/55/18/59/551551859.db2.gz LMOVYNIAHXAJTM-MRDQGFSESA-N 0 0 530.448 6.324 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000863454 551552035 /nfs/dbraw/zinc/55/20/35/551552035.db2.gz DTPBUWPSMBVQCP-DWXRJYCRSA-N 0 0 530.448 6.324 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000863505 551552049 /nfs/dbraw/zinc/55/20/49/551552049.db2.gz XEQSKYFSQLGDNA-NPMXOYFQSA-N 0 0 502.394 5.545 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(Cl)c2Cl)cc1OC ZINC000000863464 551552054 /nfs/dbraw/zinc/55/20/54/551552054.db2.gz HUOSEOAAZFUXFK-GKVSMKOHSA-N 0 0 530.448 6.324 50 30 KKEARN CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000864957 551552355 /nfs/dbraw/zinc/55/23/55/551552355.db2.gz CBOCRASEOKOXNZ-MUUNZHRXSA-N 0 0 509.562 5.989 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000000867316 551553336 /nfs/dbraw/zinc/55/33/36/551553336.db2.gz AKWOXFZBZVQYNZ-CPJLOUKISA-N 0 0 512.484 5.760 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1 ZINC000000867322 551553377 /nfs/dbraw/zinc/55/33/77/551553377.db2.gz LLSZIEVIUOSCSF-BNHRFMORSA-N 0 0 509.650 6.462 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000000959810 551590023 /nfs/dbraw/zinc/59/00/23/551590023.db2.gz HSNMIEKELVUMSR-NRFANRHFSA-N 0 0 522.026 5.645 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000000959773 551590038 /nfs/dbraw/zinc/59/00/38/551590038.db2.gz MGSFISYFCRDIFL-HXUWFJFHSA-N 0 0 506.559 5.722 50 30 KKEARN Cc1cccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(C)C4=C3C(=O)CC(C)(C)C4)c2)c1 ZINC000000987412 551593141 /nfs/dbraw/zinc/59/31/41/551593141.db2.gz CERYNZHPXVAELJ-UHFFFAOYSA-N 0 0 526.677 6.328 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3n2)cc1 ZINC000000997748 551595166 /nfs/dbraw/zinc/59/51/66/551595166.db2.gz ZBQLGMDGOSVZHW-ZDUSSCGKSA-N 0 0 511.529 5.734 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000001002469 551595739 /nfs/dbraw/zinc/59/57/39/551595739.db2.gz VKRBJIKHEWHXMH-XGJRVREISA-N 0 0 562.666 6.045 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000001010307 551596795 /nfs/dbraw/zinc/59/67/95/551596795.db2.gz CBAIXGULIRHKSO-DCEDVJGZSA-N 0 0 557.565 5.428 50 30 KKEARN COc1cc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)c([N+](=O)[O-])cc1OC ZINC000001049202 551599382 /nfs/dbraw/zinc/59/93/82/551599382.db2.gz ABVRWVZQCYOPNN-GOSISDBHSA-N 0 0 500.338 6.135 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000001070637 551602515 /nfs/dbraw/zinc/60/25/15/551602515.db2.gz WCEKOHGEXIYCLY-CLYVBNDRSA-N 0 0 552.549 6.175 50 30 KKEARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3N2)cc1OC ZINC000001070735 551602932 /nfs/dbraw/zinc/60/29/32/551602932.db2.gz MNYLKNJCPQYLIF-JCHSIQAQSA-N 0 0 545.587 5.871 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000001074632 551603492 /nfs/dbraw/zinc/60/34/92/551603492.db2.gz GCRCDNFWGYGYHU-RXFWQSSRSA-N 0 0 500.576 5.761 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000001076961 551604333 /nfs/dbraw/zinc/60/43/33/551604333.db2.gz LMRMTNWBYNPHID-SOKVYYICSA-N 0 0 501.539 5.600 50 30 KKEARN CCOc1c(Br)cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000001077156 551604519 /nfs/dbraw/zinc/60/45/19/551604519.db2.gz ZJECRKRHKCRJRB-SGANQWHYSA-N 0 0 525.468 6.897 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001077314 551604530 /nfs/dbraw/zinc/60/45/30/551604530.db2.gz SAFLHYQXSVLJEQ-JRPXNJEYSA-N 0 0 545.632 5.670 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001077322 551604588 /nfs/dbraw/zinc/60/45/88/551604588.db2.gz SAFLHYQXSVLJEQ-URAOTHONSA-N 0 0 545.632 5.670 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000001077471 551604891 /nfs/dbraw/zinc/60/48/91/551604891.db2.gz RFVPDVZUURHAPJ-YMGMXPECSA-N 0 0 565.464 6.550 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000001082085 551605840 /nfs/dbraw/zinc/60/58/40/551605840.db2.gz ZXNCQEVWDZYXPJ-WBBHLRKXSA-N 0 0 523.629 6.199 50 30 KKEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2cnc3ccccc3n2)c1 ZINC000001088157 551606606 /nfs/dbraw/zinc/60/66/06/551606606.db2.gz GTKUNYWYUIXHJZ-IIMAJNMQSA-N 0 0 501.590 5.334 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1OC ZINC000001102593 551608817 /nfs/dbraw/zinc/60/88/17/551608817.db2.gz FUMAORQPDZWLRH-NSYGIPOTSA-N 0 0 523.651 5.621 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1OC ZINC000001102594 551608848 /nfs/dbraw/zinc/60/88/48/551608848.db2.gz FUMAORQPDZWLRH-SSOJOUAXSA-N 0 0 523.651 5.621 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(I)o2)S/C(=N\c2ccccc2)N1C[C@H]1CCCO1 ZINC000001106757 551610121 /nfs/dbraw/zinc/61/01/21/551610121.db2.gz KSTFHHKMCMUAGW-SQAAPWIMSA-N 0 0 559.223 5.430 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000001111158 551611346 /nfs/dbraw/zinc/61/13/46/551611346.db2.gz QFLZUQODKRTDAC-WKRVVKTRSA-N 0 0 552.627 5.741 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001111154 551611380 /nfs/dbraw/zinc/61/13/80/551611380.db2.gz IFQPSCALQUNFFU-UVDDSOTQSA-N 0 0 583.641 5.929 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccs1 ZINC000001111163 551611401 /nfs/dbraw/zinc/61/14/01/551611401.db2.gz QXNFUQRIHFCZPE-ADXZGYQBSA-N 0 0 530.646 5.774 50 30 KKEARN COc1cc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000001122448 551613349 /nfs/dbraw/zinc/61/33/49/551613349.db2.gz VQVWLTQYAVNPGC-QFIPXVFZSA-N 0 0 551.640 5.840 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000001123169 551613481 /nfs/dbraw/zinc/61/34/81/551613481.db2.gz AIWBEWWMLSPFKF-CYBMUJFWSA-N 0 0 508.406 5.132 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000001129926 551615386 /nfs/dbraw/zinc/61/53/86/551615386.db2.gz FUKDUHQIGAJSOT-XMMPIXPASA-N 0 0 539.426 5.429 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001132133 551615978 /nfs/dbraw/zinc/61/59/78/551615978.db2.gz ZNOJXNMKRIELNN-NGOKVRLYSA-N 0 0 513.546 5.122 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)c(Br)c1 ZINC000001152229 551619364 /nfs/dbraw/zinc/61/93/64/551619364.db2.gz HVKKHYAFVBLEAO-NPMXOYFQSA-N 0 0 500.364 5.131 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001151761 551619389 /nfs/dbraw/zinc/61/93/89/551619389.db2.gz ZQUSMECIBQVOEK-UZTOHYMASA-N 0 0 502.567 5.451 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2coc3ccccc3c2=O)cc1 ZINC000001152096 551619391 /nfs/dbraw/zinc/61/93/91/551619391.db2.gz GZGHGWNTPDSGEM-ACSYHNTCSA-N 0 0 553.636 5.968 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001151760 551619392 /nfs/dbraw/zinc/61/93/92/551619392.db2.gz ZQUSMECIBQVOEK-WINIVTDRSA-N 0 0 502.567 5.451 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000001168231 551620220 /nfs/dbraw/zinc/62/02/20/551620220.db2.gz VTPVYIFYCAVANL-MMTVBGGISA-N 0 0 501.424 6.760 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000001181911 551620898 /nfs/dbraw/zinc/62/08/98/551620898.db2.gz LSBRICPLGPFHAA-JWIGPWBQSA-N 0 0 505.958 6.245 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000001199030 551623038 /nfs/dbraw/zinc/62/30/38/551623038.db2.gz GIQXVFDOZPSQOZ-JOCHJYFZSA-N 0 0 507.340 5.178 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000001202526 551623856 /nfs/dbraw/zinc/62/38/56/551623856.db2.gz LIHYXEHTTMJYSB-WVXBCFDCSA-N 0 0 544.047 6.202 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000001203969 551624233 /nfs/dbraw/zinc/62/42/33/551624233.db2.gz COJIYHDJZSNXQY-RNWIMVQKSA-N 0 0 514.021 6.193 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001213284 551625600 /nfs/dbraw/zinc/62/56/00/551625600.db2.gz UTCUJNYURCINBS-CUBQBAPOSA-N 0 0 501.623 5.592 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2Br)cc1 ZINC000001214088 551626066 /nfs/dbraw/zinc/62/60/66/551626066.db2.gz MQDPYUWEEIHMHF-HPGBDJQBSA-N 0 0 535.438 6.454 50 30 KKEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)CC2=C1[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2 ZINC000001214059 551626068 /nfs/dbraw/zinc/62/60/68/551626068.db2.gz LYSDSVPXIPAAPA-QZXCRCNTSA-N 0 0 533.378 5.886 50 30 KKEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000001235479 551629959 /nfs/dbraw/zinc/62/99/59/551629959.db2.gz FTXHHYBIBMRZFG-UHFFFAOYSA-N 0 0 566.319 5.916 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001261523 551633681 /nfs/dbraw/zinc/63/36/81/551633681.db2.gz JKUBBKLSTHOFOP-DJUQAAIZSA-N 0 0 534.637 6.749 50 30 KKEARN CCOc1cc(Br)cc(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1O ZINC000001261815 551633745 /nfs/dbraw/zinc/63/37/45/551633745.db2.gz GGJHIIJOXVFEAJ-WGOQTCKBSA-N 0 0 514.445 5.328 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000001293533 551637279 /nfs/dbraw/zinc/63/72/79/551637279.db2.gz BVTQPPNNKUMGBJ-NRUKRWIHSA-N 0 0 538.644 6.429 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001299044 551637866 /nfs/dbraw/zinc/63/78/66/551637866.db2.gz WQOXGCDAFJMLJU-JCOAXYOVSA-N 0 0 554.643 6.032 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000001303165 551638513 /nfs/dbraw/zinc/63/85/13/551638513.db2.gz LYYYXIWLMVGEQO-GDJIYFAZSA-N 0 0 552.549 6.175 50 30 KKEARN COc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001323128 551642052 /nfs/dbraw/zinc/64/20/52/551642052.db2.gz LWEDEMYOOUAYRQ-BGOLNKOXSA-N 0 0 550.611 6.520 50 30 biogenic KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)cc1OC ZINC000001413284 551665091 /nfs/dbraw/zinc/66/50/91/551665091.db2.gz NJQWTJXDUIIPOU-XMMPIXPASA-N 0 0 522.395 5.287 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000001413289 551665130 /nfs/dbraw/zinc/66/51/30/551665130.db2.gz DRGWDKIKUPJICH-VWLOTQADSA-N 0 0 552.421 5.296 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000001413408 551665423 /nfs/dbraw/zinc/66/54/23/551665423.db2.gz URJIABDBVUHERS-DEOSSOPVSA-N 0 0 501.380 5.751 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413427 551665453 /nfs/dbraw/zinc/66/54/53/551665453.db2.gz SXUVCPRNSWVEMA-AREMUKBSSA-N 0 0 561.432 5.769 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000001413419 551665489 /nfs/dbraw/zinc/66/54/89/551665489.db2.gz WURXXEVVXITJLP-XMMPIXPASA-N 0 0 519.370 5.891 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413481 551665761 /nfs/dbraw/zinc/66/57/61/551665761.db2.gz JLJQKSVRYSBYDQ-RUZDIDTESA-N 0 0 514.965 5.429 50 30 KKEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001413503 551665842 /nfs/dbraw/zinc/66/58/42/551665842.db2.gz HXXXULYAFISUCJ-RUZDIDTESA-N 0 0 531.406 5.760 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000001413477 551665860 /nfs/dbraw/zinc/66/58/60/551665860.db2.gz ZJWMEGODYFUORM-AREMUKBSSA-N 0 0 516.981 5.660 50 30 KKEARN CCOc1cc(OCC)c(/C=C2/S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1Br ZINC000001413690 551665994 /nfs/dbraw/zinc/66/59/94/551665994.db2.gz UTQUOJXAOMHBLG-WNIMSWJZSA-N 0 0 546.487 5.317 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001413510 551666019 /nfs/dbraw/zinc/66/60/19/551666019.db2.gz UXRAPDBLTDGOQT-MHZLTWQESA-N 0 0 512.562 5.015 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001414701 551666335 /nfs/dbraw/zinc/66/63/35/551666335.db2.gz GKYONOJYNXVHPC-VWLOTQADSA-N 0 0 515.407 6.060 50 30 KKEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1 ZINC000001414730 551666399 /nfs/dbraw/zinc/66/63/99/551666399.db2.gz WPQPBRWWGIIYHF-RUZDIDTESA-N 0 0 515.407 6.060 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@H]2c1ccsc1 ZINC000001421895 551668623 /nfs/dbraw/zinc/66/86/23/551668623.db2.gz CPAVQABVMIQGDU-INIZCTEOSA-N 0 0 516.113 6.709 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1cc(OC)c(OC)c(OC)c1)CCCC2 ZINC000001423018 551668761 /nfs/dbraw/zinc/66/87/61/551668761.db2.gz AVMTWRQDADZTEJ-RUZDIDTESA-N 0 0 594.730 5.682 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000001431244 551670221 /nfs/dbraw/zinc/67/02/21/551670221.db2.gz KGOQSHVMWDEQGR-HRFSGMKKSA-N 0 0 515.631 5.870 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000001431248 551670240 /nfs/dbraw/zinc/67/02/40/551670240.db2.gz PWTDAXFHAJKGCW-NGOKVRLYSA-N 0 0 515.631 5.870 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000001431241 551670242 /nfs/dbraw/zinc/67/02/42/551670242.db2.gz HSUUXWMRFCQIIW-XRHLQHRESA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001431229 551670249 /nfs/dbraw/zinc/67/02/49/551670249.db2.gz YTEBPSZIPLMKRH-PIIWDFAUSA-N 0 0 529.614 5.590 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(OCC)cc1 ZINC000001432343 551670448 /nfs/dbraw/zinc/67/04/48/551670448.db2.gz FRCBYUUYHAFMRP-IWHLBADBSA-N 0 0 533.621 5.996 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000001434653 551670640 /nfs/dbraw/zinc/67/06/40/551670640.db2.gz AYZKKFSZMACBTB-SKCUWOTOSA-N 0 0 528.630 6.112 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc(Cl)c1O ZINC000001434753 551671034 /nfs/dbraw/zinc/67/10/34/551671034.db2.gz FDLRMEUIOUVSDG-LBEKAKSKSA-N 0 0 535.040 6.831 50 30 KKEARN COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1 ZINC000001434716 551671051 /nfs/dbraw/zinc/67/10/51/551671051.db2.gz WCJTZSUFEHSVDU-VKGTZQKMSA-N 0 0 514.578 5.479 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(Br)c2)cc1OC ZINC000001434763 551671054 /nfs/dbraw/zinc/67/10/54/551671054.db2.gz OQFACLALZHJCAC-SONOPUAISA-N 0 0 549.465 6.845 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OCC)c(OC)c2)C3)cc(Cl)c1O ZINC000001434751 551671061 /nfs/dbraw/zinc/67/10/61/551671061.db2.gz FDLRMEUIOUVSDG-LDLUVENISA-N 0 0 535.040 6.831 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000001437507 551671407 /nfs/dbraw/zinc/67/14/07/551671407.db2.gz DPUDIVIYBCKIIS-CBZJRKILSA-N 0 0 524.539 6.711 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000001438139 551671642 /nfs/dbraw/zinc/67/16/42/551671642.db2.gz NLZXAWLPYNMGOV-UULLZXFKSA-N 0 0 565.464 6.463 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1OC ZINC000001438098 551671687 /nfs/dbraw/zinc/67/16/87/551671687.db2.gz XOJNHXHZFIUWSJ-WRHNGFHOSA-N 0 0 549.465 6.845 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000001438091 551671704 /nfs/dbraw/zinc/67/17/04/551671704.db2.gz OSRRGCGCGLWZLB-JYRCXFKTSA-N 0 0 535.438 6.454 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001438577 551671968 /nfs/dbraw/zinc/67/19/68/551671968.db2.gz YUOPCKUXXVLCKX-PBBNMVCDSA-N 0 0 545.657 5.879 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000001438610 551672260 /nfs/dbraw/zinc/67/22/60/551672260.db2.gz ZQUATWQPGUUNKP-RBTNQOKQSA-N 0 0 529.658 5.913 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000001438584 551672268 /nfs/dbraw/zinc/67/22/68/551672268.db2.gz LULFRYIMJSQNHU-WXTAPIANSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000001438587 551672301 /nfs/dbraw/zinc/67/23/01/551672301.db2.gz LULFRYIMJSQNHU-QYBDOPJKSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001438583 551672328 /nfs/dbraw/zinc/67/23/28/551672328.db2.gz VJKUFSVISAQTRV-DCFHFQCYSA-N 0 0 530.602 5.770 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001439740 551672435 /nfs/dbraw/zinc/67/24/35/551672435.db2.gz HNVAEUKDYVXWSU-ONOMSOESSA-N 0 0 559.684 5.921 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Cl)OCO3)cc1OC ZINC000001439882 551672819 /nfs/dbraw/zinc/67/28/19/551672819.db2.gz BKQSMAZOQTXVLE-SFNQZPIRSA-N 0 0 518.997 6.456 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3)s1)C(=O)C[C@@H]2c1ccccc1Cl ZINC000001444422 551673845 /nfs/dbraw/zinc/67/38/45/551673845.db2.gz YVVINSGNVKCPBS-GOSISDBHSA-N 0 0 510.084 6.648 50 30 KKEARN Cc1ccccc1[C@@H]1CC(=O)N(c2nnc(SCc3cccc(C(F)(F)F)c3)s2)C2=C1C(=O)CCC2 ZINC000001445839 551674018 /nfs/dbraw/zinc/67/40/18/551674018.db2.gz XMCMZVSDLOANDB-IBGZPJMESA-N 0 0 529.609 6.685 50 30 KKEARN O=C1CCCC2=C1[C@H](c1ccccc1F)CC(=O)N2c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000001445957 551674058 /nfs/dbraw/zinc/67/40/58/551674058.db2.gz OFLGADRXBWDMJW-KRWDZBQOSA-N 0 0 533.572 6.516 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001449925 551674849 /nfs/dbraw/zinc/67/48/49/551674849.db2.gz LQXOGNYBOBNZOQ-AREMUKBSSA-N 0 0 574.655 6.121 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000001450577 551675572 /nfs/dbraw/zinc/67/55/72/551675572.db2.gz KTHMMLXWKPGSDP-XMMPIXPASA-N 0 0 500.576 5.659 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000001451420 551676065 /nfs/dbraw/zinc/67/60/65/551676065.db2.gz JKLJUPQRECJPLS-SANMLTNESA-N 0 0 544.629 6.030 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000001453813 551676349 /nfs/dbraw/zinc/67/63/49/551676349.db2.gz FHAAAGBQBBZVLT-XFSFLGPDSA-N 0 0 596.705 6.997 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000001456951 551676731 /nfs/dbraw/zinc/67/67/31/551676731.db2.gz PINFLBBQVAGMKE-JQJBXXCASA-N 0 0 530.624 6.918 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC[C@@H]2CCCO2)cc1OC ZINC000001459841 551677979 /nfs/dbraw/zinc/67/79/79/551677979.db2.gz BUUKWZDNHRKJFA-UZTOHYMASA-N 0 0 521.683 5.374 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000001460726 551678014 /nfs/dbraw/zinc/67/80/14/551678014.db2.gz SMSLGUXUJLFQIA-GHRAFVERSA-N 0 0 568.670 6.030 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(C)ccc2C)cc1OC ZINC000001460717 551678019 /nfs/dbraw/zinc/67/80/19/551678019.db2.gz LQOIMGKVLVDPIQ-BNHRFMORSA-N 0 0 536.672 6.629 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)NC[C@@H]2CCCO2)cc1OC ZINC000001459842 551678060 /nfs/dbraw/zinc/67/80/60/551678060.db2.gz BUUKWZDNHRKJFA-PPHZAIPVSA-N 0 0 521.683 5.374 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460737 551678072 /nfs/dbraw/zinc/67/80/72/551678072.db2.gz ISFRBLMCZHDYNQ-APYJYERMSA-N 0 0 584.669 5.817 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000001460759 551678232 /nfs/dbraw/zinc/67/82/32/551678232.db2.gz QWHSTXVMUMFHAU-GHRAFVERSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1C ZINC000001460820 551678515 /nfs/dbraw/zinc/67/85/15/551678515.db2.gz ZLNVIZHGFARTRG-JPZYQRIQSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000001460795 551678553 /nfs/dbraw/zinc/67/85/53/551678553.db2.gz WYLLWLSAMWOFKL-OGVWKLGRSA-N 0 0 566.698 6.836 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(OC)c2)cc1 ZINC000001460974 551679024 /nfs/dbraw/zinc/67/90/24/551679024.db2.gz GDKQKOOTDWDHKY-UGDMGKLASA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460995 551679034 /nfs/dbraw/zinc/67/90/34/551679034.db2.gz GPYWOILXFVYHOE-UGDMGKLASA-N 0 0 554.643 5.727 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1O ZINC000001460982 551679039 /nfs/dbraw/zinc/67/90/39/551679039.db2.gz MNRABOZNVIBHCU-BGOLNKOXSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001461016 551679159 /nfs/dbraw/zinc/67/91/59/551679159.db2.gz KFLLPDDIWRSKPL-HEIROHQZSA-N 0 0 568.670 6.030 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001461072 551679177 /nfs/dbraw/zinc/67/91/77/551679177.db2.gz YUECDQJVSAGNMJ-HEIROHQZSA-N 0 0 568.670 6.117 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000001461014 551679192 /nfs/dbraw/zinc/67/91/92/551679192.db2.gz KFLLPDDIWRSKPL-UDNBHOFDSA-N 0 0 568.670 6.030 50 30 KKEARN O=C(CC1S/C(=N\C(=O)c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000001470581 551680106 /nfs/dbraw/zinc/68/01/06/551680106.db2.gz NHNVGGXQOVRQIE-VUFATCQFSA-N 0 0 508.397 5.123 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480832 551681926 /nfs/dbraw/zinc/68/19/26/551681926.db2.gz RQQPDKNANDTKGS-VWLOTQADSA-N 0 0 560.628 5.812 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480828 551681932 /nfs/dbraw/zinc/68/19/32/551681932.db2.gz ORXZEVKOWRKOIK-DEOSSOPVSA-N 0 0 530.602 5.804 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482302 551682621 /nfs/dbraw/zinc/68/26/21/551682621.db2.gz AUPDCIBSLMIYDZ-QHCPKHFHSA-N 0 0 534.565 5.553 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000001746299 551691857 /nfs/dbraw/zinc/69/18/57/551691857.db2.gz UICZBOXOKFLNRC-UHFFFAOYSA-N 0 0 529.662 6.833 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(N(C)C)cc1 ZINC000001751179 551693380 /nfs/dbraw/zinc/69/33/80/551693380.db2.gz GYNDNZJMZCWAOM-NFAPWKBDSA-N 0 0 586.486 5.457 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000001772336 551696748 /nfs/dbraw/zinc/69/67/48/551696748.db2.gz ABCCNTJPVXPLOX-UHFFFAOYSA-N 0 0 546.117 7.347 50 30 KKEARN O=C(NC1CCCCC1)c1c(/N=C/c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 ZINC000001792675 551702208 /nfs/dbraw/zinc/70/22/08/551702208.db2.gz QVLJPAWRSROSGX-IPPBACCNSA-N 0 0 546.476 7.915 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000001820920 551708801 /nfs/dbraw/zinc/70/88/01/551708801.db2.gz NVESFBXAWNNACP-IADCTJSHSA-N 0 0 513.638 7.469 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000001821610 551708962 /nfs/dbraw/zinc/70/89/62/551708962.db2.gz PMSSNPIKIAHVBV-UQQQWYQISA-N 0 0 538.032 5.437 50 30 KKEARN CCOc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000001822916 551709089 /nfs/dbraw/zinc/70/90/89/551709089.db2.gz IEKLYNPVBLLWIN-UHFFFAOYSA-N 0 0 571.102 7.272 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)n(Cc2ccccc2)c(-c2ccccc2)c4-c2ccccc2)cc1 ZINC000001828272 551710678 /nfs/dbraw/zinc/71/06/78/551710678.db2.gz SWDXBPMHPOACHI-FDALDRLYSA-N 0 0 564.649 7.021 50 30 KKEARN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000001832290 551711689 /nfs/dbraw/zinc/71/16/89/551711689.db2.gz NQFQIMVWXTVBID-CCVNUDIWSA-N 0 0 524.436 7.281 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCCCC2)c1O ZINC000001840192 551714026 /nfs/dbraw/zinc/71/40/26/551714026.db2.gz FQBZVTYUYNCTKT-KKMKTNMSSA-N 0 0 550.213 7.076 50 30 KKEARN COc1cccc(CN2C(=O)[C@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C(C(=O)c3ccccc3)=C2C)c1OC ZINC000001858298 551716687 /nfs/dbraw/zinc/71/66/87/551716687.db2.gz WOBOOXHQBBQOON-HKBQPEDESA-N 0 0 596.602 5.721 50 30 KKEARN CN(C)c1cccc2c1C(=O)C=CC21[C@@H](c2ccccc2)c2ccc(N(C)C)c3c2c(ccc3N(C)C)[C@@H]1c1ccccc1 ZINC000001867751 551718382 /nfs/dbraw/zinc/71/83/82/551718382.db2.gz WIJROHVCZXZVRL-YDAXCOIMSA-N 0 0 577.772 8.006 50 30 KKEARN COC(=O)[C@]1(OC)C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(OC(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1 ZINC000001869151 551719060 /nfs/dbraw/zinc/71/90/60/551719060.db2.gz UJVQPBSBWHFANL-MGBGTMOVSA-N 0 0 578.577 5.400 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000001876676 551722656 /nfs/dbraw/zinc/72/26/56/551722656.db2.gz LZRSLQMMISUQEQ-OUGGDVFGSA-N 0 0 571.905 8.244 50 30 KKEARN N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Br)cc1 ZINC000001876477 551722697 /nfs/dbraw/zinc/72/26/97/551722697.db2.gz SRKHCJKGPAMWSO-UHFFFAOYSA-N 0 0 579.317 7.543 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc3ccccc31)-c1ccccc1CC21CCCCC1 ZINC000001878997 551723602 /nfs/dbraw/zinc/72/36/02/551723602.db2.gz IALBHJFYBDAQHW-UHFFFAOYSA-N 0 0 521.686 6.738 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1CCc1ccc(F)cc1 ZINC000001880013 551724013 /nfs/dbraw/zinc/72/40/13/551724013.db2.gz WQUUVJMSFCGSKZ-HHHXNRCGSA-N 0 0 578.484 6.117 50 30 KKEARN O=C(OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 ZINC000001894737 551727307 /nfs/dbraw/zinc/72/73/07/551727307.db2.gz OQSLOQTTWVZVHA-UHFFFAOYSA-N 0 0 521.410 5.803 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCC3 ZINC000001896079 551728001 /nfs/dbraw/zinc/72/80/01/551728001.db2.gz SRDDZUSPHWNEJB-UHFFFAOYSA-N 0 0 581.741 5.777 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000001896210 551728102 /nfs/dbraw/zinc/72/81/02/551728102.db2.gz NSOVGPUWCNUQJX-UHFFFAOYSA-N 0 0 557.663 6.924 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)n1-c1ccccc1)CCC4)CCCC2 ZINC000001896201 551728111 /nfs/dbraw/zinc/72/81/11/551728111.db2.gz KDKFQNCJPNJDTO-UHFFFAOYSA-N 0 0 518.689 5.479 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)nc2sc(-c3ccccc3)cc2c1=O ZINC000001896225 551728116 /nfs/dbraw/zinc/72/81/16/551728116.db2.gz ILYDCLCXDGPFKH-UHFFFAOYSA-N 0 0 573.721 6.557 50 30 KKEARN COc1ccccc1CN1C(=O)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000001897959 551729213 /nfs/dbraw/zinc/72/92/13/551729213.db2.gz RSYWCJMNRAIKLE-RUZDIDTESA-N 0 0 554.487 5.431 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccccc1Br ZINC000001906356 551731886 /nfs/dbraw/zinc/73/18/86/551731886.db2.gz CAKGAEYPGYHSDD-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000001906484 551732118 /nfs/dbraw/zinc/73/21/18/551732118.db2.gz GINDUUBTCXMAJH-UHFFFAOYSA-N 0 0 572.587 7.514 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccc(OC)cc1 ZINC000001906528 551732250 /nfs/dbraw/zinc/73/22/50/551732250.db2.gz OEWWLKISJPTUJU-UHFFFAOYSA-N 0 0 546.505 6.225 50 30 KKEARN CC(C)(C)c1ccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3O)cc2)cc1 ZINC000001948651 551735169 /nfs/dbraw/zinc/73/51/69/551735169.db2.gz QSEZLJCWSXDFGP-ALQBTCKLSA-N 0 0 575.934 8.699 50 30 KKEARN O=C(Nc1ccc(/N=C/c2ccccc2)cc1Cl)c1ccc(C(=O)Nc2ccc(/N=C/c3ccccc3)cc2Cl)cc1 ZINC000001952994 551735370 /nfs/dbraw/zinc/73/53/70/551735370.db2.gz SBTJJLIVYPVFRV-DITNJDIQSA-N 0 0 591.498 8.999 50 30 KKEARN CCCCOc1ccc([C@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc42)N[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002030093 551736826 /nfs/dbraw/zinc/73/68/26/551736826.db2.gz KWRXYIZHROWWHE-FEERPNRMSA-N 0 0 533.668 8.103 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F ZINC000002050122 551738344 /nfs/dbraw/zinc/73/83/44/551738344.db2.gz SYCGZWUCXNFIRM-OAQYLSRUSA-N 0 0 533.494 5.571 50 30 KKEARN CCOC(=O)c1c(/N=C/c2ccc(C)cc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000002054206 551739236 /nfs/dbraw/zinc/73/92/36/551739236.db2.gz YJPCBKNINLUPAE-OKCVXOCRSA-N 0 0 501.604 7.046 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002055292 551739654 /nfs/dbraw/zinc/73/96/54/551739654.db2.gz FTGKDDATEWFQEL-OAQYLSRUSA-N 0 0 506.437 5.501 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002057986 551740530 /nfs/dbraw/zinc/74/05/30/551740530.db2.gz HXJPTLJZIVUXNL-BVGRYSDNSA-N 0 0 555.674 7.371 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002057993 551740600 /nfs/dbraw/zinc/74/06/00/551740600.db2.gz QCQXLAVSGJTQPS-KMRXNPHXSA-N 0 0 518.440 7.098 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002063195 551744170 /nfs/dbraw/zinc/74/41/70/551744170.db2.gz QYDFNLXLLUEMLC-DICHSLLOSA-N 0 0 553.655 5.825 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000002063269 551744401 /nfs/dbraw/zinc/74/44/01/551744401.db2.gz GUMYVKCPABEUPT-DJUQAAIZSA-N 0 0 544.047 6.332 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c2C#N)cc1OC ZINC000002063798 551744535 /nfs/dbraw/zinc/74/45/35/551744535.db2.gz ZEILCXXEWINQCX-UHFFFAOYSA-N 0 0 523.614 6.238 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ccccc43)c2C#N)cc1 ZINC000002063752 551744542 /nfs/dbraw/zinc/74/45/42/551744542.db2.gz GMEWRCYOUPIBTE-UHFFFAOYSA-N 0 0 501.611 7.180 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2C#N)cc1OC ZINC000002063796 551744549 /nfs/dbraw/zinc/74/45/49/551744549.db2.gz LVZXZEIRMQPCMT-UHFFFAOYSA-N 0 0 573.674 7.828 50 30 KKEARN CCCCOc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002064200 551744916 /nfs/dbraw/zinc/74/49/16/551744916.db2.gz ZWBRFLDKYBYWHC-UHFFFAOYSA-N 0 0 567.667 6.746 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)ccc1OCc1ccccc1 ZINC000002064080 551744974 /nfs/dbraw/zinc/74/49/74/551744974.db2.gz WARFGYWGSWJISN-UHFFFAOYSA-N 0 0 571.702 7.914 50 30 KKEARN Cc1cccc(C)c1/N=C1/N(C(=O)Oc2ccccc2)C(=S)N(c2ccccc2Cl)C12CCCCC2 ZINC000002066099 551745265 /nfs/dbraw/zinc/74/52/65/551745265.db2.gz YPMDKYCUDUSFSX-GKPLWNPISA-N 0 0 518.082 7.996 50 30 KKEARN Cc1cc(C)c(/C(Cl)=N/OC(=O)N2C(c3c(C)cc(C)cc3C)=NO[C@H]2C(Cl)(Cl)Cl)c(C)c1 ZINC000002066940 551745534 /nfs/dbraw/zinc/74/55/34/551745534.db2.gz UQLALFBIJNQQNZ-UEKFQANFSA-N 0 0 531.267 6.964 50 30 KKEARN COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1c(O)c(OC)cc(Br)c1Br ZINC000002071597 551747366 /nfs/dbraw/zinc/74/73/66/551747366.db2.gz XRJUFEFORZVHMC-KBKYJPHKSA-N 0 0 546.215 6.802 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Br)c1 ZINC000002072861 551747827 /nfs/dbraw/zinc/74/78/27/551747827.db2.gz KEEJRDPLVBUHEM-BCHFMIIMSA-N 0 0 540.454 5.781 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1Cl ZINC000002074001 551748525 /nfs/dbraw/zinc/74/85/25/551748525.db2.gz OZHOEESSFFYTHC-XHCCPWGMSA-N 0 0 510.030 6.062 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC ZINC000002073991 551748549 /nfs/dbraw/zinc/74/85/49/551748549.db2.gz UKQYDJKESNUENW-WTYVLRPYSA-N 0 0 505.611 5.417 50 30 KKEARN Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2cccc3ccccc32)cc1 ZINC000002074079 551748692 /nfs/dbraw/zinc/74/86/92/551748692.db2.gz YBTXBVKMSDSWPN-UHFFFAOYSA-N 0 0 535.698 6.939 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002075903 551749928 /nfs/dbraw/zinc/74/99/28/551749928.db2.gz YNHBSSIECRJSIX-PLNPHXOGSA-N 0 0 586.717 5.537 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000002075958 551750180 /nfs/dbraw/zinc/75/01/80/551750180.db2.gz FYXFHERTVHUJQD-OEAKJJBVSA-N 0 0 514.931 6.644 50 30 KKEARN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@]3(c4ccccc4)OC(=O)C(=O)C3=C2c2ccccc2)cc1 ZINC000002077696 551750356 /nfs/dbraw/zinc/75/03/56/551750356.db2.gz KBZAHDQQBSNDEP-KXQOOQHDSA-N 0 0 561.637 6.761 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3c4ccccc4cc4ccccc43)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002082299 551752440 /nfs/dbraw/zinc/75/24/40/551752440.db2.gz KJLJQHYWPMYJPY-XZGDKDFRSA-N 0 0 512.678 8.926 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nc2scc(-c3ccccc3)c2c1=O ZINC000002083479 551753154 /nfs/dbraw/zinc/75/31/54/551753154.db2.gz HUTOXTAWSGIMBY-UHFFFAOYSA-N 0 0 569.708 6.480 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc32)c(C#N)c1C ZINC000002084382 551754136 /nfs/dbraw/zinc/75/41/36/551754136.db2.gz YREHTZXWNNDCDP-UHFFFAOYSA-N 0 0 547.478 6.640 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(Br)c(Br)c1O ZINC000002084584 551754295 /nfs/dbraw/zinc/75/42/95/551754295.db2.gz SZMDEBCBDFUOEH-PFUKCMDESA-N 0 0 560.267 6.734 50 30 KKEARN C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000002085840 551755719 /nfs/dbraw/zinc/75/57/19/551755719.db2.gz GNFWAUYZCZZUGE-UHFFFAOYSA-N 0 0 569.266 5.418 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2cc(OCC)ccc2OC)cc1 ZINC000002086033 551756014 /nfs/dbraw/zinc/75/60/14/551756014.db2.gz IFDIHUHYYHYVGD-VWLOTQADSA-N 0 0 552.425 5.333 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000002086021 551756030 /nfs/dbraw/zinc/75/60/30/551756030.db2.gz BMEGZULUDXKQCQ-VWLOTQADSA-N 0 0 536.426 5.714 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)nc2sc(-c3ccccc3)cc2c1=O ZINC000002087879 551757312 /nfs/dbraw/zinc/75/73/12/551757312.db2.gz MRRVQYSULHIAOB-UHFFFAOYSA-N 0 0 565.742 6.159 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCC3)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000002087957 551757543 /nfs/dbraw/zinc/75/75/43/551757543.db2.gz UKIKWMINGOYCOF-UHFFFAOYSA-N 0 0 569.705 5.908 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Cl)N[C@@H](c1ccccc1)C[C@H]3C(F)(F)F)CCCCC2 ZINC000002088441 551758133 /nfs/dbraw/zinc/75/81/33/551758133.db2.gz KIGFTAGJKTXBQX-AEFFLSMTSA-N 0 0 519.980 6.651 50 30 KKEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1COc1ccc(Cl)cc1 ZINC000002092397 551759290 /nfs/dbraw/zinc/75/92/90/551759290.db2.gz SJHNZIAVHJRZAI-UHFFFAOYSA-N 0 0 539.068 7.414 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1-2 ZINC000002094634 551760703 /nfs/dbraw/zinc/76/07/03/551760703.db2.gz HCVOYVKGHFRKSL-DEOSSOPVSA-N 0 0 533.451 6.661 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000002095251 551761203 /nfs/dbraw/zinc/76/12/03/551761203.db2.gz OHJFWXHILBGPBW-HSZRJFAPSA-N 0 0 520.464 5.804 50 30 KKEARN O=C1CN(/N=C/c2c(Cl)cccc2Cl)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000002103083 551762504 /nfs/dbraw/zinc/76/25/04/551762504.db2.gz HPMXFJFLTDDSFA-LNNUABJDSA-N 0 0 503.389 5.194 50 30 biogenic KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000002105667 551763273 /nfs/dbraw/zinc/76/32/73/551763273.db2.gz GEEMMAFOQCFWSG-MHZLTWQESA-N 0 0 574.519 6.528 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3scc(-c4ccco4)c3c(=O)n1-c1ccccc1)CCCCC2 ZINC000002106463 551764055 /nfs/dbraw/zinc/76/40/55/551764055.db2.gz LWFZKPGUYCXAIN-UHFFFAOYSA-N 0 0 558.710 6.640 50 30 KKEARN N#Cc1c2c(sc1NC(=O)CSc1nc3scc(-c4cccs4)c3c(=O)n1-c1ccccc1)CCCCC2 ZINC000002106554 551764383 /nfs/dbraw/zinc/76/43/83/551764383.db2.gz PVECUQDZAKKCSS-UHFFFAOYSA-N 0 0 574.778 7.109 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n(C3CCCCC3)c(=O)c2c1C ZINC000002106886 551764484 /nfs/dbraw/zinc/76/44/84/551764484.db2.gz PACAEMRQBPFWTG-UHFFFAOYSA-N 0 0 512.726 6.123 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)c(Cl)c2)c1 ZINC000002107696 551764945 /nfs/dbraw/zinc/76/49/45/551764945.db2.gz YXQIRMHCTPBNCS-QHCPKHFHSA-N 0 0 529.992 5.557 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1 ZINC000002107763 551764999 /nfs/dbraw/zinc/76/49/99/551764999.db2.gz VOMRAAQMCPCKQK-MRXNPFEDSA-N 0 0 505.594 6.670 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000002108497 551766081 /nfs/dbraw/zinc/76/60/81/551766081.db2.gz ZSZFYDOEEYROEW-SANMLTNESA-N 0 0 528.020 6.234 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002109843 551766944 /nfs/dbraw/zinc/76/69/44/551766944.db2.gz TYEXOVCCGDDLER-FWUCURJTSA-N 0 0 550.014 7.463 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000002111057 551767059 /nfs/dbraw/zinc/76/70/59/551767059.db2.gz XAQNBLGXUKBVBG-MUUNZHRXSA-N 0 0 522.085 7.011 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)NCc1ccccc1 ZINC000002113599 551768441 /nfs/dbraw/zinc/76/84/41/551768441.db2.gz BCYNBMGSMBKKNO-UMSFTDKQSA-N 0 0 546.667 6.853 50 30 KKEARN C=CCOc1c(Br)cc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1OCC ZINC000002114074 551768864 /nfs/dbraw/zinc/76/88/64/551768864.db2.gz SRVNHMVAILAKIR-VWLOTQADSA-N 0 0 571.497 6.211 50 30 KKEARN CC(=O)Oc1c(Br)cc(/C=C2\N=C(SCc3ccccc3Cl)SC2=O)cc1Br ZINC000002114260 551768876 /nfs/dbraw/zinc/76/88/76/551768876.db2.gz GLVKTZRFDASLJD-PXNMLYILSA-N 0 0 561.704 6.694 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCc1ccccc1)N(C(=O)CC)c1ccccc1-2 ZINC000002114388 551769028 /nfs/dbraw/zinc/76/90/28/551769028.db2.gz OVTYKFDDESUFOV-MUUNZHRXSA-N 0 0 510.619 6.230 50 30 KKEARN O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000002142761 551775000 /nfs/dbraw/zinc/77/50/00/551775000.db2.gz HFDHANHOVOSPRK-KRWDZBQOSA-N 0 0 516.385 6.056 50 30 KKEARN O=[N+]([O-])c1ccc(-n2ncc(-c3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)no3)c2C(F)(F)F)cc1 ZINC000002142743 551775026 /nfs/dbraw/zinc/77/50/26/551775026.db2.gz YTIIORSJORMUMH-UHFFFAOYSA-N 0 0 537.298 6.554 50 30 KKEARN N#Cc1c(N)c(C(=O)c2ccc(C(=O)c3sc(Nc4ccccc4)c(C#N)c3N)cc2)sc1Nc1ccccc1 ZINC000002151102 551778141 /nfs/dbraw/zinc/77/81/41/551778141.db2.gz XUVCIWNWDKKRMG-UHFFFAOYSA-N 0 0 560.664 6.667 50 30 KKEARN Cc1ccc(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)cc1Cl ZINC000002151076 551778160 /nfs/dbraw/zinc/77/81/60/551778160.db2.gz PZBLTVSFXUYXFK-RUZDIDTESA-N 0 0 513.981 6.221 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151480 551778532 /nfs/dbraw/zinc/77/85/32/551778532.db2.gz KAHPUCJAJBYXPB-SANMLTNESA-N 0 0 559.460 6.130 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000002151455 551778568 /nfs/dbraw/zinc/77/85/68/551778568.db2.gz IDROGJXXBUIACS-NDEPHWFRSA-N 0 0 557.090 6.966 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1c1ccccc1C(F)(F)F ZINC000002151995 551778763 /nfs/dbraw/zinc/77/87/63/551778763.db2.gz APDMITAOKOUYKH-RUZDIDTESA-N 0 0 532.518 6.098 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3ccc(Br)cc3)C3=C2CCCC3=O)c1 ZINC000002152026 551779016 /nfs/dbraw/zinc/77/90/16/551779016.db2.gz CSLHDJNXYGVMTM-SANMLTNESA-N 0 0 559.460 6.130 50 30 KKEARN NC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1c1cccc(Br)c1 ZINC000002152076 551779029 /nfs/dbraw/zinc/77/90/29/551779029.db2.gz JVLFKDYVIKVQJH-XMMPIXPASA-N 0 0 578.304 6.876 50 30 KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc(OC)c1OC ZINC000002161523 551780970 /nfs/dbraw/zinc/78/09/70/551780970.db2.gz NIMMMPORSDGCMR-VJLQILQTSA-N 0 0 500.503 5.255 50 30 biogenic KKEARN Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000002163217 551781390 /nfs/dbraw/zinc/78/13/90/551781390.db2.gz IAULRVFXORTOGS-HYXNHMAPSA-N 0 0 502.039 7.453 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OC)C1=C(N=2)c2ccccc2CC1 ZINC000002178383 551784287 /nfs/dbraw/zinc/78/42/87/551784287.db2.gz VPLFCEKLSXRIFL-AZJUONQGSA-N 0 0 554.671 5.493 50 30 KKEARN Clc1ccc(COc2c(Br)cc(Br)cc2/C=N/n2cnnc2)c(Cl)c1 ZINC000002181625 551785065 /nfs/dbraw/zinc/78/50/65/551785065.db2.gz JZIRTDVOMPMDPR-TXNBCWFRSA-N 0 0 504.997 5.571 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCc3ccc(C#N)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002185288 551786432 /nfs/dbraw/zinc/78/64/32/551786432.db2.gz ASNYXTAOSXDXMB-ZJTZAHLKSA-N 0 0 588.060 5.041 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000002185568 551786571 /nfs/dbraw/zinc/78/65/71/551786571.db2.gz IQBDCZVYOUGHRP-KCWXNJEJSA-N 0 0 519.638 5.807 50 30 KKEARN O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000002188150 551788384 /nfs/dbraw/zinc/78/83/84/551788384.db2.gz QENPINPIPPNPQJ-BXZFMNKHSA-N 0 0 541.470 7.837 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)s1 ZINC000002188211 551788388 /nfs/dbraw/zinc/78/83/88/551788388.db2.gz QVSANJPVEZOZRV-QHCPKHFHSA-N 0 0 523.655 5.934 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000002188201 551788416 /nfs/dbraw/zinc/78/84/16/551788416.db2.gz HPANKKCXEYRRHY-RWPZCVJISA-N 0 0 529.647 5.281 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 ZINC000002188665 551788754 /nfs/dbraw/zinc/78/87/54/551788754.db2.gz RALMUFXPLRHUQZ-HXUWFJFHSA-N 0 0 501.808 5.365 50 30 KKEARN Cc1nnc(Sc2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2[N+](=O)[O-])s1 ZINC000002188712 551788756 /nfs/dbraw/zinc/78/87/56/551788756.db2.gz LOZAIAOUZRAGDG-SANMLTNESA-N 0 0 528.659 7.369 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1Cl ZINC000002189323 551788906 /nfs/dbraw/zinc/78/89/06/551788906.db2.gz XNRBNQPJDIKFAC-YTTGMZPUSA-N 0 0 542.050 8.529 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000002189163 551788923 /nfs/dbraw/zinc/78/89/23/551788923.db2.gz NCURFDGCBNWRDA-PMERELPUSA-N 0 0 597.369 10.342 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002190925 551789696 /nfs/dbraw/zinc/78/96/96/551789696.db2.gz XONFDYSQCBYZTJ-GKVSMKOHSA-N 0 0 543.707 5.432 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1Cl ZINC000002190929 551789742 /nfs/dbraw/zinc/78/97/42/551789742.db2.gz QAOHBKDSEIWEMP-NYHFZMIOSA-N 0 0 506.451 5.996 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002192996 551791277 /nfs/dbraw/zinc/79/12/77/551791277.db2.gz XJOHLEBQIZJWPC-NDEPHWFRSA-N 0 0 502.010 6.947 50 30 KKEARN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002193322 551791577 /nfs/dbraw/zinc/79/15/77/551791577.db2.gz WFVWDKNGPHUCQG-UHFFFAOYSA-N 0 0 513.678 6.632 50 30 KKEARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(Cl)c3N2)cc1 ZINC000002208859 551793862 /nfs/dbraw/zinc/79/38/62/551793862.db2.gz VUDTWVLQTZZCKS-SJLPKXTDSA-N 0 0 519.980 6.570 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000002215866 551794926 /nfs/dbraw/zinc/79/49/26/551794926.db2.gz WZOWWXLHDWNXGN-UHFFFAOYSA-N 0 0 529.794 5.468 50 30 KKEARN O=C(Oc1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1)c1ccccc1Cl ZINC000002222073 551796288 /nfs/dbraw/zinc/79/62/88/551796288.db2.gz YBTBMGXCJGGLNI-UHFFFAOYSA-N 0 0 520.932 5.664 50 30 KKEARN C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002250240 551801594 /nfs/dbraw/zinc/80/15/94/551801594.db2.gz DSQNROUNQKTNJP-UHFFFAOYSA-N 0 0 547.724 7.311 50 30 KKEARN N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Br)cc2)CCCC4)cc1 ZINC000002263087 551804013 /nfs/dbraw/zinc/80/40/13/551804013.db2.gz HTDRLPNGEIDGRD-UHFFFAOYSA-N 0 0 508.466 6.252 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000002272964 551805308 /nfs/dbraw/zinc/80/53/08/551805308.db2.gz WNSNAVRIAZQGCH-OWWCKCFISA-N 0 0 512.009 5.340 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c1Cl)CCCC2 ZINC000002285085 551806840 /nfs/dbraw/zinc/80/68/40/551806840.db2.gz JKIHTAARLIYAKY-UHFFFAOYSA-N 0 0 501.921 6.133 50 30 KKEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000002302366 551808107 /nfs/dbraw/zinc/80/81/07/551808107.db2.gz VHOLGLZOKTVTEH-RDRPBHBLSA-N 0 0 512.075 6.424 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N3)CCCC2 ZINC000002307390 551808815 /nfs/dbraw/zinc/80/88/15/551808815.db2.gz DGTKNMRAEYNLCI-QFBILLFUSA-N 0 0 505.953 6.261 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000002307194 551808827 /nfs/dbraw/zinc/80/88/27/551808827.db2.gz XXPVSTVFAJDNET-OSWZSTQVSA-N 0 0 523.683 7.067 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2nccs2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000002310101 551809038 /nfs/dbraw/zinc/80/90/38/551809038.db2.gz GLBBQQQGRGKOKY-UHFFFAOYSA-N 0 0 534.066 6.330 50 30 KKEARN O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F ZINC000002273790 552086079 /nfs/dbraw/zinc/08/60/79/552086079.db2.gz BQQZYBWBYUCVRB-LJQANCHMSA-N 0 0 524.325 7.775 50 30 KKEARN COc1ccc(C2C3=C(C[C@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1CO ZINC000002293861 552088841 /nfs/dbraw/zinc/08/88/41/552088841.db2.gz NVZJFIYCLHWTBG-DNQXCXABSA-N 0 0 506.598 6.103 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002336649 552097047 /nfs/dbraw/zinc/09/70/47/552097047.db2.gz FLZOGKAAHVTOLP-OCKRADGESA-N 0 0 542.679 7.885 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000002349088 552099706 /nfs/dbraw/zinc/09/97/06/552099706.db2.gz MRKVSDLORRXLNI-XMMPIXPASA-N 0 0 525.354 5.710 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c1 ZINC000002374718 552106130 /nfs/dbraw/zinc/10/61/30/552106130.db2.gz RGNITUFFHINLJA-XYGWBWBKSA-N 0 0 513.644 6.407 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002375945 552106385 /nfs/dbraw/zinc/10/63/85/552106385.db2.gz DINKQAWCCGGCRH-UHFFFAOYSA-N 0 0 550.124 6.637 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1c(F)cc(F)cc1Br)CCCC3 ZINC000002396288 552110198 /nfs/dbraw/zinc/11/01/98/552110198.db2.gz DVDIISYNXPGQFA-UHFFFAOYSA-N 0 0 526.428 5.294 50 30 KKEARN COc1ccc(CN2C(=O)[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002397754 552110639 /nfs/dbraw/zinc/11/06/39/552110639.db2.gz RAGRNIKIVXKYDR-MUUNZHRXSA-N 0 0 544.570 5.199 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5ccc(Cl)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002404177 552111988 /nfs/dbraw/zinc/11/19/88/552111988.db2.gz VQOYGHLANMOQRV-DEOSSOPVSA-N 0 0 547.011 5.541 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(COc5ccc6ccccc6c5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002404065 552111990 /nfs/dbraw/zinc/11/19/90/552111990.db2.gz HBSBYUWJORDNSO-MHZLTWQESA-N 0 0 532.600 6.033 50 30 KKEARN COc1ccc([C@H]2c3c4nc(COc5ccccc5C)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002406965 552112552 /nfs/dbraw/zinc/11/25/52/552112552.db2.gz VJSPGFZJINBPKB-RUZDIDTESA-N 0 0 526.593 5.196 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O ZINC000002411616 552113734 /nfs/dbraw/zinc/11/37/34/552113734.db2.gz UXHMKALOGOBYFQ-KSEXSDGBSA-N 0 0 511.324 5.310 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5cc6ccccc6cc5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410856 552113736 /nfs/dbraw/zinc/11/37/36/552113736.db2.gz QQDWCNITJCPEPN-SANMLTNESA-N 0 0 548.599 5.835 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6c5O)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002411187 552113790 /nfs/dbraw/zinc/11/37/90/552113790.db2.gz CGRSYLQEJOHFMN-XMMPIXPASA-N 0 0 518.573 5.826 50 30 KKEARN C=CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002420721 552115590 /nfs/dbraw/zinc/11/55/90/552115590.db2.gz IZORWQNOHVDCQZ-HXUWFJFHSA-N 0 0 509.381 5.635 50 30 KKEARN COc1ccc([C@H]2c3c4nc(-c5ccccc5Cl)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002431856 552118004 /nfs/dbraw/zinc/11/80/04/552118004.db2.gz KMARLRBNEKJHOC-JOCHJYFZSA-N 0 0 516.985 5.629 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(COc4cccc5ccccc54)nc3c1[C@H]2c1ccccc1 ZINC000002440969 552119748 /nfs/dbraw/zinc/11/97/48/552119748.db2.gz ZIUHMVIDZUHMBB-SANMLTNESA-N 0 0 502.574 6.024 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccc(C)cc1 ZINC000002453987 552124316 /nfs/dbraw/zinc/12/43/16/552124316.db2.gz XLIBKEACUXNIGK-UHFFFAOYSA-N 0 0 500.468 6.208 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002494988 552124676 /nfs/dbraw/zinc/12/46/76/552124676.db2.gz SJODODLOEVOIRU-XIFFEERXSA-N 0 0 551.517 9.459 50 30 KKEARN COc1cc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002529686 552127324 /nfs/dbraw/zinc/12/73/24/552127324.db2.gz VINJTISQCSTTBR-BRJLIKDPSA-N 0 0 513.786 5.187 50 30 KKEARN CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000002531779 552127615 /nfs/dbraw/zinc/12/76/15/552127615.db2.gz YSSBPZPTHMBJBA-MFKUBSTISA-N 0 0 504.450 5.198 50 30 KKEARN CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000002542855 552128379 /nfs/dbraw/zinc/12/83/79/552128379.db2.gz ARKVHCZSGUSHKQ-VULFUBBASA-N 0 0 532.847 6.041 50 30 KKEARN Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc(Cl)c1 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C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000002680145 552155043 /nfs/dbraw/zinc/15/50/43/552155043.db2.gz CCXPYFRSUKQHQC-UHFFFAOYSA-N 0 0 550.027 7.022 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000002680328 552155248 /nfs/dbraw/zinc/15/52/48/552155248.db2.gz DLFUZGOJMQNGBO-UHFFFAOYSA-N 0 0 543.689 7.141 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccc(C)cc2c1=O ZINC000002727146 552167356 /nfs/dbraw/zinc/16/73/56/552167356.db2.gz CNPJORRGCZZAMZ-GDJIYFAZSA-N 0 0 564.103 6.413 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002727134 552167393 /nfs/dbraw/zinc/16/73/93/552167393.db2.gz VIVPMGSKCXLHME-AFMDSPMNSA-N 0 0 509.986 5.010 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 ZINC000002727130 552167424 /nfs/dbraw/zinc/16/74/24/552167424.db2.gz KLCSSTSCRBIOQM-HSZRJFAPSA-N 0 0 545.554 5.783 50 30 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CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C)cc(COc2ccc(Cl)cc2C)c1C ZINC000002747797 552174771 /nfs/dbraw/zinc/17/47/71/552174771.db2.gz GIJPFVUGBOSJAU-MUUNZHRXSA-N 0 0 522.085 7.011 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)n1)CCCCC2 ZINC000002749692 552175368 /nfs/dbraw/zinc/17/53/68/552175368.db2.gz CVSLQEJHWYLADC-UHFFFAOYSA-N 0 0 515.664 5.990 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F ZINC000002757310 552178559 /nfs/dbraw/zinc/17/85/59/552178559.db2.gz OUQHGTNMXBTKOA-IQGLISFBSA-N 0 0 500.035 6.137 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1Br ZINC000002757363 552178601 /nfs/dbraw/zinc/17/86/01/552178601.db2.gz OOIYOTHDXROHHZ-PIIWDFAUSA-N 0 0 584.938 7.349 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002757433 552178801 /nfs/dbraw/zinc/17/88/01/552178801.db2.gz UEAVJGVLWKYQJG-MYUZEXMDSA-N 0 0 526.460 6.849 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757627 552179214 /nfs/dbraw/zinc/17/92/14/552179214.db2.gz DQTOFVYADMSLQO-PBBNMVCDSA-N 0 0 566.912 7.794 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(OC)c2OC)cc1 ZINC000002757716 552179223 /nfs/dbraw/zinc/17/92/23/552179223.db2.gz YJEVDXZTJKHYER-GTYOFVGBSA-N 0 0 569.654 5.696 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002757626 552179227 /nfs/dbraw/zinc/17/92/27/552179227.db2.gz DQTOFVYADMSLQO-ONOMSOESSA-N 0 0 566.912 7.794 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002757798 552179391 /nfs/dbraw/zinc/17/93/91/552179391.db2.gz NQHXBWQCXKCLJS-FQRUVTKNSA-N 0 0 540.454 5.399 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002757884 552179446 /nfs/dbraw/zinc/17/94/46/552179446.db2.gz 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/nfs/dbraw/zinc/18/06/04/552180604.db2.gz SVCBOIXULVRIHT-DFXYEROKSA-N 0 0 576.476 6.870 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002758826 552181010 /nfs/dbraw/zinc/18/10/10/552181010.db2.gz BWEZQHULXIRVPC-LYZGTLIUSA-N 0 0 535.662 5.278 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000002759579 552181934 /nfs/dbraw/zinc/18/19/34/552181934.db2.gz ZUKDFYCQTQAUMQ-IBGZPJMESA-N 0 0 551.508 5.747 50 30 biogenic KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1coc2ccccc2c1=O ZINC000002762227 552182703 /nfs/dbraw/zinc/18/27/03/552182703.db2.gz ZTYLHPKCGGGYNS-MYUZEXMDSA-N 0 0 550.076 6.104 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1c(F)cccc1Cl ZINC000002762210 552182710 /nfs/dbraw/zinc/18/27/10/552182710.db2.gz ICQVACJKLXLBOP-MQNRADLISA-N 0 0 504.385 5.684 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000002762160 552182720 /nfs/dbraw/zinc/18/27/20/552182720.db2.gz KNATULNGRZAFND-XHCCPWGMSA-N 0 0 567.704 5.379 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1 ZINC000002762251 552182997 /nfs/dbraw/zinc/18/29/97/552182997.db2.gz OWWUILAEIXHYSL-CJAUYULYSA-N 0 0 500.035 6.137 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccc(Cl)c1 ZINC000002765664 552183308 /nfs/dbraw/zinc/18/33/08/552183308.db2.gz WDEIAFJCLUUSGE-BCHFMIIMSA-N 0 0 512.071 6.007 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002765324 552183325 /nfs/dbraw/zinc/18/33/25/552183325.db2.gz XYCXWJNVFBNBMV-MYUZEXMDSA-N 0 0 521.610 5.036 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000002771558 552184520 /nfs/dbraw/zinc/18/45/20/552184520.db2.gz LNYUBOYYWHATKN-QYBDOPJKSA-N 0 0 541.666 5.104 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000002771868 552184675 /nfs/dbraw/zinc/18/46/75/552184675.db2.gz AWDJKFZLZRQYAR-NGQVCNFZSA-N 0 0 509.602 5.679 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000002771807 552184713 /nfs/dbraw/zinc/18/47/13/552184713.db2.gz CPVXKOWENCHZRH-CCLHPLFOSA-N 0 0 507.652 5.741 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002771983 552184987 /nfs/dbraw/zinc/18/49/87/552184987.db2.gz HRTXCNQQVJLUSI-IDISGSTGSA-N 0 0 535.662 5.140 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000002772153 552185292 /nfs/dbraw/zinc/18/52/92/552185292.db2.gz RJTKRJITQVXRNN-VKGTZQKMSA-N 0 0 521.610 5.036 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000002772051 552185337 /nfs/dbraw/zinc/18/53/37/552185337.db2.gz ZRISFKYOJYQZAQ-HMILPKGGSA-N 0 0 545.657 5.460 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000002772179 552185427 /nfs/dbraw/zinc/18/54/27/552185427.db2.gz AUVQOHGWBRWNNM-WTYVLRPYSA-N 0 0 545.657 5.749 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000002774609 552186205 /nfs/dbraw/zinc/18/62/05/552186205.db2.gz QUCWCBKAUKTGGF-YUDQIZAISA-N 0 0 528.048 6.496 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000002775348 552186499 /nfs/dbraw/zinc/18/64/99/552186499.db2.gz QHTGXKJDHVCXHJ-MUAVYFROSA-N 0 0 503.639 6.189 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002775861 552187004 /nfs/dbraw/zinc/18/70/04/552187004.db2.gz HVHJXJOPCWBFIH-RXFWQSSRSA-N 0 0 522.623 5.261 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002776498 552187402 /nfs/dbraw/zinc/18/74/02/552187402.db2.gz RBPYSUXUCHVSBR-CRICUBBOSA-N 0 0 556.453 5.487 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000002776495 552187454 /nfs/dbraw/zinc/18/74/54/552187454.db2.gz RBPYSUXUCHVSBR-GKVSMKOHSA-N 0 0 556.453 5.487 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 ZINC000002777365 552187759 /nfs/dbraw/zinc/18/77/59/552187759.db2.gz TXKDZMGXNMFVQN-GDLZYMKVSA-N 0 0 517.666 6.367 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002779799 552187982 /nfs/dbraw/zinc/18/79/82/552187982.db2.gz DFGFXQXZMGIQRP-JIPXPUAJSA-N 0 0 507.652 5.362 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002779919 552188257 /nfs/dbraw/zinc/18/82/57/552188257.db2.gz WTGKVODIAWBCMT-KPURRNSFSA-N 0 0 514.021 6.324 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C ZINC000002783233 552189024 /nfs/dbraw/zinc/18/90/24/552189024.db2.gz MCHJVDNCLIALNJ-AREMUKBSSA-N 0 0 524.455 6.176 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OCC)c1 ZINC000002784279 552189496 /nfs/dbraw/zinc/18/94/96/552189496.db2.gz MFDPSUATWPIBIO-HFJWLAOPSA-N 0 0 526.029 5.768 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002788511 552190981 /nfs/dbraw/zinc/19/09/81/552190981.db2.gz VNYHQUVGWFGFMS-HFJWLAOPSA-N 0 0 530.448 6.325 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002788555 552190988 /nfs/dbraw/zinc/19/09/88/552190988.db2.gz KVTDFZGOKWRUTL-MRDQGFSESA-N 0 0 546.447 5.562 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000002788549 552190989 /nfs/dbraw/zinc/19/09/89/552190989.db2.gz YYJNCXIYHAURDF-MMTVBGGISA-N 0 0 505.586 5.690 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002788621 552191141 /nfs/dbraw/zinc/19/11/41/552191141.db2.gz QSLLQORRIJHYMV-CRICUBBOSA-N 0 0 530.448 6.325 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002788625 552191193 /nfs/dbraw/zinc/19/11/93/552191193.db2.gz QWBFAAGXYQRXOV-FQRUVTKNSA-N 0 0 522.623 5.261 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c(C#N)c1-c1ccc(C)cc1 ZINC000002789376 552191617 /nfs/dbraw/zinc/19/16/17/552191617.db2.gz ZDGGAKAFCXIHKG-UHFFFAOYSA-N 0 0 503.583 7.100 50 30 KKEARN CCOc1cccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccc(OC)cc4)c3C#N)c3ccccc3n2)c1 ZINC000002789279 552191692 /nfs/dbraw/zinc/19/16/92/552191692.db2.gz DBQYKPVRZUTINF-UHFFFAOYSA-N 0 0 519.626 7.470 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000002792840 552191909 /nfs/dbraw/zinc/19/19/09/552191909.db2.gz NPWUEJYBQISPDZ-CMJOXMDJSA-N 0 0 534.447 5.591 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F ZINC000002792838 552191910 /nfs/dbraw/zinc/19/19/10/552191910.db2.gz NPWUEJYBQISPDZ-WNSKOXEYSA-N 0 0 534.447 5.591 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000002792812 552191916 /nfs/dbraw/zinc/19/19/16/552191916.db2.gz BIYAYBIXHBZDLP-JHOBJCJYSA-N 0 0 527.592 5.818 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000002792865 552191941 /nfs/dbraw/zinc/19/19/41/552191941.db2.gz IGQAMDKJPLQAEO-DNOBIOAJSA-N 0 0 554.456 6.444 50 30 KKEARN Cc1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)c(C#N)c1-c1ccc(C(C)C)cc1 ZINC000002794833 552192164 /nfs/dbraw/zinc/19/21/64/552192164.db2.gz AOMLKRGBNWLMLQ-UHFFFAOYSA-N 0 0 531.637 7.915 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002801491 552194638 /nfs/dbraw/zinc/19/46/38/552194638.db2.gz QZHHTDUPWLMKRW-CCLHPLFOSA-N 0 0 510.461 7.231 50 30 KKEARN CCN(CC)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(N(CC)CC)cc4)c(C)c3)cc2C)cc1 ZINC000002831975 552197407 /nfs/dbraw/zinc/19/74/07/552197407.db2.gz ADCFIDZLHSOQKQ-USKKBRKXSA-N 0 0 530.760 9.164 50 30 KKEARN O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000002842581 552199644 /nfs/dbraw/zinc/19/96/44/552199644.db2.gz GZLUFFMKRMXBSX-VJTPSNAYSA-N 0 0 522.608 7.692 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cc(OC)c(OC)cc2OC)cc1 ZINC000002844239 552200187 /nfs/dbraw/zinc/20/01/87/552200187.db2.gz OUTPTHYTWLWKMT-WRGVRERRSA-N 0 0 559.615 5.419 50 30 KKEARN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000002851352 552201073 /nfs/dbraw/zinc/20/10/73/552201073.db2.gz PQTKJQXKPCDZQD-UHFFFAOYSA-N 0 0 525.889 6.858 50 30 KKEARN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002858315 552202957 /nfs/dbraw/zinc/20/29/57/552202957.db2.gz YAPCUMQFTILMSK-UHFFFAOYSA-N 0 0 507.685 5.709 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002863498 552204905 /nfs/dbraw/zinc/20/49/05/552204905.db2.gz BOBMWIWKXWBDMO-NDEPHWFRSA-N 0 0 560.569 5.050 50 30 KKEARN C=CCn1c(CCCc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000002868666 552206428 /nfs/dbraw/zinc/20/64/28/552206428.db2.gz BZFZQSRCCYXUFY-UHFFFAOYSA-N 0 0 501.450 5.141 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000002883264 552208981 /nfs/dbraw/zinc/20/89/81/552208981.db2.gz UQHBKEKIVCEODL-SMSORMJASA-N 0 0 543.063 6.666 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000002889170 552210800 /nfs/dbraw/zinc/21/08/00/552210800.db2.gz WGVMFPFQNRPXCF-CQSZACIVSA-N 0 0 509.682 5.018 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1 ZINC000002923158 552221900 /nfs/dbraw/zinc/22/19/00/552221900.db2.gz DKDMMELIASVPAY-KMRXNPHXSA-N 0 0 506.042 6.586 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000002925152 552222491 /nfs/dbraw/zinc/22/24/91/552222491.db2.gz UMHJYYJRRFWNON-HFJWLAOPSA-N 0 0 570.480 5.877 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000002925016 552222603 /nfs/dbraw/zinc/22/26/03/552222603.db2.gz UENIFCVIKGRYMQ-RCRUUEGKSA-N 0 0 564.078 6.511 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002925200 552222813 /nfs/dbraw/zinc/22/28/13/552222813.db2.gz LFXSNJLWQWCDRC-IVCQMTBJSA-N 0 0 524.957 5.292 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002925329 552222824 /nfs/dbraw/zinc/22/28/24/552222824.db2.gz UURWFLLNHCITPQ-CLOONOSVSA-N 0 0 510.974 5.190 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002926096 552223957 /nfs/dbraw/zinc/22/39/57/552223957.db2.gz KEOQLGGCWKLDDA-CCLHPLFOSA-N 0 0 510.461 7.231 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000002926192 552224150 /nfs/dbraw/zinc/22/41/50/552224150.db2.gz XTUMXOQPPWQDGX-MHECFPHRSA-N 0 0 530.846 5.654 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002927167 552224837 /nfs/dbraw/zinc/22/48/37/552224837.db2.gz YZGUKALYVHZALZ-PPHZAIPVSA-N 0 0 510.461 7.231 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000002927412 552224857 /nfs/dbraw/zinc/22/48/57/552224857.db2.gz NIGBWNJXNMUPDJ-QXNWPYRLSA-N 0 0 539.628 5.688 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000002927165 552224881 /nfs/dbraw/zinc/22/48/81/552224881.db2.gz YZGUKALYVHZALZ-UZTOHYMASA-N 0 0 510.461 7.231 50 30 KKEARN C=CCn1c(SCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)nnc1-c1ccncc1 ZINC000002951772 552229422 /nfs/dbraw/zinc/22/94/22/552229422.db2.gz DMYCYXPYRNMSNV-SSEXGKCCSA-N 0 0 509.679 6.140 50 30 KKEARN Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3cc(C)cc(C)c3)c3cc(Br)ccc32)cc1 ZINC000003043949 552274669 /nfs/dbraw/zinc/27/46/69/552274669.db2.gz NPCQQJRUXGRUDA-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000003043992 552274876 /nfs/dbraw/zinc/27/48/76/552274876.db2.gz LWGSNMMGCBTDJK-SLMZUGIISA-N 0 0 527.875 5.902 50 30 KKEARN Cc1cc(C)cc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 ZINC000003043995 552274879 /nfs/dbraw/zinc/27/48/79/552274879.db2.gz UGFGNKBXJDVNMS-SLMZUGIISA-N 0 0 527.875 5.957 50 30 KKEARN Cc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(Br)cc21 ZINC000003044109 552275113 /nfs/dbraw/zinc/27/51/13/552275113.db2.gz GAEKWZMSVVYAOT-HFTWOUSFSA-N 0 0 531.838 5.788 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N/N=C2/c3cc(Br)ccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000003044241 552275135 /nfs/dbraw/zinc/27/51/35/552275135.db2.gz HYMMOILNUSMNDW-KRUMMXJUSA-N 0 0 565.493 5.480 50 30 KKEARN CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 ZINC000003044320 552275423 /nfs/dbraw/zinc/27/54/23/552275423.db2.gz BMCREAXCYMSTTO-SLMZUGIISA-N 0 0 511.420 5.388 50 30 KKEARN Cn1nc(-c2ccccc2)c(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Oc1cccc(C(F)(F)F)c1 ZINC000003049141 552276610 /nfs/dbraw/zinc/27/66/10/552276610.db2.gz ALYPKRDLBGLKPW-UHFFFAOYSA-N 0 0 588.426 8.293 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000003066548 552285056 /nfs/dbraw/zinc/28/50/56/552285056.db2.gz RJRQTYYLHHIRDE-OPEKNORGSA-N 0 0 516.189 6.793 50 30 KKEARN COc1cc(Br)c(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000003073693 552285381 /nfs/dbraw/zinc/28/53/81/552285381.db2.gz MCGSYAHIKRKUBB-QHCPKHFHSA-N 0 0 532.475 5.946 50 30 KKEARN COc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3C(=O)Oc3ccc(/C=N/c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000003084599 552285850 /nfs/dbraw/zinc/28/58/50/552285850.db2.gz JQZVTBOMFJLCCO-DNJOOXRZSA-N 0 0 584.628 7.643 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1cc(Cc2ccc(O)c(/N=C/c3cc(Br)ccc3O)c2)ccc1O ZINC000003086793 552286051 /nfs/dbraw/zinc/28/60/51/552286051.db2.gz OWXZKPSBRJJVSY-WCZMLVOGSA-N 0 0 596.275 7.126 50 30 KKEARN CCCCCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000003084907 552286055 /nfs/dbraw/zinc/28/60/55/552286055.db2.gz XJIOIFORLCTOKI-PJYWLYPCSA-N 0 0 545.315 6.252 50 30 KKEARN Cc1cc2nc(-c3cccc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c3)oc2cc1C ZINC000003092138 552286986 /nfs/dbraw/zinc/28/69/86/552286986.db2.gz GAMFZVWRAGZAPS-MUFRIFMGSA-N 0 0 508.490 7.471 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Br)cc3)cc2s1)NCCc1ccccc1 ZINC000003094826 552287243 /nfs/dbraw/zinc/28/72/43/552287243.db2.gz IDLIBNNSFJZPPT-JFLMPSFJSA-N 0 0 510.482 6.260 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc43)cc2s1)NCCc1ccccc1 ZINC000003097159 552287487 /nfs/dbraw/zinc/28/74/87/552287487.db2.gz MZHBJOOSQMDYEL-QXUDOOCXSA-N 0 0 531.706 7.804 50 30 KKEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098510 552287944 /nfs/dbraw/zinc/28/79/44/552287944.db2.gz QSHQQKVEPAJLGG-JIPXPUAJSA-N 0 0 520.467 6.687 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000003098538 552288003 /nfs/dbraw/zinc/28/80/03/552288003.db2.gz POXKYUMEUNDDIR-QDPGVEIFSA-N 0 0 528.446 6.554 50 30 KKEARN O=C(Oc1cccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003113317 552289897 /nfs/dbraw/zinc/28/98/97/552289897.db2.gz HOYJSYYDCUXHOB-LQKURTRISA-N 0 0 508.446 6.281 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5ccc(Cl)cc5Cl)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003113722 552290009 /nfs/dbraw/zinc/29/00/09/552290009.db2.gz XGKBKXUGLNDIHM-IPPBACCNSA-N 0 0 549.326 8.161 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1)c1ccc(Br)cc1 ZINC000003116405 552290346 /nfs/dbraw/zinc/29/03/46/552290346.db2.gz VFDJPUBQVDECKO-IBBHUPRXSA-N 0 0 566.238 8.534 50 30 KKEARN CCOC(=O)c1cnn(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1C(F)(F)F ZINC000003120295 552290850 /nfs/dbraw/zinc/29/08/50/552290850.db2.gz UJRHONKKTXNDJX-UHFFFAOYSA-N 0 0 575.409 5.906 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003134479 552293025 /nfs/dbraw/zinc/29/30/25/552293025.db2.gz SKWXBDPCPXRMPC-UHFFFAOYSA-N 0 0 508.340 6.205 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000003142066 552294654 /nfs/dbraw/zinc/29/46/54/552294654.db2.gz JCDPQXRYKDYZGX-VWJSQJICSA-N 0 0 535.358 7.919 50 30 KKEARN O=[N+]([O-])c1ccc(Oc2cccc(/C=N/c3ccc4oc(-c5cccc(Cl)c5)nc4c3)c2)c([N+](=O)[O-])c1 ZINC000003143697 552296172 /nfs/dbraw/zinc/29/61/72/552296172.db2.gz FEGQGGDQSZHTTD-RWPZCVJISA-N 0 0 514.881 7.508 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3cc(-c4ccc(/N=C/c5ccc([N+](=O)[O-])cc5)cc4)ncn3)cc2)cc1 ZINC000003144494 552296966 /nfs/dbraw/zinc/29/69/66/552296966.db2.gz XLLAYLWTXJRCQS-QCPYDNSOSA-N 0 0 528.528 7.128 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003169825 552299072 /nfs/dbraw/zinc/29/90/72/552299072.db2.gz IXDRVGQOGKRPBB-UHFFFAOYSA-N 0 0 568.418 7.799 50 30 KKEARN CC1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000003181727 552300623 /nfs/dbraw/zinc/30/06/23/552300623.db2.gz VCMCSEBRIHMLTE-ZCLHCXAKSA-N 0 0 572.712 8.858 50 30 KKEARN Brc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1 ZINC000003192750 552302683 /nfs/dbraw/zinc/30/26/83/552302683.db2.gz APRZIUVHMWMXOT-YSURURNPSA-N 0 0 500.146 6.499 50 30 KKEARN N#Cc1c(Nc2nc3ccccc3nc2N2CCN(c3ccccc3)CC2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000003197018 552303276 /nfs/dbraw/zinc/30/32/76/552303276.db2.gz OGWDNSFAAPTPEC-UHFFFAOYSA-N 0 0 548.650 7.499 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=O)(Nc1ccc(C)cc1Br)N(C)C(c1ccc(F)cc1)=N2 ZINC000003199140 552303777 /nfs/dbraw/zinc/30/37/77/552303777.db2.gz PLZSZAMEYXTNFC-YTTGMZPUSA-N 0 0 515.327 5.269 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003216875 552307989 /nfs/dbraw/zinc/30/79/89/552307989.db2.gz OCMVNRUTRIDRKV-UHFFFAOYSA-N 0 0 527.562 5.072 50 30 KKEARN FC(F)Sc1ccc(NC(=NC2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1 ZINC000003216789 552308074 /nfs/dbraw/zinc/30/80/74/552308074.db2.gz MLPLZGDJCRNBDO-UHFFFAOYSA-N 0 0 507.695 6.679 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1 ZINC000003251734 552322484 /nfs/dbraw/zinc/32/24/84/552322484.db2.gz IDBRMCNUYVHALE-UHFFFAOYSA-N 0 0 558.603 6.567 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 ZINC000003253885 552323687 /nfs/dbraw/zinc/32/36/87/552323687.db2.gz SHVFJRQVRCRFEY-GOSISDBHSA-N 0 0 547.460 5.409 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003253892 552323718 /nfs/dbraw/zinc/32/37/18/552323718.db2.gz ONHBLPJBNQGUSC-UHFFFAOYSA-N 0 0 598.848 5.732 50 30 KKEARN CCCCCCCCn1c(=O)c2c(nc1SCC(=O)N1c3ccccc3C[C@H]1C)sc1c2CC[C@@H](C)C1 ZINC000003259516 552325329 /nfs/dbraw/zinc/32/53/29/552325329.db2.gz NQJSBNKKRKSFGQ-NHCUHLMSSA-N 0 0 537.795 7.013 50 30 KKEARN CCCCCCCCn1c(=O)c2c(nc1SCC(=O)N1c3ccccc3C[C@@H]1C)sc1c2CC[C@H](C)C1 ZINC000003259518 552325331 /nfs/dbraw/zinc/32/53/31/552325331.db2.gz NQJSBNKKRKSFGQ-SFTDATJTSA-N 0 0 537.795 7.013 50 30 KKEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000003260211 552326042 /nfs/dbraw/zinc/32/60/42/552326042.db2.gz YLLWYQFQELNLGP-UHFFFAOYSA-N 0 0 534.450 5.187 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)sc1c2CCCC1 ZINC000003264869 552328173 /nfs/dbraw/zinc/32/81/73/552328173.db2.gz QUFDPPBDXGMHOT-UHFFFAOYSA-N 0 0 564.655 5.109 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 ZINC000003266112 552328860 /nfs/dbraw/zinc/32/88/60/552328860.db2.gz FWIUJFRZMGGREJ-UHFFFAOYSA-N 0 0 568.749 6.965 50 30 KKEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003267649 552330357 /nfs/dbraw/zinc/33/03/57/552330357.db2.gz KUOPDSIEVXZIML-UHFFFAOYSA-N 0 0 501.555 6.061 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003267697 552330566 /nfs/dbraw/zinc/33/05/66/552330566.db2.gz HOEPZDRWVIHPMY-MRXNPFEDSA-N 0 0 582.589 6.914 50 30 KKEARN CN=C(Nc1sc(C(=O)OC)cc1[P@@](=O)(Nc1ccc(C)c(Cl)c1)N1CCOCC1)c1ccccc1 ZINC000003268424 552330803 /nfs/dbraw/zinc/33/08/03/552330803.db2.gz SEQOPQNBLQLHAO-PGUFJCEWSA-N 0 0 547.017 5.248 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003277680 552334551 /nfs/dbraw/zinc/33/45/51/552334551.db2.gz TVYYXTNYVQYFFI-SFHVURJKSA-N 0 0 533.744 6.651 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003282207 552336383 /nfs/dbraw/zinc/33/63/83/552336383.db2.gz RFPDHCLIGWAKHA-RUZDIDTESA-N 0 0 585.095 8.573 50 30 KKEARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(=O)Nc3sc4c(c3C#N)CCCC4)cc21 ZINC000003285392 552337401 /nfs/dbraw/zinc/33/74/01/552337401.db2.gz VSNHITBWSFZWRU-UHFFFAOYSA-N 0 0 527.646 6.004 50 30 KKEARN Cc1cc(Br)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(Br)c1 ZINC000003287699 552338470 /nfs/dbraw/zinc/33/84/70/552338470.db2.gz OBXOBYXWLHZZSV-UHFFFAOYSA-N 0 0 560.267 6.338 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccc3ccccc32)c1 ZINC000003289157 552339541 /nfs/dbraw/zinc/33/95/41/552339541.db2.gz ZIAHDSMWIWJKNX-UHFFFAOYSA-N 0 0 507.995 6.102 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1Cl ZINC000003289568 552339748 /nfs/dbraw/zinc/33/97/48/552339748.db2.gz ZMMDKJZRDSHURL-UHFFFAOYSA-N 0 0 503.407 5.830 50 30 KKEARN CCCCCCCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccc(Cl)cc1 ZINC000003303061 552347293 /nfs/dbraw/zinc/34/72/93/552347293.db2.gz IVYBHMVGXWMBBH-UHFFFAOYSA-N 0 0 517.051 7.026 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000003306519 552349140 /nfs/dbraw/zinc/34/91/40/552349140.db2.gz VITWGXMTBIJLLU-UHFFFAOYSA-N 0 0 550.523 5.404 50 30 KKEARN COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1Cl ZINC000003307501 552349478 /nfs/dbraw/zinc/34/94/78/552349478.db2.gz PAIRPHWRNIMCBG-UHFFFAOYSA-N 0 0 510.999 5.535 50 30 KKEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000003310477 552351448 /nfs/dbraw/zinc/35/14/48/552351448.db2.gz TYJKYUYRYZNQSL-ZHACJKMWSA-N 0 0 529.449 5.554 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000003316533 552354155 /nfs/dbraw/zinc/35/41/55/552354155.db2.gz ITVIFNWLAMJEJC-MUUNZHRXSA-N 0 0 512.679 6.694 50 30 KKEARN Cc1ccc(NC2=N[C@](c3ccc(C)cc3)(C(F)(F)F)c3c(C(F)(F)F)nn(-c4ccccc4)c3O2)cc1 ZINC000003345081 552364548 /nfs/dbraw/zinc/36/45/48/552364548.db2.gz PZLLVIHMUNXKOI-VWLOTQADSA-N 0 0 530.472 6.984 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003350075 552366906 /nfs/dbraw/zinc/36/69/06/552366906.db2.gz OXFDIPLRHFPPNZ-AREMUKBSSA-N 0 0 533.436 7.553 50 30 KKEARN C=CCN(C(=O)c1oc2ccccc2c1CSC)c1nc(-c2ccc(OC)c3ccccc23)cs1 ZINC000003351271 552367165 /nfs/dbraw/zinc/36/71/65/552367165.db2.gz VQSQVTBJROTFOW-UHFFFAOYSA-N 0 0 500.645 7.414 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003352861 552367676 /nfs/dbraw/zinc/36/76/76/552367676.db2.gz DMLFJHIQLGRKSM-RUZDIDTESA-N 0 0 514.569 5.894 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000003368524 552374329 /nfs/dbraw/zinc/37/43/29/552374329.db2.gz LIKRFMYDRCLTHI-UHFFFAOYSA-N 0 0 507.652 7.439 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000003368489 552374392 /nfs/dbraw/zinc/37/43/92/552374392.db2.gz JFEMAJVHMZWSJR-UHFFFAOYSA-N 0 0 507.652 7.439 50 30 KKEARN Cc1cc(C(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c(C)n1-c1ccc(Br)cc1 ZINC000003370350 552375064 /nfs/dbraw/zinc/37/50/64/552375064.db2.gz UGNKIIKFKWFKIO-UHFFFAOYSA-N 0 0 529.463 6.813 50 30 KKEARN COC(=O)c1c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)sc2c1CCCCC2 ZINC000003411964 552382080 /nfs/dbraw/zinc/38/20/80/552382080.db2.gz XBBICQQMKMKFQE-UHFFFAOYSA-N 0 0 520.632 5.622 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003447510 552388482 /nfs/dbraw/zinc/38/84/82/552388482.db2.gz FGHRGGOYEINHBB-UHFFFAOYSA-N 0 0 515.038 6.820 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccccc2c(=O)n1-c1ccc([C@@H](C)CC)cc1 ZINC000003458657 552389690 /nfs/dbraw/zinc/38/96/90/552389690.db2.gz KTNPEDPHMHMNLE-INIZCTEOSA-N 0 0 518.664 5.884 50 30 KKEARN CCCCCCCC(=O)Oc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000003622430 552395074 /nfs/dbraw/zinc/39/50/74/552395074.db2.gz MACGOPXWFGMRRX-JGCGQSQUSA-N 0 0 526.677 7.819 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)cc3n2)cc1OC ZINC000003629449 552396316 /nfs/dbraw/zinc/39/63/16/552396316.db2.gz FFOYFNVKIILCBM-INIZCTEOSA-N 0 0 583.636 6.769 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000003640157 552399864 /nfs/dbraw/zinc/39/98/64/552399864.db2.gz IUGXEQSYTBOJHE-DVECYGJZSA-N 0 0 511.665 5.193 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000003643375 552400421 /nfs/dbraw/zinc/40/04/21/552400421.db2.gz FCELEBBWWMTHQU-QFIPXVFZSA-N 0 0 532.574 5.058 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)nc1C ZINC000003643518 552400848 /nfs/dbraw/zinc/40/08/48/552400848.db2.gz NOEDSOIWIYZRIA-IBGZPJMESA-N 0 0 537.391 5.413 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000003643543 552400900 /nfs/dbraw/zinc/40/09/00/552400900.db2.gz FXOYZAMLPOHASO-JOCHJYFZSA-N 0 0 532.574 5.058 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000003643618 552400918 /nfs/dbraw/zinc/40/09/18/552400918.db2.gz KBDNOABFTCWNOQ-QFIPXVFZSA-N 0 0 516.575 5.439 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCCCCC)cc2)nc1C ZINC000003643585 552400932 /nfs/dbraw/zinc/40/09/32/552400932.db2.gz SLVPAPCPYPJMPI-XMMPIXPASA-N 0 0 544.629 6.220 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000003643633 552401106 /nfs/dbraw/zinc/40/11/06/552401106.db2.gz KXVSFNYMKYYARO-DEOSSOPVSA-N 0 0 544.629 6.220 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000003643635 552401136 /nfs/dbraw/zinc/40/11/36/552401136.db2.gz KXVSFNYMKYYARO-XMMPIXPASA-N 0 0 544.629 6.220 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC ZINC000003656036 552404255 /nfs/dbraw/zinc/40/42/55/552404255.db2.gz HFUFZTNHIAKCSF-HHHXNRCGSA-N 0 0 511.530 5.231 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccc(C)cc3)n2)nc2scc(-c3ccccc3)c2c1=O ZINC000003655244 552404273 /nfs/dbraw/zinc/40/42/73/552404273.db2.gz CYYUACGFHKTYQM-UHFFFAOYSA-N 0 0 531.688 5.869 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OCC ZINC000003656092 552404775 /nfs/dbraw/zinc/40/47/75/552404775.db2.gz IGQZRGBRXPAQDT-MUUNZHRXSA-N 0 0 525.557 5.539 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003663815 552408037 /nfs/dbraw/zinc/40/80/37/552408037.db2.gz RPZBDNMWWJRPRI-QHCPKHFHSA-N 0 0 511.018 5.338 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1)NC1CCCCC1 ZINC000003664769 552408581 /nfs/dbraw/zinc/40/85/81/552408581.db2.gz PZPRPRSUGBJSKF-WYMPLXKRSA-N 0 0 504.475 6.056 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000003668611 552410204 /nfs/dbraw/zinc/41/02/04/552410204.db2.gz TXNYYMOCKABIAJ-UHFFFAOYSA-N 0 0 525.472 7.973 50 30 KKEARN CCCCNC(=O)CSc1nc2ccc(/N=C/c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)cc2s1 ZINC000003669057 552410453 /nfs/dbraw/zinc/41/04/53/552410453.db2.gz DQWDNKVCMXRWSM-MZJWZYIUSA-N 0 0 540.696 5.848 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003764221 552413773 /nfs/dbraw/zinc/41/37/73/552413773.db2.gz RJASBBCOOAZUBT-UHFFFAOYSA-N 0 0 598.581 7.361 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003764218 552413788 /nfs/dbraw/zinc/41/37/88/552413788.db2.gz CZBNRDBQRHNRAC-UHFFFAOYSA-N 0 0 559.717 6.063 50 30 KKEARN Cc1cc(=O)[nH]c(Sc2ccc([N+](=O)[O-])cc2C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)n1 ZINC000003771889 552417445 /nfs/dbraw/zinc/41/74/45/552417445.db2.gz FBCVJIYLEUKYTE-RWPZCVJISA-N 0 0 545.646 6.493 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2Sc2ncccn2)sc2c1CCCC2 ZINC000003771853 552417453 /nfs/dbraw/zinc/41/74/53/552417453.db2.gz SHSCQSIYNJDZFU-KBVAKVRCSA-N 0 0 529.647 6.157 50 30 KKEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21 ZINC000003772307 552417708 /nfs/dbraw/zinc/41/77/08/552417708.db2.gz KNTTUJRGCDYESO-PYCBVSLESA-N 0 0 534.084 6.113 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000003772231 552417722 /nfs/dbraw/zinc/41/77/22/552417722.db2.gz FCQMRHTYXCHRAB-NHOCJEJCSA-N 0 0 589.607 9.772 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1cccc(Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c1 ZINC000003998792 552425545 /nfs/dbraw/zinc/42/55/45/552425545.db2.gz JZADIKIGKNQPRY-PPOKSSTKSA-N 0 0 622.527 7.140 50 30 KKEARN O=C(C=C(Nc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1)c1ccccc1 ZINC000004006054 552425782 /nfs/dbraw/zinc/42/57/82/552425782.db2.gz OVMZYLUTJBRGSS-SWKFRHMKSA-N 0 0 504.611 6.977 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004046179 552430857 /nfs/dbraw/zinc/43/08/57/552430857.db2.gz CPWRPAWWIAWLJA-MUUNZHRXSA-N 0 0 502.655 5.759 50 30 KKEARN 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COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000004064407 552431934 /nfs/dbraw/zinc/43/19/34/552431934.db2.gz ZWDJBEVMVWMRJZ-CBZJRKILSA-N 0 0 505.412 6.446 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(-c4ccccc4)cc3)N(c3ccc(C)cc3)C1=O)S2 ZINC000004063657 552431945 /nfs/dbraw/zinc/43/19/45/552431945.db2.gz LTAUEFCLIRXLPQ-MPIZTLIQSA-N 0 0 535.694 7.849 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000004065064 552432166 /nfs/dbraw/zinc/43/21/66/552432166.db2.gz OKXGTSMGTRALDT-WNSROMTISA-N 0 0 532.640 7.262 50 30 KKEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)Nc1ccccc1N2 ZINC000004065507 552432172 /nfs/dbraw/zinc/43/21/72/552432172.db2.gz GPOOWCWUFJXPOT-NRUKRWIHSA-N 0 0 507.033 7.899 50 30 KKEARN Clc1ccc(COc2c(I)cc(C=NNc3nc4ccccc4[nH]3)cc2I)c(Cl)c1 ZINC000004067455 552432695 /nfs/dbraw/zinc/43/26/95/552432695.db2.gz VCKVPQLRKYWTBS-NSKAYECMSA-N 0 0 663.084 7.104 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004067663 552432939 /nfs/dbraw/zinc/43/29/39/552432939.db2.gz KWUPAPDGMXPBPA-NDEPHWFRSA-N 0 0 519.638 5.840 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000004067752 552432991 /nfs/dbraw/zinc/43/29/91/552432991.db2.gz BEVGCUSZNHEMSK-RBTNQOKQSA-N 0 0 508.058 6.690 50 30 KKEARN CCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000004068145 552433180 /nfs/dbraw/zinc/43/31/80/552433180.db2.gz FCMKVHRIELHLRQ-DLLPINGYSA-N 0 0 523.629 6.069 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004079276 552433293 /nfs/dbraw/zinc/43/32/93/552433293.db2.gz IGNPKMXLTWQTIX-WNSROMTISA-N 0 0 566.698 7.559 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(OC)c(OC)c3)C4)ccc21 ZINC000004080606 552433378 /nfs/dbraw/zinc/43/33/78/552433378.db2.gz LVJBGRNAJINNFQ-LUWBXXKHSA-N 0 0 543.667 7.811 50 30 KKEARN CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccc(OC)cc3)C4)ccc21 ZINC000004080246 552433380 /nfs/dbraw/zinc/43/33/80/552433380.db2.gz ZFRYDJVSUQJSSM-NHOCJEJCSA-N 0 0 513.641 7.803 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000004068271 552433382 /nfs/dbraw/zinc/43/33/82/552433382.db2.gz UOFXXVJASTWENW-HLADLETHSA-N 0 0 509.602 5.896 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000004081992 552433587 /nfs/dbraw/zinc/43/35/87/552433587.db2.gz NYBVZQLZJCWAEK-OQRWROFFSA-N 0 0 533.411 7.088 50 30 biogenic KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081904 552433659 /nfs/dbraw/zinc/43/36/59/552433659.db2.gz BIWHAUPKAKGOMQ-JQJBXXCASA-N 0 0 502.614 7.350 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000004081993 552433665 /nfs/dbraw/zinc/43/36/65/552433665.db2.gz NYBVZQLZJCWAEK-CHAGWJKLSA-N 0 0 533.411 7.088 50 30 biogenic KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081903 552433677 /nfs/dbraw/zinc/43/36/77/552433677.db2.gz BIWHAUPKAKGOMQ-HPMVVLTCSA-N 0 0 502.614 7.350 50 30 KKEARN CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)C1CCCCC1 ZINC000004080784 552433680 /nfs/dbraw/zinc/43/36/80/552433680.db2.gz ZBXGXCCNPHZFPI-PMERELPUSA-N 0 0 516.682 7.410 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3CCc3ccccc3)ccc2s1 ZINC000004089392 552434717 /nfs/dbraw/zinc/43/47/17/552434717.db2.gz NLRIJTDQOYTLHP-NPGLLJSBSA-N 0 0 514.701 6.822 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc(Cl)c2)N(CCc2ccccc2)C1=O ZINC000004089411 552434719 /nfs/dbraw/zinc/43/47/19/552434719.db2.gz LMTKHEYYNVPNPX-ILRPLKKTSA-N 0 0 512.487 7.210 50 30 KKEARN C=CCc1ccccc1OCCn1c(C)c(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000004090347 552435207 /nfs/dbraw/zinc/43/52/07/552435207.db2.gz PEQGUFVZHJJWJA-OGUBVAASSA-N 0 0 575.694 6.455 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccc(Cl)cc5N4C)C(=O)N3CCc3ccccc3)cc2s1 ZINC000004091153 552435370 /nfs/dbraw/zinc/43/53/70/552435370.db2.gz ULFDEZIMHFGHDK-SSEVLGFUSA-N 0 0 549.146 7.475 50 30 KKEARN CC(/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)CCC1(C)C ZINC000004097703 552436451 /nfs/dbraw/zinc/43/64/51/552436451.db2.gz QXNWZXMBUKUYMD-QQGJMDNJSA-N 0 0 550.871 11.785 50 30 in-vitro KKEARN COc1ccc(C(N=Nc2ccc(Br)cc2)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000004099418 552436671 /nfs/dbraw/zinc/43/66/71/552436671.db2.gz VVYYLVIAZYXNEU-HVELPMHUSA-N 0 0 563.459 8.139 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3ccc(F)cc3)cc2s1 ZINC000004105652 552436969 /nfs/dbraw/zinc/43/69/69/552436969.db2.gz UTQLYUHZZAMWEY-ILRPLKKTSA-N 0 0 504.637 6.923 50 30 KKEARN CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccc(Br)cc2)N(C2CCCCC2)C1=O ZINC000004108269 552437213 /nfs/dbraw/zinc/43/72/13/552437213.db2.gz LDBVJZPLEFCSPZ-KZKDCJJISA-N 0 0 534.932 7.409 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000004111817 552438174 /nfs/dbraw/zinc/43/81/74/552438174.db2.gz QNVFHGUPXPJLHQ-SKCUWOTOSA-N 0 0 503.595 5.324 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112004 552438193 /nfs/dbraw/zinc/43/81/93/552438193.db2.gz CDZCRGUQECWICD-HVNZXBJASA-N 0 0 507.630 6.363 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000004112009 552438205 /nfs/dbraw/zinc/43/82/05/552438205.db2.gz CDZCRGUQECWICD-MXBOTTGLSA-N 0 0 507.630 6.363 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000004112744 552438374 /nfs/dbraw/zinc/43/83/74/552438374.db2.gz CKZDZDODDIJRTB-DWXRJYCRSA-N 0 0 576.542 6.756 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004112012 552438406 /nfs/dbraw/zinc/43/84/06/552438406.db2.gz WVUNPFLTSNCLQZ-QABMSTFYSA-N 0 0 528.048 6.844 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004112657 552438438 /nfs/dbraw/zinc/43/84/38/552438438.db2.gz QHYXCHWZBFOCMQ-SKCUWOTOSA-N 0 0 508.058 6.690 50 30 KKEARN CCN(CCO)c1ccc(/N=C2\S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2c2ccc(O)cc2)c(C)c1 ZINC000004124801 552441901 /nfs/dbraw/zinc/44/19/01/552441901.db2.gz JADPAAWNHCDAPV-GROPNIIDSA-N 0 0 562.717 5.707 50 30 KKEARN COc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 ZINC000004196300 552448165 /nfs/dbraw/zinc/44/81/65/552448165.db2.gz KCXLZTJUNABTOH-UXHLAJHPSA-N 0 0 566.293 7.971 50 30 KKEARN O=C(Oc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000004292781 552456967 /nfs/dbraw/zinc/45/69/67/552456967.db2.gz JUZGSINCIGURPI-WCMJOSRZSA-N 0 0 603.867 6.398 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)s1 ZINC000004396004 552458736 /nfs/dbraw/zinc/45/87/36/552458736.db2.gz UTQMQWYGEZCVQJ-HSZRJFAPSA-N 0 0 502.430 5.539 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)ccc1OCc1ccccc1 ZINC000004433992 552461319 /nfs/dbraw/zinc/46/13/19/552461319.db2.gz NUEHIRZXTCZPQD-WJOKGBTCSA-N 0 0 538.485 8.491 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000004434067 552461357 /nfs/dbraw/zinc/46/13/57/552461357.db2.gz YCUZMGUGLYKOER-UMSFTDKQSA-N 0 0 578.543 9.368 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000004531540 552463698 /nfs/dbraw/zinc/46/36/98/552463698.db2.gz ZOGDNICMWMEEGH-LEYWGUNPSA-N 0 0 557.690 7.035 50 30 KKEARN Brc1cc(Cc2cc(Br)c(OC[C@@H]3CO3)c(Br)c2)cc(Br)c1OC[C@H]1CO1 ZINC000004552101 552466675 /nfs/dbraw/zinc/46/66/75/552466675.db2.gz GUGHYOFMFMXUQO-BETUJISGSA-N 0 0 627.949 5.883 50 30 KKEARN Cc1ccc([C@@H]2c3ccccc3OC(c3ccccc3)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004577679 552468971 /nfs/dbraw/zinc/46/89/71/552468971.db2.gz JOWZIVQUXPHWIV-ZOUCTGKASA-N 0 0 506.518 6.845 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635168 552469487 /nfs/dbraw/zinc/46/94/87/552469487.db2.gz MCRVBKLUHYTLGK-SANMLTNESA-N 0 0 529.434 6.314 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004635723 552469512 /nfs/dbraw/zinc/46/95/12/552469512.db2.gz SVUXVEYGUKAAEH-SIBVEZHUSA-N 0 0 504.964 6.619 50 30 KKEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(Br)c1 ZINC000004635184 552469533 /nfs/dbraw/zinc/46/95/33/552469533.db2.gz JOHIMXUWHZIZLY-DEOSSOPVSA-N 0 0 535.825 6.405 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1 ZINC000004635965 552469903 /nfs/dbraw/zinc/46/99/03/552469903.db2.gz ZMAUOTMBJNLCSA-QHCPKHFHSA-N 0 0 532.946 6.330 50 30 KKEARN CCC(C)(C)C1C/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000004762445 552479440 /nfs/dbraw/zinc/47/94/40/552479440.db2.gz TYDQCEJCHPFCGM-GPAWKIAZSA-N 0 0 514.710 6.242 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000004788228 552482573 /nfs/dbraw/zinc/48/25/73/552482573.db2.gz NWEYUORBMKDAQU-HEIROHQZSA-N 0 0 567.686 5.779 50 30 KKEARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793545 552485211 /nfs/dbraw/zinc/48/52/11/552485211.db2.gz ZMTVQRNKRGQVJG-OAQYLSRUSA-N 0 0 536.495 6.334 50 30 KKEARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793539 552485263 /nfs/dbraw/zinc/48/52/63/552485263.db2.gz ZMTVQRNKRGQVJG-NRFANRHFSA-N 0 0 536.495 6.334 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355953 552498959 /nfs/dbraw/zinc/49/89/59/552498959.db2.gz RGVSBILKJOAWPU-HSZRJFAPSA-N 0 0 534.634 5.898 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000005357162 552499304 /nfs/dbraw/zinc/49/93/04/552499304.db2.gz JKPRJFYAVIBODG-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000005919018 552511982 /nfs/dbraw/zinc/51/19/82/552511982.db2.gz SIMDAZOLCCXQCK-XMMPIXPASA-N 0 0 546.645 5.983 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918863 552511986 /nfs/dbraw/zinc/51/19/86/552511986.db2.gz VXJKOMADERUPBC-MYUZEXMDSA-N 0 0 517.578 5.569 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000005918857 552512002 /nfs/dbraw/zinc/51/20/02/552512002.db2.gz SGHUHRHOFHUTDE-GDJIYFAZSA-N 0 0 528.605 5.371 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927672 552513132 /nfs/dbraw/zinc/51/31/32/552513132.db2.gz QGTNYPHTZGXBSP-RUZDIDTESA-N 0 0 560.672 6.408 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000005944486 552514688 /nfs/dbraw/zinc/51/46/88/552514688.db2.gz VTGSPUMAADDXIP-IPBJYNAHSA-N 0 0 558.644 8.314 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000006075247 552527165 /nfs/dbraw/zinc/52/71/65/552527165.db2.gz SFABFOHNBSHXDQ-GFCCVEGCSA-N 0 0 608.509 7.576 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nc(-c3ccc(Br)cc3)cc4C(F)(F)F)sc2C1 ZINC000006075273 552527188 /nfs/dbraw/zinc/52/71/88/552527188.db2.gz KOKSQTCAAGHBSA-HNNXBMFYSA-N 0 0 602.480 7.514 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3nn4c(nc(-c5cccs5)cc4C(F)(F)F)c3Br)sc2C1 ZINC000006075270 552527230 /nfs/dbraw/zinc/52/72/30/552527230.db2.gz SFABFOHNBSHXDQ-LBPRGKRZSA-N 0 0 608.509 7.576 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1 ZINC000006077104 552528426 /nfs/dbraw/zinc/52/84/26/552528426.db2.gz KIJQWXOZLHENIS-YTTGMZPUSA-N 0 0 568.674 5.731 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000006077196 552528525 /nfs/dbraw/zinc/52/85/25/552528525.db2.gz OWAHOZWZWWNJAL-WJOKGBTCSA-N 0 0 512.024 8.521 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2Cl)c1C#N ZINC000006089446 552531803 /nfs/dbraw/zinc/53/18/03/552531803.db2.gz IDXVWSRYKFJRPD-UHFFFAOYSA-N 0 0 562.116 7.527 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OC(=O)c1ccco1 ZINC000006089732 552532681 /nfs/dbraw/zinc/53/26/81/552532681.db2.gz YXXVOWNHVBTUBM-NDZAJKAJSA-N 0 0 535.564 6.016 50 30 KKEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143585 552545154 /nfs/dbraw/zinc/54/51/54/552545154.db2.gz VVGQBTGUVJBECZ-DEOSSOPVSA-N 0 0 514.695 6.109 50 30 KKEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143588 552545167 /nfs/dbraw/zinc/54/51/67/552545167.db2.gz QJFLMCNYTQPTJC-XMMPIXPASA-N 0 0 532.685 6.248 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000006143592 552545179 /nfs/dbraw/zinc/54/51/79/552545179.db2.gz RCJPFQMRRCLXMW-JOCHJYFZSA-N 0 0 548.621 5.188 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000006147782 552549225 /nfs/dbraw/zinc/54/92/25/552549225.db2.gz JEVIDXXKJQUATA-UHFFFAOYSA-N 0 0 601.703 5.514 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000006157033 552552681 /nfs/dbraw/zinc/55/26/81/552552681.db2.gz PMLRYSGUVOUBFR-UHFFFAOYSA-N 0 0 516.022 6.689 50 30 KKEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162083 552554916 /nfs/dbraw/zinc/55/49/16/552554916.db2.gz ZISUGDMAELGVMF-CHJDUVSTSA-N 0 0 533.665 6.196 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000006162498 552555165 /nfs/dbraw/zinc/55/51/65/552555165.db2.gz VZTUGBMUMDHERL-WTYVLRPYSA-N 0 0 521.610 5.036 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000006162480 552555170 /nfs/dbraw/zinc/55/51/70/552555170.db2.gz HLTQVEBCAIVRDO-LGGPFLRQSA-N 0 0 535.637 5.426 50 30 KKEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006162107 552555200 /nfs/dbraw/zinc/55/52/00/552555200.db2.gz ZISUGDMAELGVMF-YKGWIAGDSA-N 0 0 533.665 6.196 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000006177208 552560037 /nfs/dbraw/zinc/56/00/37/552560037.db2.gz SDHSABBTXIGOOK-SFHVURJKSA-N 0 0 500.023 7.069 50 30 KKEARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006177372 552560462 /nfs/dbraw/zinc/56/04/62/552560462.db2.gz GSZOWOGLDNJHOM-LJQANCHMSA-N 0 0 512.034 7.263 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000006195297 552567381 /nfs/dbraw/zinc/56/73/81/552567381.db2.gz LHRMEELAHPXXDE-UHFFFAOYSA-N 0 0 514.050 7.297 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000006196513 552568755 /nfs/dbraw/zinc/56/87/55/552568755.db2.gz ODCLKEVXVSAWGQ-MMTVBGGISA-N 0 0 521.610 5.036 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000006245197 552573979 /nfs/dbraw/zinc/57/39/79/552573979.db2.gz OGWLBLFHRGCYJT-LJQANCHMSA-N 0 0 514.050 7.377 50 30 KKEARN Cc1ccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000006280455 552576387 /nfs/dbraw/zinc/57/63/87/552576387.db2.gz LUTGTTFOCCEHBU-OPEKNORGSA-N 0 0 504.894 5.641 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000006297565 552579707 /nfs/dbraw/zinc/57/97/07/552579707.db2.gz LWOGOHBSVIGFHK-UDNBHOFDSA-N 0 0 594.689 6.766 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1cccnc1 ZINC000006444168 552586765 /nfs/dbraw/zinc/58/67/65/552586765.db2.gz XKZINVCBGAISKV-UHFFFAOYSA-N 0 0 513.022 6.513 50 30 KKEARN Brc1ccc2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000006474401 552592657 /nfs/dbraw/zinc/59/26/57/552592657.db2.gz GSBMXVSNEUBQLZ-FMFFXOCNSA-N 0 0 544.456 7.963 50 30 KKEARN CCCN1C/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000006481845 552594381 /nfs/dbraw/zinc/59/43/81/552594381.db2.gz LGWABSKBMLSEQN-NELAXGKJSA-N 0 0 589.732 7.624 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000006844318 552974487 /nfs/dbraw/zinc/97/44/87/552974487.db2.gz KWXGJTSJUKTDQU-UHFFFAOYSA-N 0 0 545.958 6.388 50 30 in-vitro KKEARN COC1=CC(=[NH+][N-]c2ccc(Br)cc2)C=C(C=Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1=O ZINC000006905988 552977699 /nfs/dbraw/zinc/97/76/99/552977699.db2.gz LFWXCVPFFQSEHP-YCEPCYNGSA-N 0 0 561.823 8.791 50 30 KKEARN CCC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@@H]12 ZINC000008383283 552986149 /nfs/dbraw/zinc/98/61/49/552986149.db2.gz WARQXEKFVMNFDR-BLXACNBASA-N 0 0 546.692 6.604 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008383885 552987962 /nfs/dbraw/zinc/98/79/62/552987962.db2.gz OYGCBUVMHQAUPY-BARHPXBQSA-N 0 0 606.729 8.551 50 30 KKEARN CC(C)N=C1N(C(C)C)C(=O)[C@@]1(C(=O)C(C)(C)C)[C@@]1(C(C)(C)C)OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 ZINC000008384160 552988833 /nfs/dbraw/zinc/98/88/33/552988833.db2.gz YBWZIPXMMDIXFE-QFAVHIRUSA-N 0 0 546.749 5.877 50 30 KKEARN Brc1ccc(-c2ccc(/C=N\c3ccc4oc(-c5cccc(I)c5)nc4c3)o2)cc1 ZINC000008386911 552992799 /nfs/dbraw/zinc/99/27/99/552992799.db2.gz XVBDSCHPYNOSKM-VYYCAZPPSA-N 0 0 569.196 7.873 50 30 KKEARN Cc1ccc(S(=O)(=O)N2c3ccccc3NC3(C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008386923 552992908 /nfs/dbraw/zinc/99/29/08/552992908.db2.gz XVYSOPHDJBJNHA-JGCGQSQUSA-N 0 0 627.763 7.042 50 30 KKEARN CCCCCn1c2ccccc2nc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000008386974 552993159 /nfs/dbraw/zinc/99/31/59/552993159.db2.gz TYVHPCBMCFTJQX-XFDPIZJNSA-N 0 0 511.673 8.333 50 30 KKEARN CCn1c2ccccc2nc1/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)cc1 ZINC000008387523 552993889 /nfs/dbraw/zinc/99/38/89/552993889.db2.gz KUPMQQHIUREMHB-FZEGLUMNSA-N 0 0 548.488 7.925 50 30 KKEARN COC(=O)c1cccc(-n2c(C)cc(/C=C3/S/C(=N/c4cccc(Cl)c4Cl)NC3=O)c2C)c1C ZINC000008395867 552994146 /nfs/dbraw/zinc/99/41/46/552994146.db2.gz UFMPSMBXPJAEAB-CIAFOILYSA-N 0 0 514.434 6.388 50 30 KKEARN COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000008396140 552994858 /nfs/dbraw/zinc/99/48/58/552994858.db2.gz SIAUFQNADDFWGO-UIRDYCSSSA-N 0 0 544.636 7.155 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000008396229 552995092 /nfs/dbraw/zinc/99/50/92/552995092.db2.gz RLBQPKHSPCFVSV-JLPGSUDCSA-N 0 0 517.578 5.575 50 30 KKEARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008396403 552995388 /nfs/dbraw/zinc/99/53/88/552995388.db2.gz GUJSEJJAUDRGOY-UHFFFAOYSA-N 0 0 522.286 6.329 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000008396753 552995860 /nfs/dbraw/zinc/99/58/60/552995860.db2.gz GKFKEAMELYDPLB-UHFFFAOYSA-N 0 0 562.062 7.657 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1 ZINC000008397518 552996874 /nfs/dbraw/zinc/99/68/74/552996874.db2.gz TYNAOQGUBCXQDM-NJZRLIGZSA-N 0 0 523.641 6.029 50 30 KKEARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000008397560 552997005 /nfs/dbraw/zinc/99/70/05/552997005.db2.gz DXQOCOICVULFHE-UHFFFAOYSA-N 0 0 592.427 5.552 50 30 KKEARN CC(C)(C)c1cc(Cl)c(O)c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000008397854 552997789 /nfs/dbraw/zinc/99/77/89/552997789.db2.gz DBYQQOUSHXHMFK-OZXDELKGSA-N 0 0 503.514 7.849 50 30 KKEARN CCCCCCCCCCOc1ccc(/N=C(CC)/C(CC)=N/c2ccc(OCCCCCCCCCC)cc2)cc1 ZINC000008398160 552998339 /nfs/dbraw/zinc/99/83/39/552998339.db2.gz OAEHVECKBGSNNW-HVMBLDELSA-N 0 0 576.910 12.391 50 30 KKEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1 ZINC000008398288 552998744 /nfs/dbraw/zinc/99/87/44/552998744.db2.gz AYWGWQUXUIAGNW-UHFFFAOYSA-N 0 0 507.498 5.467 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398550 552999398 /nfs/dbraw/zinc/99/93/98/552999398.db2.gz YRRVZTCQTDAWQK-UHFFFAOYSA-N 0 0 520.828 7.967 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398538 552999410 /nfs/dbraw/zinc/99/94/10/552999410.db2.gz YRJZIAFLTHRSRY-UHFFFAOYSA-N 0 0 540.774 6.880 50 30 KKEARN CCCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc2sc3c(c2C(=O)OCCC)CCCCC3)sc2c1CCCCC2 ZINC000008398668 552999680 /nfs/dbraw/zinc/99/96/80/552999680.db2.gz JOUROPOOCHRHOH-UHFFFAOYSA-N 0 0 760.766 8.599 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008398918 553000103 /nfs/dbraw/zinc/00/01/03/553000103.db2.gz KDFSJBXMDUSNAH-JIYROHSKSA-N 0 0 539.632 7.084 50 30 KKEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)c1ccc(Cl)cc1Cl ZINC000008399046 553000375 /nfs/dbraw/zinc/00/03/75/553000375.db2.gz SXUUUCQMLXGJNB-UXHLAJHPSA-N 0 0 554.482 5.824 50 30 KKEARN CCOC(=O)c1ccc(/N=C2C(=N\c3ccc(C(=O)OCC)cc3)\S/C(=N\C(=S)N(C)C)N\2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008399125 553000557 /nfs/dbraw/zinc/00/05/57/553000557.db2.gz KCXHIZLCVRIVTE-VXRWQBFSSA-N 0 0 632.724 6.164 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\C(=N\c3ccccc3)SCc3ccccc3)N\2c2ccccc2)cc1 ZINC000008399144 553000563 /nfs/dbraw/zinc/00/05/63/553000563.db2.gz OZGSLLJSNBWCJV-LUTDGDKQSA-N 0 0 641.822 9.695 50 30 KKEARN C(=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)\c1c2ccccc2cc2ccccc21 ZINC000008399178 553000572 /nfs/dbraw/zinc/00/05/72/553000572.db2.gz YTQJDHXUIDAWHI-KODKPMQTSA-N 0 0 559.698 9.397 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/c1ccc(I)cc1C ZINC000008399848 553002334 /nfs/dbraw/zinc/00/23/34/553002334.db2.gz LVBJRSZRYICMBC-JVWAILMASA-N 0 0 523.443 7.304 50 30 KKEARN CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]2C(=O)c1ccc(Br)cc1 ZINC000008399966 553002881 /nfs/dbraw/zinc/00/28/81/553002881.db2.gz XBLDIYUUSRBTRJ-HKBQPEDESA-N 0 0 692.632 7.496 50 30 KKEARN COc1ccc(C2Oc3ccccc3[C@H](c3ccccc3)C2=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000008399991 553002930 /nfs/dbraw/zinc/00/29/30/553002930.db2.gz YYZQSBFOAUZEAX-DYMUHGJBSA-N 0 0 552.543 6.554 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S/C1=N\c1ccccc1 ZINC000008400503 553004684 /nfs/dbraw/zinc/00/46/84/553004684.db2.gz HNVUTIWVMYNGHE-HVDWSURWSA-N 0 0 501.608 5.263 50 30 KKEARN Clc1ccc(/C=N/c2ccc3c(c2)ncn3CCCn2cnc3cc(/N=C/c4ccc(Cl)cc4)ccc32)cc1 ZINC000008400406 553004736 /nfs/dbraw/zinc/00/47/36/553004736.db2.gz NXUWAXBHSAXTHZ-WKCPDWHCSA-N 0 0 551.481 8.284 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1Br ZINC000008400449 553004753 /nfs/dbraw/zinc/00/47/53/553004753.db2.gz MPADQZKJXJEYGX-HZLKLEQGSA-N 0 0 550.272 5.474 50 30 KKEARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4C#N)c(I)c3)C2=O)cc1 ZINC000008400626 553005258 /nfs/dbraw/zinc/00/52/58/553005258.db2.gz RQAMJVLDEPSTDZ-CFRMEGHHSA-N 0 0 609.445 5.725 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000008400743 553005390 /nfs/dbraw/zinc/00/53/90/553005390.db2.gz UBWOIHANLIOXHE-IMRQLAEWSA-N 0 0 634.592 7.496 50 30 KKEARN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c(C)c1 ZINC000008405433 553006935 /nfs/dbraw/zinc/00/69/35/553006935.db2.gz JRCXZSUSJFSBOB-FRTKJFMSSA-N 0 0 527.580 6.165 50 30 KKEARN C#CCOc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccc(OC)cc2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000008405826 553007310 /nfs/dbraw/zinc/00/73/10/553007310.db2.gz KEFQXVZMBLWVBY-XICOUIIWSA-N 0 0 799.455 6.750 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000008406754 553007400 /nfs/dbraw/zinc/00/74/00/553007400.db2.gz FIYUVIPDEYPKFP-USIKZRCBSA-N 0 0 512.609 6.265 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3OCc3ccccc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000008407184 553007653 /nfs/dbraw/zinc/00/76/53/553007653.db2.gz RUJJBXIIWLLAGW-JRZNSJKLSA-N 0 0 835.532 8.617 50 30 KKEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)o1 ZINC000008407074 553007693 /nfs/dbraw/zinc/00/76/93/553007693.db2.gz YNXSWFNWLGZCRK-ACQOKJFWSA-N 0 0 525.586 7.289 50 30 KKEARN Clc1ccc(COc2cccc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)c2)c(Cl)c1 ZINC000008407594 553008589 /nfs/dbraw/zinc/00/85/89/553008589.db2.gz VUQQENSLZVIBOM-STBIYBPSSA-N 0 0 511.457 6.009 50 30 KKEARN CCOc1cc(C=NN=c2cc(N(C)C)[nH]c(N(C)C)n2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000008407769 553008789 /nfs/dbraw/zinc/00/87/89/553008789.db2.gz DEWOPRZYAAUREL-TWKHWXDSSA-N 0 0 520.678 5.209 50 30 KKEARN Fc1ccc(COc2ccc(Cl)cc2C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1 ZINC000008407848 553009107 /nfs/dbraw/zinc/00/91/07/553009107.db2.gz OKYVIQKQLNEVFZ-ZCTHSVRISA-N 0 0 523.056 6.275 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cc(OC)c(OC)c(OC)c3)c2C#N)c(OC)c1 ZINC000008412065 553009681 /nfs/dbraw/zinc/00/96/81/553009681.db2.gz RYCBVCSHRGMDPL-UHFFFAOYSA-N 0 0 571.655 6.061 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1Cl)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000008412482 553010003 /nfs/dbraw/zinc/01/00/03/553010003.db2.gz JLKINXHOELMXGM-RUZDIDTESA-N 0 0 562.453 7.202 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000008412427 553010033 /nfs/dbraw/zinc/01/00/33/553010033.db2.gz NYYJPVICOURSGX-IBGZPJMESA-N 0 0 503.527 5.523 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413351 553010093 /nfs/dbraw/zinc/01/00/93/553010093.db2.gz MTOWWEIFNIZPOT-JOCHJYFZSA-N 0 0 512.462 6.846 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008413126 553010106 /nfs/dbraw/zinc/01/01/06/553010106.db2.gz XQASWRBPCXGCEO-DEOSSOPVSA-N 0 0 503.624 5.556 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CCC3)c1OC ZINC000008413147 553010118 /nfs/dbraw/zinc/01/01/18/553010118.db2.gz VILMCFRSSSXGCB-JOCHJYFZSA-N 0 0 554.466 5.683 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413285 553010129 /nfs/dbraw/zinc/01/01/29/553010129.db2.gz STNJGVRDLHVXPY-QFIPXVFZSA-N 0 0 556.913 6.955 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000008413257 553010137 /nfs/dbraw/zinc/01/01/37/553010137.db2.gz MTDMHWFFXZLFOX-OAQYLSRUSA-N 0 0 591.358 7.608 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000008414865 553010609 /nfs/dbraw/zinc/01/06/09/553010609.db2.gz XWKRKEYIDNSNQU-AFJIDDCJSA-N 0 0 542.607 5.852 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000008414964 553010901 /nfs/dbraw/zinc/01/09/01/553010901.db2.gz WDKKQEJPCJGCKW-QHCPKHFHSA-N 0 0 518.963 6.610 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000008415042 553010914 /nfs/dbraw/zinc/01/09/14/553010914.db2.gz KQDAYJBMTQNFQB-MYUZEXMDSA-N 0 0 571.426 8.013 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008415404 553011042 /nfs/dbraw/zinc/01/10/42/553011042.db2.gz WTLSIDGZMZTWLR-DEOSSOPVSA-N 0 0 532.006 6.668 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000008416211 553011990 /nfs/dbraw/zinc/01/19/90/553011990.db2.gz CBAIXGULIRHKSO-ZPZUNKDASA-N 0 0 557.565 5.428 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000008425098 553014938 /nfs/dbraw/zinc/01/49/38/553014938.db2.gz XFCWMUFGAQYFEK-UUWRZZSWSA-N 0 0 578.543 9.368 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008425200 553015048 /nfs/dbraw/zinc/01/50/48/553015048.db2.gz YMESHVDZWNQEPS-HVIPQOSHSA-N 0 0 555.118 7.291 50 30 KKEARN CCCC(=O)C1=C(Nc2ccc(-c3ccc(NC4=C(C(=O)CCC)C(=O)CC(C)(C)C4)cc3)cc2)CC(C)(C)CC1=O ZINC000008425413 553015449 /nfs/dbraw/zinc/01/54/49/553015449.db2.gz XTPODKPRQNYEKO-UHFFFAOYSA-N 0 0 568.758 8.202 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1Cl ZINC000008425503 553015638 /nfs/dbraw/zinc/01/56/38/553015638.db2.gz YCQKIGLRYKUSPG-ZMTYCLHQSA-N 0 0 619.139 5.473 50 30 KKEARN COC(=O)c1ccc(N2C(=O)C[C@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000008425810 553016547 /nfs/dbraw/zinc/01/65/47/553016547.db2.gz SOERTBMTIWHFAJ-VWLOTQADSA-N 0 0 615.630 5.394 50 30 KKEARN C=C(C)COc1c(I)cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCC ZINC000008426547 553018525 /nfs/dbraw/zinc/01/85/25/553018525.db2.gz RZMKHYCNKXKRIV-NVMNQCDNSA-N 0 0 507.299 5.128 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)c(Br)c1 ZINC000008426523 553018529 /nfs/dbraw/zinc/01/85/29/553018529.db2.gz JWUOXDAYKOSZND-UHFFFAOYSA-N 0 0 532.438 7.228 50 30 KKEARN O=C(N=C(c1ccccc1)N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008426942 553019030 /nfs/dbraw/zinc/01/90/30/553019030.db2.gz FVENZGOHFVPAOM-UHFFFAOYSA-N 0 0 534.316 6.185 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)O/N=C2/c3ccccc3N(C(=O)c3ccc(OCCCCCCCCCC)cc3)C2=O)cc1 ZINC000008426938 553019117 /nfs/dbraw/zinc/01/91/17/553019117.db2.gz YYBFYYWVXAUZAN-MBJURZOESA-N 0 0 682.902 10.474 50 30 KKEARN CCCCCCCCCCCCCCCCSc1nc(C(F)(F)F)cc(-c2cccs2)c1C#N ZINC000008427101 553019313 /nfs/dbraw/zinc/01/93/13/553019313.db2.gz RJXAYIIDAHIHCF-UHFFFAOYSA-N 0 0 510.735 10.274 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccccc2I)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000008427343 553019888 /nfs/dbraw/zinc/01/98/88/553019888.db2.gz ICYQHRXWZFNGLD-BSVVFNILSA-N 0 0 585.489 6.604 50 30 KKEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C1=O ZINC000008430140 553021072 /nfs/dbraw/zinc/02/10/72/553021072.db2.gz KVCDVHGJMAOLMG-ONUIUJJFSA-N 0 0 537.641 5.501 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000008430225 553021092 /nfs/dbraw/zinc/02/10/92/553021092.db2.gz HKPCOORUMHTBPZ-JMGYQRAPSA-N 0 0 579.447 6.183 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008430396 553021504 /nfs/dbraw/zinc/02/15/04/553021504.db2.gz SHMRPNGYPDKCOP-HPGBDJQBSA-N 0 0 500.551 5.421 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)c1 ZINC000008430557 553021756 /nfs/dbraw/zinc/02/17/56/553021756.db2.gz KDVDUBZMLVQCEA-IANOAQMISA-N 0 0 502.614 7.254 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008430601 553022009 /nfs/dbraw/zinc/02/20/09/553022009.db2.gz SZNPKIRRXIOMHB-WRHNGFHOSA-N 0 0 509.433 7.380 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1C ZINC000008431134 553022371 /nfs/dbraw/zinc/02/23/71/553022371.db2.gz JFLNVJYZFUGLFX-LEYWGUNPSA-N 0 0 626.580 8.341 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000008431095 553022374 /nfs/dbraw/zinc/02/23/74/553022374.db2.gz GNUAFQNRAAFJAY-WGJIXSQISA-N 0 0 790.763 9.903 50 30 KKEARN COC(=O)C1=C(C(=O)O/C(=N\C2CCCCC2)NC2CCCCC2)C=CC=C2C(C)=CC(C)=CC(C)=C21 ZINC000008431203 553022687 /nfs/dbraw/zinc/02/26/87/553022687.db2.gz BRYLTFPYKLVUMJ-UHFFFAOYSA-N 0 0 504.671 6.329 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3CC)N(c3ccccc3CC)C2=O)cc(I)c1OCc1ccccc1 ZINC000008431198 553022736 /nfs/dbraw/zinc/02/27/36/553022736.db2.gz IXHADIPPPOHDFA-IUCQHBJKSA-N 0 0 688.631 9.202 50 30 KKEARN CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000008431512 553023287 /nfs/dbraw/zinc/02/32/87/553023287.db2.gz CTKYMRBYNSQVIF-SSEXGKCCSA-N 0 0 515.053 7.124 50 30 KKEARN C=CCn1c(Sc2nc(C)nc3sc4c(c32)CCCC4)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008431752 553023890 /nfs/dbraw/zinc/02/38/90/553023890.db2.gz DSCLTVSJLFMVGB-UHFFFAOYSA-N 0 0 520.680 6.793 50 30 KKEARN COc1c(Cl)cc(Cl)cc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1 ZINC000008431994 553024931 /nfs/dbraw/zinc/02/49/31/553024931.db2.gz VJLUGAYLJFWHBI-MUUNZHRXSA-N 0 0 535.471 7.388 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008432425 553026067 /nfs/dbraw/zinc/02/60/67/553026067.db2.gz RSEZBMBZLDGGCL-FLASPHMUSA-N 0 0 592.658 8.204 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008432422 553026099 /nfs/dbraw/zinc/02/60/99/553026099.db2.gz RSEZBMBZLDGGCL-WYOOIXGGSA-N 0 0 592.658 8.204 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008432435 553026199 /nfs/dbraw/zinc/02/61/99/553026199.db2.gz VWEZLJYQJVUPKD-HUBRWUETSA-N 0 0 608.666 7.075 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008432434 553026257 /nfs/dbraw/zinc/02/62/57/553026257.db2.gz VWEZLJYQJVUPKD-OHWKKVTOSA-N 0 0 608.666 7.075 50 30 KKEARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000008432563 553026352 /nfs/dbraw/zinc/02/63/52/553026352.db2.gz WQBSKFUPMBFVFT-AREMUKBSSA-N 0 0 598.640 6.040 50 30 KKEARN CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432585 553026396 /nfs/dbraw/zinc/02/63/96/553026396.db2.gz APKQPVUXNMOUDN-HKBQPEDESA-N 0 0 508.662 7.712 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccccc2OCc2cccc(OC)c2)cc1 ZINC000008432696 553026828 /nfs/dbraw/zinc/02/68/28/553026828.db2.gz YCOPQXCKZFQTPT-PMERELPUSA-N 0 0 614.496 6.513 50 30 KKEARN C=CCOc1ccc(Br)cc1[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)c1ccccc1OCC ZINC000008432691 553026886 /nfs/dbraw/zinc/02/68/86/553026886.db2.gz WNVPGKZYIUEVIC-DEOSSOPVSA-N 0 0 601.295 6.087 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000008432821 553027157 /nfs/dbraw/zinc/02/71/57/553027157.db2.gz AHFGIUPSFMSOPO-HKBQPEDESA-N 0 0 523.677 6.998 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008433089 553028005 /nfs/dbraw/zinc/02/80/05/553028005.db2.gz GYJZENLFTVUQFY-ADSBAMQRSA-N 0 0 590.532 8.670 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)C(=O)N2CC)cc1 ZINC000008438098 553032802 /nfs/dbraw/zinc/03/28/02/553032802.db2.gz URYSCBRSRFOFCT-ZISNPVPXSA-N 0 0 541.648 6.938 50 30 KKEARN O=C1/C(=C2/SC(c3ccccc3)=NN2c2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000008438074 553032848 /nfs/dbraw/zinc/03/28/48/553032848.db2.gz NGRTYITZDSHXIQ-XGIYHRHSSA-N 0 0 504.640 7.238 50 30 KKEARN Clc1ccc(Cn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)cc1 ZINC000008438260 553033528 /nfs/dbraw/zinc/03/35/28/553033528.db2.gz HWOGWQUSQWBYHA-STBIYBPSSA-N 0 0 501.038 5.174 50 30 KKEARN O=C(c1ccccc1)C1=CN2c3ccccc3S[C@](O)(c3ccccc3)[C@H]2[C@H]2Sc3ccccc3N12 ZINC000008438809 553035330 /nfs/dbraw/zinc/03/53/30/553035330.db2.gz JXOIQUZEKCZCFN-IDZRBWSNSA-N 0 0 506.652 6.489 50 30 KKEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(COc3cccc(C(F)(F)F)c3)o2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008440157 553036719 /nfs/dbraw/zinc/03/67/19/553036719.db2.gz KFGZMUMQPKHFPG-HHHXNRCGSA-N 0 0 551.565 6.515 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000008440517 553037946 /nfs/dbraw/zinc/03/79/46/553037946.db2.gz ANWCJBLXEARRES-GDLZYMKVSA-N 0 0 633.499 6.255 50 30 KKEARN CCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000008440953 553038980 /nfs/dbraw/zinc/03/89/80/553038980.db2.gz URBBGXCUNOZMED-NDEPHWFRSA-N 0 0 531.653 5.081 50 30 KKEARN Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1C ZINC000008441118 553039528 /nfs/dbraw/zinc/03/95/28/553039528.db2.gz KJAKZZBZCZNBAA-UHFFFAOYSA-N 0 0 505.687 7.932 50 30 KKEARN CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2C#N)cc1 ZINC000008441120 553039551 /nfs/dbraw/zinc/03/95/51/553039551.db2.gz JLLXOUFGEMLCPJ-UHFFFAOYSA-N 0 0 569.730 9.108 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000008441298 553040449 /nfs/dbraw/zinc/04/04/49/553040449.db2.gz ZUCYKRLNNMDDBJ-NDEPHWFRSA-N 0 0 543.620 5.731 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000008441341 553040453 /nfs/dbraw/zinc/04/04/53/553040453.db2.gz HOJPFVTTZOWPJQ-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000008441299 553040458 /nfs/dbraw/zinc/04/04/58/553040458.db2.gz XWOBBDBSFGDQLE-SSEXGKCCSA-N 0 0 563.610 5.886 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000008441514 553040978 /nfs/dbraw/zinc/04/09/78/553040978.db2.gz HQINUQOZNLTDKL-QIAHQPDOSA-N 0 0 555.627 5.355 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccccc2Br)c(C)s1 ZINC000008441714 553041921 /nfs/dbraw/zinc/04/19/21/553041921.db2.gz GHUBRRXCXRIRDP-HSZRJFAPSA-N 0 0 502.430 5.539 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441793 553042427 /nfs/dbraw/zinc/04/24/27/553042427.db2.gz FRORCDZKYOITND-SSEXGKCCSA-N 0 0 617.752 8.636 50 30 KKEARN CCc1sc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 ZINC000008441841 553042712 /nfs/dbraw/zinc/04/27/12/553042712.db2.gz UAFXIKWUZGPBBL-DEOSSOPVSA-N 0 0 516.457 5.793 50 30 KKEARN CCCCCCCCS(=O)(=O)C[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008442351 553043357 /nfs/dbraw/zinc/04/33/57/553043357.db2.gz CKRGGBHFICVCLL-AREMUKBSSA-N 0 0 536.763 6.824 50 30 KKEARN CCOC(=O)c1c(CSc2nc(C)c(CC(=O)c3ccccc3)c(C)c2C#N)oc2ccc(O)cc21 ZINC000008442766 553044279 /nfs/dbraw/zinc/04/42/79/553044279.db2.gz UMPVDKLBEPIBPK-UHFFFAOYSA-N 0 0 500.576 5.916 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/C(C)=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000008442881 553044669 /nfs/dbraw/zinc/04/46/69/553044669.db2.gz HVSOHNRNWPZFBW-GXHLCREISA-N 0 0 544.254 5.840 50 30 KKEARN CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 ZINC000008442961 553044743 /nfs/dbraw/zinc/04/47/43/553044743.db2.gz SICKUEWAUAZJEE-XORFNKKDSA-N 0 0 527.580 6.111 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2nc3cc(C)c(C)cc3n2c1=O ZINC000008443315 553046065 /nfs/dbraw/zinc/04/60/65/553046065.db2.gz OILUXMZKCSGURB-GIJQJNRQSA-N 0 0 520.246 5.164 50 30 KKEARN CCCCOc1c(Cl)cc(/C=C2\CC/C(=C\c3cc(Cl)c(OCCCC)c(OC)c3)C2=O)cc1OC ZINC000008444048 553048997 /nfs/dbraw/zinc/04/89/97/553048997.db2.gz PQPPIKGFODPRDE-JFMUQQRKSA-N 0 0 533.492 8.198 50 30 KKEARN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000008444066 553048999 /nfs/dbraw/zinc/04/89/99/553048999.db2.gz IJBJLRXIGQWDIZ-OOXUFLSTSA-N 0 0 514.625 7.186 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccccc1OCC ZINC000008444062 553049030 /nfs/dbraw/zinc/04/90/30/553049030.db2.gz OAMRIZUYZGDHNX-WOPWWUTRSA-N 0 0 538.688 7.575 50 30 KKEARN COc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(OC(C)=O)c(OC)c3)C2=O)cc(Cl)c1OC(C)=O ZINC000008444030 553049058 /nfs/dbraw/zinc/04/90/58/553049058.db2.gz FTARXZMKTPCRCQ-ZEELXFFVSA-N 0 0 505.350 5.691 50 30 KKEARN CCCOc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)cc3)CC2=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000008444108 553049287 /nfs/dbraw/zinc/04/92/87/553049287.db2.gz MUBHCCUBTAOKDO-CYFIQEHSSA-N 0 0 558.678 7.698 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008444368 553050164 /nfs/dbraw/zinc/05/01/64/553050164.db2.gz BHWOUSAPMNWZHY-SSEXGKCCSA-N 0 0 533.584 7.312 50 30 KKEARN CCOc1cc(/C=C2\CCC/C(=C/c3cc(OCC)c(OC)cc3Br)C2=O)c(Br)cc1OC ZINC000008444392 553050280 /nfs/dbraw/zinc/05/02/80/553050280.db2.gz FNUJYQFQZWNYQG-VRNBXGKJSA-N 0 0 580.313 7.246 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3OCc3ccccc3)CC(=O)C2[C@H]1c1ccccc1)C(F)(F)F ZINC000008445060 553052904 /nfs/dbraw/zinc/05/29/04/553052904.db2.gz ALUUFLRYCQOAEX-NRUKRWIHSA-N 0 0 568.595 7.729 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000008445789 553054931 /nfs/dbraw/zinc/05/49/31/553054931.db2.gz SQGJJQUDEZWURR-UHFFFAOYSA-N 0 0 562.094 8.406 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2C#N)cc1 ZINC000008445870 553055130 /nfs/dbraw/zinc/05/51/30/553055130.db2.gz CHJXAISTNOFARB-UHFFFAOYSA-N 0 0 545.639 8.258 50 30 KKEARN COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCC(=O)Nc2ccccc2Cl)c1C#N ZINC000008445842 553055150 /nfs/dbraw/zinc/05/51/50/553055150.db2.gz VLMFBQUMZOWMKN-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN CCCCCCCCCCCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1CC ZINC000008445918 553055345 /nfs/dbraw/zinc/05/53/45/553055345.db2.gz ZCAHGKJABWASLL-UHFFFAOYSA-N 0 0 520.743 7.799 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(Cl)c1Cl ZINC000008450313 553058033 /nfs/dbraw/zinc/05/80/33/553058033.db2.gz DBDXBVNBSQCNPE-NDEPHWFRSA-N 0 0 671.419 7.981 50 30 KKEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000008450286 553058043 /nfs/dbraw/zinc/05/80/43/553058043.db2.gz CHCYCPQGPFJEAA-PMERELPUSA-N 0 0 578.116 6.890 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C2=N)S1 ZINC000008450606 553058729 /nfs/dbraw/zinc/05/87/29/553058729.db2.gz NOTUSUPHERBUOH-IUWMJDHMSA-N 0 0 527.694 7.008 50 30 KKEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008450877 553059429 /nfs/dbraw/zinc/05/94/29/553059429.db2.gz ZREZDRVSQVMIAQ-ZKEKZPBLSA-N 0 0 694.757 5.702 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008450861 553059432 /nfs/dbraw/zinc/05/94/32/553059432.db2.gz ZQFLMJNTMHUAJG-JPZYQRIQSA-N 0 0 544.051 7.729 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008450850 553059460 /nfs/dbraw/zinc/05/94/60/553059460.db2.gz AABSDELTGRHGBY-NLGDKJDOSA-N 0 0 529.596 7.118 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CCC3)c(C#N)c1C ZINC000008451146 553060388 /nfs/dbraw/zinc/06/03/88/553060388.db2.gz GAWVAOVFASVDOJ-UHFFFAOYSA-N 0 0 502.621 5.258 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)c(OC)c1 ZINC000008451243 553060522 /nfs/dbraw/zinc/06/05/22/553060522.db2.gz CLYMMOAXWOXDRC-UHFFFAOYSA-N 0 0 558.607 6.199 50 30 KKEARN Cc1ccc(OCCn2cc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c3ccccc32)c(C)c1 ZINC000008451368 553060760 /nfs/dbraw/zinc/06/07/60/553060760.db2.gz HOOIDKRPCXUPRV-AJBULDERSA-N 0 0 524.673 5.169 50 30 KKEARN Cc1ccccc1OCCn1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21 ZINC000008451374 553060795 /nfs/dbraw/zinc/06/07/95/553060795.db2.gz RFLJPVNKGNAHFO-WEMUVCOSSA-N 0 0 538.700 5.640 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccccc1Cl ZINC000008451376 553060964 /nfs/dbraw/zinc/06/09/64/553060964.db2.gz BIAYQJPCBARAHL-UZWMFBFFSA-N 0 0 543.119 6.263 50 30 KKEARN N#Cc1ccc(COc2ccc(Cl)cc2/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000008451581 553061730 /nfs/dbraw/zinc/06/17/30/553061730.db2.gz GJECBETZNPUZLM-OHUYPAJKSA-N 0 0 532.109 7.544 50 30 KKEARN CCCCCCCCCCCCCC(=O)Oc1ccc(OC(=O)CCCCCCCCCCCCC)cc1 ZINC000008452330 553063584 /nfs/dbraw/zinc/06/35/84/553063584.db2.gz CHOOOGGVEUSLKQ-UHFFFAOYSA-N 0 0 530.834 10.900 50 30 KKEARN CCN1c2ccc([N+](=O)[O-])cc2/C(=C2/S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)C1=O ZINC000008452679 553064168 /nfs/dbraw/zinc/06/41/68/553064168.db2.gz IYUYDVXZUQOKCV-XNCFIDCASA-N 0 0 526.618 6.374 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3/c4cc(Br)cc(Br)c4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452880 553065259 /nfs/dbraw/zinc/06/52/59/553065259.db2.gz POHGMKJZFJOKSD-APQOXAAPSA-N 0 0 713.404 6.720 50 30 KKEARN COc1cc(OC)nc(Oc2c(C(=O)O/N=C(\c3ccccc3)c3cccc(F)c3)ccc3ccccc32)n1 ZINC000008453537 553066191 /nfs/dbraw/zinc/06/61/91/553066191.db2.gz QZVJHKHFGSZPMJ-DNGXXSEMSA-N 0 0 523.520 6.188 50 30 KKEARN Brc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 ZINC000008454018 553067353 /nfs/dbraw/zinc/06/73/53/553067353.db2.gz VXBZMICCRSTHGZ-QPFURMFPSA-N 0 0 507.475 8.077 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1F ZINC000008454634 553069374 /nfs/dbraw/zinc/06/93/74/553069374.db2.gz RBVUIWVCLSYSBF-QIXUAGARSA-N 0 0 544.642 7.589 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000008454697 553069532 /nfs/dbraw/zinc/06/95/32/553069532.db2.gz AYBWPKYDULKECL-GJUWUHGOSA-N 0 0 580.622 7.867 50 30 KKEARN CCc1ccc(-c2c(C)sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c2C(=O)OC)cc1 ZINC000008454795 553069834 /nfs/dbraw/zinc/06/98/34/553069834.db2.gz RSOLCIVFGKIMHJ-UHFFFAOYSA-N 0 0 703.439 8.723 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008455748 553073406 /nfs/dbraw/zinc/07/34/06/553073406.db2.gz YACALRSCCDEZAJ-NLGDKJDOSA-N 0 0 519.044 7.863 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000008455824 553073826 /nfs/dbraw/zinc/07/38/26/553073826.db2.gz ITZFUOKPWLCVBT-CZYCVGMRSA-N 0 0 554.425 7.160 50 30 KKEARN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000008461798 553075227 /nfs/dbraw/zinc/07/52/27/553075227.db2.gz HAEDYDZUBGIQJH-UHFFFAOYSA-N 0 0 635.201 7.007 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000008461831 553075400 /nfs/dbraw/zinc/07/54/00/553075400.db2.gz BUCBVWRGVLQTMW-UHFFFAOYSA-N 0 0 626.491 5.751 50 30 KKEARN CCOc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000008492250 553075885 /nfs/dbraw/zinc/07/58/85/553075885.db2.gz YJJNKLPQNXUXRA-JGRMKTMXSA-N 0 0 572.754 6.277 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000008492950 553076082 /nfs/dbraw/zinc/07/60/82/553076082.db2.gz QCKIVFFFKJWLCC-KEIPNQJHSA-N 0 0 586.140 6.692 50 30 KKEARN Clc1ccc(OCc2cccc3ccccc32)c(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 ZINC000008492734 553076122 /nfs/dbraw/zinc/07/61/22/553076122.db2.gz PUVOUVIFJAIBRT-ZCTHSVRISA-N 0 0 528.060 5.904 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000008493016 553076375 /nfs/dbraw/zinc/07/63/75/553076375.db2.gz ASXFBTVVMDXAQT-NDZAJKAJSA-N 0 0 644.596 5.145 50 30 KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c(OC)c1 ZINC000008494344 553076620 /nfs/dbraw/zinc/07/66/20/553076620.db2.gz IJZWTKAHLMXJLG-JJXZISMASA-N 0 0 568.655 5.580 50 30 KKEARN CC(C)(C)Nc1nc(=NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nc(NCc2ccccc2)[nH]1 ZINC000008566332 553078070 /nfs/dbraw/zinc/07/80/70/553078070.db2.gz LPAWIHIOCQYAIT-MBTHVWNTSA-N 0 0 520.981 5.962 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)CS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000008589858 553081483 /nfs/dbraw/zinc/08/14/83/553081483.db2.gz MAVKJXJLJAJORW-XMMPIXPASA-N 0 0 565.116 6.017 50 30 aggregator KKEARN CCOC(=O)c1cc(C#N)c(C)nc1Sc1ccccc1NC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000008616594 553102482 /nfs/dbraw/zinc/10/24/82/553102482.db2.gz OPDMDNYXVKXTNR-UHFFFAOYSA-N 0 0 532.569 6.846 50 30 KKEARN COc1nc(-c2ccc(OCc3ccccc3)cc2OCc2ccc(F)cc2)cc(-c2ccc(C)cc2)c1C#N ZINC000008618049 553102779 /nfs/dbraw/zinc/10/27/79/553102779.db2.gz VDVVEGHWYDRWSH-UHFFFAOYSA-N 0 0 530.599 7.901 50 30 KKEARN C=CCN(CCc1ccccc1)C(=NCC(=O)c1ccc(Br)cc1)SCc1ccccc1 ZINC000008617097 553102798 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NLXFXURPGNFIHB-WGOQTCKBSA-N 0 0 579.341 5.388 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008694750 553120661 /nfs/dbraw/zinc/12/06/61/553120661.db2.gz OIONKDHOYJKTLI-AJBULDERSA-N 0 0 568.638 5.937 50 30 KKEARN O=C1C(=C(NCCc2c[nH]c3ccccc23)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 ZINC000008695077 553120892 /nfs/dbraw/zinc/12/08/92/553120892.db2.gz GOURSVJCJOOHLT-GXVXDJONSA-N 0 0 561.041 6.669 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1Cl ZINC000008695517 553121887 /nfs/dbraw/zinc/12/18/87/553121887.db2.gz JWXFLYBDSNCOTQ-UXHLAJHPSA-N 0 0 546.031 5.139 50 30 KKEARN Clc1ccc(COc2ccc(Br)cc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000008695535 553121919 /nfs/dbraw/zinc/12/19/19/553121919.db2.gz ZJIPMXIQQQLGFA-FDAWAROLSA-N 0 0 592.929 7.046 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695596 553122179 /nfs/dbraw/zinc/12/21/79/553122179.db2.gz XLYVPGQDWMIFQM-ZOYWYXQUSA-N 0 0 519.044 7.863 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695595 553122212 /nfs/dbraw/zinc/12/22/12/553122212.db2.gz XLYVPGQDWMIFQM-NLGDKJDOSA-N 0 0 519.044 7.863 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008740569 553132181 /nfs/dbraw/zinc/13/21/81/553132181.db2.gz CMQIYYIWWAPCCD-DEOSSOPVSA-N 0 0 518.566 5.798 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742894 553133560 /nfs/dbraw/zinc/13/35/60/553133560.db2.gz HIQQGMXWLOOHQC-OAQYLSRUSA-N 0 0 506.605 5.720 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000008743998 553133979 /nfs/dbraw/zinc/13/39/79/553133979.db2.gz LSYABCVXXSIWDC-BVYAJCBJSA-N 0 0 509.480 5.905 50 30 KKEARN CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000008753554 553135688 /nfs/dbraw/zinc/13/56/88/553135688.db2.gz MRNQFVPVGAIMDO-YTTGMZPUSA-N 0 0 573.133 8.117 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000008753280 553135795 /nfs/dbraw/zinc/13/57/95/553135795.db2.gz FGNDYZKPCWKGSY-BWXVZPLGSA-N 0 0 604.703 6.864 50 30 KKEARN COc1ccc2c(CCNC(=NC(=O)c3ccc(Cl)cc3Cl)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000008758437 553137076 /nfs/dbraw/zinc/13/70/76/553137076.db2.gz OHRJWQYGWXGJOS-UHFFFAOYSA-N 0 0 511.413 5.331 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000008763959 553137754 /nfs/dbraw/zinc/13/77/54/553137754.db2.gz RCJGQQVJGXPWEL-UHFFFAOYSA-N 0 0 523.614 6.238 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008770838 553141027 /nfs/dbraw/zinc/14/10/27/553141027.db2.gz JYHDVSPKTPQHBR-LJAQVGFWSA-N 0 0 508.618 6.511 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1)c1ccc(Br)cc1 ZINC000008774730 553142353 /nfs/dbraw/zinc/14/23/53/553142353.db2.gz BFQUFJGZOQQVAX-JOCHJYFZSA-N 0 0 507.409 5.813 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1 ZINC000008780021 553144232 /nfs/dbraw/zinc/14/42/32/553144232.db2.gz HLBAQWCWOBLWSR-HHHXNRCGSA-N 0 0 513.590 5.328 50 30 KKEARN Cc1c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1CCOc1ccccc1 ZINC000008781225 553144578 /nfs/dbraw/zinc/14/45/78/553144578.db2.gz WDMRSBOIEVXNMN-KPQBPLAMSA-N 0 0 521.686 7.575 50 30 KKEARN O=C(/C=C\c1ccc(OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1)c1ccncc1 ZINC000008781921 553144728 /nfs/dbraw/zinc/14/47/28/553144728.db2.gz WCQPXYRPJHZUHB-UTCJRWHESA-N 0 0 516.951 5.246 50 30 KKEARN C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000008791050 553146830 /nfs/dbraw/zinc/14/68/30/553146830.db2.gz YFTBNKYGEBZLJH-AZGAKELHSA-N 0 0 510.981 5.220 50 30 biogenic KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008836990 553163438 /nfs/dbraw/zinc/16/34/38/553163438.db2.gz LCTVLKBDYNETHP-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008837154 553163784 /nfs/dbraw/zinc/16/37/84/553163784.db2.gz JEKDLRUPIOMMKS-QHCPKHFHSA-N 0 0 502.548 5.105 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845496 553165754 /nfs/dbraw/zinc/16/57/54/553165754.db2.gz UNEZYMDYIBPFIT-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1O ZINC000008846424 553166247 /nfs/dbraw/zinc/16/62/47/553166247.db2.gz XIIRRDXZDGADIA-BVZFJXPGSA-N 0 0 513.681 5.510 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846429 553166283 /nfs/dbraw/zinc/16/62/83/553166283.db2.gz ZIZNRDRXYNZBRS-JOCHJYFZSA-N 0 0 512.787 6.202 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000008846426 553166351 /nfs/dbraw/zinc/16/63/51/553166351.db2.gz 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512.223 5.076 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000008861792 553170534 /nfs/dbraw/zinc/17/05/34/553170534.db2.gz XLMHDPQBRJEPMG-WSDLNYQXSA-N 0 0 508.372 5.930 50 30 KKEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1 ZINC000008869694 553171291 /nfs/dbraw/zinc/17/12/91/553171291.db2.gz JMGKPDCQTPZRKG-VXDNOLEKSA-N 0 0 516.425 6.336 50 30 KKEARN Fc1ccc(Nc2nc(N=NCc3ccc(OCc4c(F)cccc4Cl)cc3)nc(N3CCCCC3)n2)cc1 ZINC000008872120 553172234 /nfs/dbraw/zinc/17/22/34/553172234.db2.gz FOQPXIOTYQWDTA-VTNSRFBWSA-N 0 0 550.013 6.562 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccc(F)cc1 ZINC000008872292 553172954 /nfs/dbraw/zinc/17/29/54/553172954.db2.gz SCNFWARTMRADCI-AJBULDERSA-N 0 0 547.635 5.055 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(-c4ccc(F)c(Cl)c4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872792 553174059 /nfs/dbraw/zinc/17/40/59/553174059.db2.gz XEJJACOEFDHQKC-WKULSOCRSA-N 0 0 544.934 6.766 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872786 553174099 /nfs/dbraw/zinc/17/40/99/553174099.db2.gz SRBKVGNQTMJSET-BVMLUPFRSA-N 0 0 589.443 7.897 50 30 KKEARN CCOc1ccc(CN=Nc2nc(NCc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1OCC ZINC000008872777 553174123 /nfs/dbraw/zinc/17/41/23/553174123.db2.gz HCFGRUCIMAMIAN-RDRPBHBLSA-N 0 0 528.573 5.379 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(I)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000008872840 553174297 /nfs/dbraw/zinc/17/42/97/553174297.db2.gz NOOBSIHYGAXIGM-MFKUBSTISA-N 0 0 537.365 5.418 50 30 KKEARN C=CC[C@@H](Nc1ccc(Cc2ccc(N[C@H](CC=C)c3ccc(OC)cc3)cc2)cc1)c1ccc(OC)cc1 ZINC000008885086 553176097 /nfs/dbraw/zinc/17/60/97/553176097.db2.gz UPTUBAHCBNDDGU-VSJLXWSYSA-N 0 0 518.701 8.753 50 30 KKEARN Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\OCc1ccc(F)cc1 ZINC000008888465 553176125 /nfs/dbraw/zinc/17/61/25/553176125.db2.gz VUMLPYHEDHVWPL-FAJYDZGRSA-N 0 0 515.031 6.306 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008893627 553177205 /nfs/dbraw/zinc/17/72/05/553177205.db2.gz PQCIMTSBTQLHIZ-AREMUKBSSA-N 0 0 526.658 7.002 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000008894066 553177568 /nfs/dbraw/zinc/17/75/68/553177568.db2.gz XKFVCCGIELARAP-SANMLTNESA-N 0 0 512.631 6.828 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894639 553177654 /nfs/dbraw/zinc/17/76/54/553177654.db2.gz HSOIHDZHDGSRHU-HSZRJFAPSA-N 0 0 504.633 6.492 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894598 553177720 /nfs/dbraw/zinc/17/77/20/553177720.db2.gz KXMMZJMRNFOSEM-HSZRJFAPSA-N 0 0 502.617 6.268 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008895493 553178217 /nfs/dbraw/zinc/17/82/17/553178217.db2.gz QCGANVWACSGQCV-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008896757 553179104 /nfs/dbraw/zinc/17/91/04/553179104.db2.gz XEBMCTFQOJZCQP-DEOSSOPVSA-N 0 0 519.022 6.694 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000008913844 553185542 /nfs/dbraw/zinc/18/55/42/553185542.db2.gz DXBSAVMCHPDYLQ-WRGVRERRSA-N 0 0 517.025 6.668 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000008913845 553185630 /nfs/dbraw/zinc/18/56/30/553185630.db2.gz DXBSAVMCHPDYLQ-KEEVHDRGSA-N 0 0 517.025 6.668 50 30 KKEARN C=CCN(C(=O)[C@]1(C)c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1Cc1ccc(F)cc1)c1ccccc1 ZINC000008916451 553186563 /nfs/dbraw/zinc/18/65/63/553186563.db2.gz JAKJQUFKJFDWGS-LJAQVGFWSA-N 0 0 516.956 5.676 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc(OC)c1 ZINC000008916663 553186827 /nfs/dbraw/zinc/18/68/27/553186827.db2.gz FIGNKWDRYFQGOP-UDNBHOFDSA-N 0 0 529.080 7.830 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc(OCc2ccccc2)c1 ZINC000008916667 553186853 /nfs/dbraw/zinc/18/68/53/553186853.db2.gz UNZSIFQOJYJJCQ-MGBGTMOVSA-N 0 0 528.652 7.722 50 30 KKEARN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)c5oncc5C[C@]43C)[C@H]2C1 ZINC000008917825 553187147 /nfs/dbraw/zinc/18/71/47/553187147.db2.gz YKCYCQSFKWWXPA-GFNHXPBMSA-N 0 0 507.715 6.842 50 30 biogenic KKEARN C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)C(=O)c1ccc(OC)cc1 ZINC000008917902 553187326 /nfs/dbraw/zinc/18/73/26/553187326.db2.gz MOVBUDQPVJFVRW-JQFLLDSISA-N 0 0 507.671 6.445 50 30 biogenic KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008921011 553189486 /nfs/dbraw/zinc/18/94/86/553189486.db2.gz ZRCHZUMPFRWHOT-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008921517 553189697 /nfs/dbraw/zinc/18/96/97/553189697.db2.gz FIHNUAXSLKSOLA-QHCPKHFHSA-N 0 0 516.575 5.495 50 30 KKEARN COc1cc(/C=C/C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC ZINC000008935043 553193177 /nfs/dbraw/zinc/19/31/77/553193177.db2.gz BIXYQGZCWJGXLW-JLHYYAGUSA-N 0 0 518.407 6.895 50 30 KKEARN O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc(O)c(-c2nc3ccccc3o2)c1 ZINC000008935053 553193254 /nfs/dbraw/zinc/19/32/54/553193254.db2.gz ZGGDTUPSQGPFST-PILGNNSUSA-N 0 0 502.452 8.091 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008964764 553194783 /nfs/dbraw/zinc/19/47/83/553194783.db2.gz ZOOAIEZLCAMZFL-RCRUUEGKSA-N 0 0 510.590 5.792 50 30 biogenic KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973765 553195576 /nfs/dbraw/zinc/19/55/76/553195576.db2.gz KGTNDQIIUPTCBM-DEOSSOPVSA-N 0 0 516.594 6.524 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000008974064 553195803 /nfs/dbraw/zinc/19/58/03/553195803.db2.gz RYPOAJQAEHERGM-QHCPKHFHSA-N 0 0 502.661 7.055 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008981821 553196010 /nfs/dbraw/zinc/19/60/10/553196010.db2.gz PJRQZWCKKRWEAL-QHCPKHFHSA-N 0 0 504.995 6.358 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996549 553197446 /nfs/dbraw/zinc/19/74/46/553197446.db2.gz CCLXWDFYKXNOKF-NRFANRHFSA-N 0 0 506.580 5.153 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000008996852 553197473 /nfs/dbraw/zinc/19/74/73/553197473.db2.gz HBYIJYAPFUSFEK-MUUNZHRXSA-N 0 0 506.558 6.051 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009007732 553198349 /nfs/dbraw/zinc/19/83/49/553198349.db2.gz YMAALPSYAPXXLK-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008545 553199038 /nfs/dbraw/zinc/19/90/38/553199038.db2.gz ASPBOUMPSRNIHW-JOCHJYFZSA-N 0 0 518.591 5.284 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009009202 553199312 /nfs/dbraw/zinc/19/93/12/553199312.db2.gz CZHYSERDTBYCHM-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009019479 553201010 /nfs/dbraw/zinc/20/10/10/553201010.db2.gz XFTUXURKZRVUPX-NDEPHWFRSA-N 0 0 512.650 6.501 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009019550 553201014 /nfs/dbraw/zinc/20/10/14/553201014.db2.gz HWIYMPKWFPJDDX-RUZDIDTESA-N 0 0 525.432 6.510 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009019884 553201219 /nfs/dbraw/zinc/20/12/19/553201219.db2.gz LQQPXPGJDIBOIZ-JOCHJYFZSA-N 0 0 502.405 5.161 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000009020142 553201345 /nfs/dbraw/zinc/20/13/45/553201345.db2.gz MHKQWMZHLPKYJF-GOXGLGGOSA-N 0 0 522.645 6.954 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)ccc1O ZINC000009020048 553201363 /nfs/dbraw/zinc/20/13/63/553201363.db2.gz NGHCOGBSJPOTSZ-NDEPHWFRSA-N 0 0 531.605 5.293 50 30 KKEARN Nc1ccc(Cc2ccc(/N=C3\c4ccccc4C(=O)c4ccc(NC(=O)c5ccccc5)c(O)c43)cc2)cc1 ZINC000009034185 553201849 /nfs/dbraw/zinc/20/18/49/553201849.db2.gz XZZLWBZWEDGGNS-XKMRCYARSA-N 0 0 523.592 6.531 50 30 KKEARN CCCOc1ccccc1[C@@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)CC)[C@@H]2c2ccc(OC)cc2)C1 ZINC000009041889 553202499 /nfs/dbraw/zinc/20/24/99/553202499.db2.gz MJHZXZCGVYCEKR-GHRAFVERSA-N 0 0 510.634 6.795 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000009046737 553204319 /nfs/dbraw/zinc/20/43/19/553204319.db2.gz QKEXHEXLFRRNBI-IANOAQMISA-N 0 0 525.693 7.607 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009065252 553205664 /nfs/dbraw/zinc/20/56/64/553205664.db2.gz FBJVZPXALWIJFT-VWLOTQADSA-N 0 0 514.603 6.185 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000009069864 553206782 /nfs/dbraw/zinc/20/67/82/553206782.db2.gz IYFWRMRTAFOTLU-ALQBTCKLSA-N 0 0 519.561 6.163 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccccc3OC)S/C2=N\c2ccc(F)cc2)cc1 ZINC000009075915 553207560 /nfs/dbraw/zinc/20/75/60/553207560.db2.gz FRTOFBCQWJKTOP-HZVWYJMBSA-N 0 0 507.587 5.046 50 30 KKEARN CCOc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000009082936 553208134 /nfs/dbraw/zinc/20/81/34/553208134.db2.gz WSJMPKTWOKZJSB-NRXWQBCZSA-N 0 0 503.646 6.272 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000009085894 553208146 /nfs/dbraw/zinc/20/81/46/553208146.db2.gz RCYZPWAGMRLDTE-RUZDIDTESA-N 0 0 509.989 7.337 50 30 KKEARN COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000009111072 553210277 /nfs/dbraw/zinc/21/02/77/553210277.db2.gz QMPCEUPZSSCABV-SSEXGKCCSA-N 0 0 527.621 7.021 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009124418 553212840 /nfs/dbraw/zinc/21/28/40/553212840.db2.gz BNKTYIZDSIBFQE-WHEQGISXSA-N 0 0 504.589 5.473 50 30 KKEARN CCCOc1c(Cl)cc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCCCO5)cc1OC ZINC000009130311 553213420 /nfs/dbraw/zinc/21/34/20/553213420.db2.gz JKBKQIQCXFWTDJ-NRFANRHFSA-N 0 0 522.041 6.302 50 30 KKEARN CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1Cl ZINC000009144540 553213659 /nfs/dbraw/zinc/21/36/59/553213659.db2.gz PTCVDIBNSZZZPX-UVHMKAGCSA-N 0 0 506.227 7.151 50 30 KKEARN CN(C)c1ccc(C(=NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000009144862 553213997 /nfs/dbraw/zinc/21/39/97/553213997.db2.gz HNWRNPGRRSJUSH-UHFFFAOYSA-N 0 0 509.697 7.648 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1 ZINC000009158476 553215028 /nfs/dbraw/zinc/21/50/28/553215028.db2.gz WWWMTIXUNCOECA-COWWJRFYSA-N 0 0 513.941 5.329 50 30 KKEARN COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1 ZINC000009158477 553215048 /nfs/dbraw/zinc/21/50/48/553215048.db2.gz WWWMTIXUNCOECA-YIBCAPORSA-N 0 0 513.941 5.329 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009175201 553216106 /nfs/dbraw/zinc/21/61/06/553216106.db2.gz ZKKXUEZSGRZORB-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009175898 553216189 /nfs/dbraw/zinc/21/61/89/553216189.db2.gz NWOMWZGDDXRFMX-JOCHJYFZSA-N 0 0 520.607 5.508 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009176868 553216414 /nfs/dbraw/zinc/21/64/14/553216414.db2.gz CTAJVXGSPKQGCE-HSZRJFAPSA-N 0 0 504.558 6.655 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009184930 553217022 /nfs/dbraw/zinc/21/70/22/553217022.db2.gz XFHPMUWCWMYEJP-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000009185673 553217410 /nfs/dbraw/zinc/21/74/10/553217410.db2.gz DDFLZMDHMYDWMN-JOCHJYFZSA-N 0 0 518.591 5.203 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000009186671 553217701 /nfs/dbraw/zinc/21/77/01/553217701.db2.gz JZGWQSIZYPBNHV-XTEPFMGCSA-N 0 0 519.439 7.045 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccccc1Cl)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000009190385 553218367 /nfs/dbraw/zinc/21/83/67/553218367.db2.gz URLKKHMBRGRLPA-VWLOTQADSA-N 0 0 504.936 5.099 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000009196770 553219662 /nfs/dbraw/zinc/21/96/62/553219662.db2.gz SMUHTHHGFHAPPF-WJOKGBTCSA-N 0 0 502.699 7.979 50 30 KKEARN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009210433 553220868 /nfs/dbraw/zinc/22/08/68/553220868.db2.gz DYOSUTCJOWPPFV-HSZRJFAPSA-N 0 0 507.384 5.410 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232562 553223865 /nfs/dbraw/zinc/22/38/65/553223865.db2.gz ZZIWSQCEJPVQRH-QHCPKHFHSA-N 0 0 504.539 5.544 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000009233590 553224561 /nfs/dbraw/zinc/22/45/61/553224561.db2.gz LZKOTXBCTFNLEP-SSEXGKCCSA-N 0 0 518.613 6.310 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009240971 553226331 /nfs/dbraw/zinc/22/63/31/553226331.db2.gz ZMBPYPWCLSWGER-RUZDIDTESA-N 0 0 500.595 6.959 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009246704 553227330 /nfs/dbraw/zinc/22/73/30/553227330.db2.gz WGVUHSVAFYEZBA-DLLPINGYSA-N 0 0 515.569 6.809 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000009261898 553228338 /nfs/dbraw/zinc/22/83/38/553228338.db2.gz CIUAXABDGVIMMR-QHCPKHFHSA-N 0 0 528.078 5.292 50 30 KKEARN O=C(NC1CCCCC1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009264240 553228846 /nfs/dbraw/zinc/22/88/46/553228846.db2.gz YZIKHBBHZKJNKV-WRONEBCDSA-N 0 0 516.041 7.349 50 30 KKEARN COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264329 553229096 /nfs/dbraw/zinc/22/90/96/553229096.db2.gz KGDAYBNAROWAKW-UKPGIYTDSA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)NC1CCCCC1 ZINC000009264333 553229102 /nfs/dbraw/zinc/22/91/02/553229102.db2.gz MQMNGUZGUQURNX-KEEVHDRGSA-N 0 0 511.622 6.705 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)c1c3nc(CO/N=C/c4ccccc4)nn3cnc1O2 ZINC000009266113 553229843 /nfs/dbraw/zinc/22/98/43/553229843.db2.gz PUZXRQRUDJOUFK-MDUPQVTGSA-N 0 0 503.522 5.048 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270688 553230461 /nfs/dbraw/zinc/23/04/61/553230461.db2.gz UKZSQNDIZDXEMW-OAQYLSRUSA-N 0 0 511.372 5.526 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009271176 553230507 /nfs/dbraw/zinc/23/05/07/553230507.db2.gz GWKOTAGBDGQJIZ-RUZDIDTESA-N 0 0 514.603 6.022 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271455 553231020 /nfs/dbraw/zinc/23/10/20/553231020.db2.gz SONZRYPHLNXFCZ-QHCPKHFHSA-N 0 0 516.550 5.622 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000009272119 553231471 /nfs/dbraw/zinc/23/14/71/553231471.db2.gz NFVDEKMKKGTKFI-QFIPXVFZSA-N 0 0 502.405 5.017 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000009272200 553231486 /nfs/dbraw/zinc/23/14/86/553231486.db2.gz APCVVIVNXRSBNB-HSZRJFAPSA-N 0 0 516.432 5.407 50 30 KKEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)c(C)c1 ZINC000009272183 553231492 /nfs/dbraw/zinc/23/14/92/553231492.db2.gz GKSAFSQKMVFPRQ-NDEPHWFRSA-N 0 0 530.621 5.755 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009272384 553231785 /nfs/dbraw/zinc/23/17/85/553231785.db2.gz ZGQZRMSPKSEZQJ-HSZRJFAPSA-N 0 0 523.427 6.641 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000009272731 553231984 /nfs/dbraw/zinc/23/19/84/553231984.db2.gz JIMSGZDZXWQERB-HHHXNRCGSA-N 0 0 516.594 5.308 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275382 553232799 /nfs/dbraw/zinc/23/27/99/553232799.db2.gz UAAOEMMZVQLXNB-QFIPXVFZSA-N 0 0 504.539 5.544 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000009280138 553232805 /nfs/dbraw/zinc/23/28/05/553232805.db2.gz SRRBUSGIVCPCQF-XMMPIXPASA-N 0 0 521.411 5.718 50 30 KKEARN CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccncc3)C4=O)c2c1 ZINC000009282598 553234106 /nfs/dbraw/zinc/23/41/06/553234106.db2.gz ZHTALUQDOCRXES-YUMHPJSZSA-N 0 0 503.510 6.729 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290920 553234498 /nfs/dbraw/zinc/23/44/98/553234498.db2.gz QHENEMAXFPOTIF-IVCQMTBJSA-N 0 0 512.587 5.720 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292008 553234826 /nfs/dbraw/zinc/23/48/26/553234826.db2.gz ADUXSDFHCMJVAK-IZHWHUGBSA-N 0 0 517.006 6.364 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292010 553234857 /nfs/dbraw/zinc/23/48/57/553234857.db2.gz ADUXSDFHCMJVAK-MYYSRTQBSA-N 0 0 517.006 6.364 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292780 553235046 /nfs/dbraw/zinc/23/50/46/553235046.db2.gz ZFKZQAFBBAFMGH-GDJIYFAZSA-N 0 0 528.605 5.371 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009292796 553235056 /nfs/dbraw/zinc/23/50/56/553235056.db2.gz CIZDZDPOHMSWPQ-PIKZIKFNSA-N 0 0 529.637 5.444 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292779 553235138 /nfs/dbraw/zinc/23/51/38/553235138.db2.gz ZFKZQAFBBAFMGH-WHLCRQNOSA-N 0 0 528.605 5.371 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 ZINC000009307225 553237003 /nfs/dbraw/zinc/23/70/03/553237003.db2.gz SUIIOQUYQIMGKC-UHFFFAOYSA-N 0 0 500.468 6.208 50 30 KKEARN C=CCNC(=S)N/N=C/c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(OCC)c1 ZINC000009310019 553238749 /nfs/dbraw/zinc/23/87/49/553238749.db2.gz FMKMTPYSCGLWGE-NDZAJKAJSA-N 0 0 516.107 6.228 50 30 KKEARN FC(F)(F)c1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1 ZINC000009311762 553239672 /nfs/dbraw/zinc/23/96/72/553239672.db2.gz YFUSIASEJKBXET-KBVAKVRCSA-N 0 0 515.499 7.084 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000009312458 553240362 /nfs/dbraw/zinc/24/03/62/553240362.db2.gz DUXFRUFYODTBKZ-XHCCPWGMSA-N 0 0 523.626 5.202 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1OCc1ccccc1 ZINC000009329635 553242417 /nfs/dbraw/zinc/24/24/17/553242417.db2.gz KLZYCTNVAPWYRW-XIFFEERXSA-N 0 0 528.652 7.722 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009349945 553245049 /nfs/dbraw/zinc/24/50/49/553245049.db2.gz KNXRNMUDDVMPGX-XRHLQHRESA-N 0 0 524.642 6.582 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009353412 553245528 /nfs/dbraw/zinc/24/55/28/553245528.db2.gz JUPFWXXUHWOJIJ-MHZLTWQESA-N 0 0 516.594 5.365 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000009353416 553245565 /nfs/dbraw/zinc/24/55/65/553245565.db2.gz CLAMJFSJTARIRP-AREMUKBSSA-N 0 0 522.501 8.007 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccccc2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000009354809 553246187 /nfs/dbraw/zinc/24/61/87/553246187.db2.gz JIWCYGVWCDOPFJ-UHFFFAOYSA-N 0 0 505.643 6.809 50 30 KKEARN COc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1Br ZINC000009356880 553246748 /nfs/dbraw/zinc/24/67/48/553246748.db2.gz PQSFKKNPAJDAOW-KKUQBAQOSA-N 0 0 510.391 5.742 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009357754 553247206 /nfs/dbraw/zinc/24/72/06/553247206.db2.gz FYXOWJQXQQLZIT-VWLOTQADSA-N 0 0 501.539 5.112 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000009357950 553247229 /nfs/dbraw/zinc/24/72/29/553247229.db2.gz VDNPRBBEBHMMNR-NPMXOYFQSA-N 0 0 502.617 6.081 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000009357836 553247260 /nfs/dbraw/zinc/24/72/60/553247260.db2.gz WCSFUJRSXGWBGX-RBTNQOKQSA-N 0 0 529.637 5.444 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009357978 553247275 /nfs/dbraw/zinc/24/72/75/553247275.db2.gz SQCDCXLICBCWAH-CHJDUVSTSA-N 0 0 525.645 6.400 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000009359128 553247945 /nfs/dbraw/zinc/24/79/45/553247945.db2.gz UCJTXAWRJQWBFQ-NDEPHWFRSA-N 0 0 508.549 5.887 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21 ZINC000009359287 553247952 /nfs/dbraw/zinc/24/79/52/553247952.db2.gz YNHHWQINYASXKB-WWQFTLRMSA-N 0 0 513.937 5.182 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1cccc(Cl)c1)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000009359790 553248261 /nfs/dbraw/zinc/24/82/61/553248261.db2.gz IIXZAEDXNHJDCJ-RUZDIDTESA-N 0 0 504.936 5.099 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009374223 553250651 /nfs/dbraw/zinc/25/06/51/553250651.db2.gz OUNRNXBXNXWTEN-MUUNZHRXSA-N 0 0 515.606 6.191 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009374263 553250680 /nfs/dbraw/zinc/25/06/80/553250680.db2.gz HXNHKWPZMVCTRT-MYYSRTQBSA-N 0 0 500.551 5.850 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009374906 553251198 /nfs/dbraw/zinc/25/11/98/553251198.db2.gz MFJVWRHSOJOOPA-ZLOXQWCVSA-N 0 0 518.978 5.762 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009379782 553251571 /nfs/dbraw/zinc/25/15/71/553251571.db2.gz OFNQBGQEEQSIMU-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000009380017 553251584 /nfs/dbraw/zinc/25/15/84/553251584.db2.gz FSHLKZFRDMHFKR-VWLOTQADSA-N 0 0 500.561 6.961 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc1OC ZINC000009380008 553251608 /nfs/dbraw/zinc/25/16/08/553251608.db2.gz VMMHRLAQOLUHGZ-JIYROHSKSA-N 0 0 524.661 6.922 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009380200 553251807 /nfs/dbraw/zinc/25/18/07/553251807.db2.gz JVALQYIPCJGNNO-OAQYLSRUSA-N 0 0 505.393 6.150 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424841 553258935 /nfs/dbraw/zinc/25/89/35/553258935.db2.gz PDYAVSCHANAQMO-MUUNZHRXSA-N 0 0 513.590 5.458 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000009425078 553259119 /nfs/dbraw/zinc/25/91/19/553259119.db2.gz FYFYHCNKNOAVND-HHHXNRCGSA-N 0 0 514.578 5.200 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009425145 553259340 /nfs/dbraw/zinc/25/93/40/553259340.db2.gz SDVNMBVHLMZKSR-NDEPHWFRSA-N 0 0 531.605 5.206 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009427530 553259846 /nfs/dbraw/zinc/25/98/46/553259846.db2.gz COLFFLHIHXVIMJ-KPURRNSFSA-N 0 0 510.565 5.923 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009427388 553259881 /nfs/dbraw/zinc/25/98/81/553259881.db2.gz IQNFUEKLUZXRPT-MHZLTWQESA-N 0 0 526.658 7.136 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000009435204 553264103 /nfs/dbraw/zinc/26/41/03/553264103.db2.gz YVBQQIOZDOUOJG-DLLPINGYSA-N 0 0 515.569 6.805 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000009435129 553264138 /nfs/dbraw/zinc/26/41/38/553264138.db2.gz FLTKCNHAFRCLCN-DWACAAAGSA-N 0 0 521.679 5.752 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000009452443 553266125 /nfs/dbraw/zinc/26/61/25/553266125.db2.gz XHIHZJQZQIJPBJ-LJAQVGFWSA-N 0 0 527.617 5.848 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009461527 553267775 /nfs/dbraw/zinc/26/77/75/553267775.db2.gz LQDRESWYGCINLT-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009463383 553268881 /nfs/dbraw/zinc/26/88/81/553268881.db2.gz GGKSODFHCKOUPZ-VWLOTQADSA-N 0 0 512.587 5.776 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000009463225 553268931 /nfs/dbraw/zinc/26/89/31/553268931.db2.gz BQUSZPUTVOPIQK-RUZDIDTESA-N 0 0 511.603 5.825 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000009464827 553269405 /nfs/dbraw/zinc/26/94/05/553269405.db2.gz KEFQSGHBHPCFTH-XHCCPWGMSA-N 0 0 501.579 5.951 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009471271 553269812 /nfs/dbraw/zinc/26/98/12/553269812.db2.gz ACWIKVNBVZBESP-QHCPKHFHSA-N 0 0 518.978 5.812 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009477527 553272426 /nfs/dbraw/zinc/27/24/26/553272426.db2.gz VDOYSUNREOGKOQ-NDEPHWFRSA-N 0 0 525.004 6.401 50 30 KKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)Nc2ccccc2Cl)cc1 ZINC000009483191 553272617 /nfs/dbraw/zinc/27/26/17/553272617.db2.gz QOSVWDFFZLHVKJ-LJAQVGFWSA-N 0 0 500.042 6.904 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009507911 553275959 /nfs/dbraw/zinc/27/59/59/553275959.db2.gz VVAAFNCAKUZREJ-MHZLTWQESA-N 0 0 513.977 6.599 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009508057 553276031 /nfs/dbraw/zinc/27/60/31/553276031.db2.gz HXBGASXQYLUKRE-HHHXNRCGSA-N 0 0 513.977 6.599 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl ZINC000009553790 553278762 /nfs/dbraw/zinc/27/87/62/553278762.db2.gz FSDACEJPSLWYIW-DUPRQXJUSA-N 0 0 507.055 7.330 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000009554159 553278863 /nfs/dbraw/zinc/27/88/63/553278863.db2.gz KGYNGDXWAJYGKD-QXNWPYRLSA-N 0 0 515.569 6.805 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(-c5ccc6ccccc6n5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009583941 553282349 /nfs/dbraw/zinc/28/23/49/553282349.db2.gz OCMVIYLWFGDHPI-DEOSSOPVSA-N 0 0 503.562 5.516 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)cc2)cc1OC ZINC000009598248 553284131 /nfs/dbraw/zinc/28/41/31/553284131.db2.gz VDTQLSNGNXLDAL-QXNWPYRLSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000009598247 553284181 /nfs/dbraw/zinc/28/41/81/553284181.db2.gz VDTQLSNGNXLDAL-DLLPINGYSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2)cc1OC ZINC000009598300 553284332 /nfs/dbraw/zinc/28/43/32/553284332.db2.gz QXNMNRVRAAINPM-YUDQIZAISA-N 0 0 508.618 6.013 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(F)cc2)cc1OC ZINC000009598321 553284519 /nfs/dbraw/zinc/28/45/19/553284519.db2.gz CNAJNCWVRIMXPK-SMSORMJASA-N 0 0 526.608 6.152 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(C)o2)cc1 ZINC000009598339 553284538 /nfs/dbraw/zinc/28/45/38/553284538.db2.gz OXEVCTJTKMBJSG-KEEVHDRGSA-N 0 0 528.605 5.614 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000009601038 553286477 /nfs/dbraw/zinc/28/64/77/553286477.db2.gz GQLQRRCRASNKLL-XVODIUIHSA-N 0 0 507.633 8.486 50 30 KKEARN COc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009601767 553286817 /nfs/dbraw/zinc/28/68/17/553286817.db2.gz ADSSJJCETHAQDM-XDBZFTIUSA-N 0 0 514.578 5.616 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000009614548 553290054 /nfs/dbraw/zinc/29/00/54/553290054.db2.gz ZPADWLPRESLLSX-PCUWGRHASA-N 0 0 508.412 5.881 50 30 KKEARN C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)c(OCC)c2)SC1=S ZINC000009660149 553293212 /nfs/dbraw/zinc/29/32/12/553293212.db2.gz FOBXSSPBMMQLOT-NCELDCMTSA-N 0 0 511.709 6.618 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O ZINC000009680310 553296570 /nfs/dbraw/zinc/29/65/70/553296570.db2.gz ZCFRLLZAVWCIRM-WINIVTDRSA-N 0 0 522.041 6.292 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1ccc(Cl)cc1)N2 ZINC000009680360 553296581 /nfs/dbraw/zinc/29/65/81/553296581.db2.gz MMDJCGGJGJRQCI-DLLPINGYSA-N 0 0 505.017 7.551 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H](c1ccc(Cl)cc1)N2 ZINC000009680362 553296623 /nfs/dbraw/zinc/29/66/23/553296623.db2.gz MMDJCGGJGJRQCI-QXNWPYRLSA-N 0 0 505.017 7.551 50 30 KKEARN O=C(c1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F ZINC000009720987 553300921 /nfs/dbraw/zinc/30/09/21/553300921.db2.gz ZUQSHKMTXZJWIX-WKRVVKTRSA-N 0 0 523.007 7.694 50 30 KKEARN CCOc1cc(/C=N/NC(=S)NCc2ccccc2)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000009724212 553301264 /nfs/dbraw/zinc/30/12/64/553301264.db2.gz QQRPOJZYKBYWDJ-UXHLAJHPSA-N 0 0 512.075 5.812 50 30 KKEARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009763611 553303410 /nfs/dbraw/zinc/30/34/10/553303410.db2.gz PCGYAJUJBMINOT-WQQUIMEHSA-N 0 0 501.933 6.258 50 30 KKEARN CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cccc(C(F)(F)F)c1 ZINC000009763498 553303412 /nfs/dbraw/zinc/30/34/12/553303412.db2.gz SRQLHVLUZVLIRI-GEFJSDSRSA-N 0 0 521.561 5.643 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009775643 553304443 /nfs/dbraw/zinc/30/44/43/553304443.db2.gz UDXJRNKQCSLOQP-UHFFFAOYSA-N 0 0 511.662 6.980 50 30 KKEARN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H](c1ccc3c(c1)OCO3)N2 ZINC000009779495 553307400 /nfs/dbraw/zinc/30/74/00/553307400.db2.gz UTKOMRICIMQFRZ-BNHRFMORSA-N 0 0 514.581 6.626 50 30 KKEARN CN(C)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009781058 553307789 /nfs/dbraw/zinc/30/77/89/553307789.db2.gz XCDOGDYAMCJJDD-JOCHJYFZSA-N 0 0 504.631 5.880 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(S[C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)cc1 ZINC000009782855 553308211 /nfs/dbraw/zinc/30/82/11/553308211.db2.gz UQKPYERPZDHLOW-MHZLTWQESA-N 0 0 505.599 6.029 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1OCc1ccccc1 ZINC000009805266 553308308 /nfs/dbraw/zinc/30/83/08/553308308.db2.gz UODGOWWSTVMVNK-SFRLIIPVSA-N 0 0 516.641 7.562 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OCc1ccccc1 ZINC000009805267 553308329 /nfs/dbraw/zinc/30/83/29/553308329.db2.gz UODGOWWSTVMVNK-JKFCTSDTSA-N 0 0 516.641 7.562 50 30 KKEARN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12 ZINC000009805285 553308627 /nfs/dbraw/zinc/30/86/27/553308627.db2.gz GDOOCSNVPWJKMF-CYFIQEHSSA-N 0 0 508.621 7.881 50 30 KKEARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000009846335 553311663 /nfs/dbraw/zinc/31/16/63/553311663.db2.gz VFEBUITVKLTOBP-MLNTVTBVSA-N 0 0 508.043 6.126 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccccc2)cc1OC ZINC000009846351 553311684 /nfs/dbraw/zinc/31/16/84/553311684.db2.gz IQXHZXGFSPEMPA-FYUFQVDVSA-N 0 0 517.651 5.524 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CCc1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000009846565 553312055 /nfs/dbraw/zinc/31/20/55/553312055.db2.gz QBVYNCAZOBZGSP-MUUNZHRXSA-N 0 0 501.468 7.308 50 30 KKEARN O=C(Oc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c1)c1ccc([N+](=O)[O-])cc1 ZINC000009849844 553312435 /nfs/dbraw/zinc/31/24/35/553312435.db2.gz DJPCTDNXHIIIMO-MUUNZHRXSA-N 0 0 506.539 6.681 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccc(Br)cc3s2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861090 553313916 /nfs/dbraw/zinc/31/39/16/553313916.db2.gz XBUJSHMBLRZGTG-QFIPXVFZSA-N 0 0 522.468 6.302 50 30 KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000009861124 553313988 /nfs/dbraw/zinc/31/39/88/553313988.db2.gz RYMYTNSOLAHEHG-QFIPXVFZSA-N 0 0 522.468 6.302 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2cccc(OC)c2OC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000009907634 553316013 /nfs/dbraw/zinc/31/60/13/553316013.db2.gz DUJSRYFOMYCNSA-ZXAKHJNPSA-N 0 0 506.668 6.928 50 30 KKEARN COc1ccc(NC(=O)c2c(/N=C/c3ccc(OC)c(OC)c3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000009907687 553316218 /nfs/dbraw/zinc/31/62/18/553316218.db2.gz AAHLZXYRXAJAAG-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COc1cc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)cc(OC)c1OC ZINC000009956774 553320225 /nfs/dbraw/zinc/32/02/25/553320225.db2.gz XXIGWYZFBKPLFU-FMIVXFBMSA-N 0 0 520.379 5.880 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982748 553323407 /nfs/dbraw/zinc/32/34/07/553323407.db2.gz ZKPAKYQCHFQRQW-BCHFMIIMSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982725 553323417 /nfs/dbraw/zinc/32/34/17/553323417.db2.gz FTPAWFQNQPMYFF-IBVKSMDESA-N 0 0 500.689 6.779 50 30 KKEARN N#Cc1c(SCCS(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2cccs2)cc1-c1ccccc1 ZINC000009993121 553323749 /nfs/dbraw/zinc/32/37/49/553323749.db2.gz XCVVJVDPEKQXIK-UHFFFAOYSA-N 0 0 511.093 6.709 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(C)sc1C ZINC000009993474 553323957 /nfs/dbraw/zinc/32/39/57/553323957.db2.gz XGJOMJMVUSVRLG-BUUDZMLXSA-N 0 0 523.651 5.087 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000010007700 553325459 /nfs/dbraw/zinc/32/54/59/553325459.db2.gz FIZMNUCSKDOFNO-MYUZEXMDSA-N 0 0 515.631 6.010 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000010013584 553326155 /nfs/dbraw/zinc/32/61/55/553326155.db2.gz NSOKTZRQSJAWKR-XHCCPWGMSA-N 0 0 504.964 6.619 50 30 KKEARN CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000010013673 553326162 /nfs/dbraw/zinc/32/61/62/553326162.db2.gz FLLKDHJWGLSJQV-QFIPXVFZSA-N 0 0 501.371 5.970 50 30 KKEARN CC1C/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000012192090 553353640 /nfs/dbraw/zinc/35/36/40/553353640.db2.gz HJJYJYVBWSWCAA-LPFJTETCSA-N 0 0 510.502 7.489 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000012193741 553353864 /nfs/dbraw/zinc/35/38/64/553353864.db2.gz DZAGCZWOVSFLMW-IXCJQBJRSA-N 0 0 517.423 6.821 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000012193735 553353927 /nfs/dbraw/zinc/35/39/27/553353927.db2.gz DZAGCZWOVSFLMW-IAPPQJPRSA-N 0 0 517.423 6.821 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000012285160 553356618 /nfs/dbraw/zinc/35/66/18/553356618.db2.gz PMIGUPVYYINQPF-XHPQRKPJSA-N 0 0 503.645 6.287 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000012349390 553358829 /nfs/dbraw/zinc/35/88/29/553358829.db2.gz UTFSEPCCTWLGDY-LGGPFLRQSA-N 0 0 526.036 6.810 50 30 KKEARN COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349652 553359124 /nfs/dbraw/zinc/35/91/24/553359124.db2.gz VFPRBDBGADWPHQ-WRGVRERRSA-N 0 0 509.627 7.516 50 30 KKEARN Cc1sc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1 ZINC000012372417 553360871 /nfs/dbraw/zinc/36/08/71/553360871.db2.gz AUIIZLJHYBBTRF-QFIPXVFZSA-N 0 0 523.709 5.389 50 30 KKEARN O=C1/C(=C/c2ccc(Cl)cc2Cl)CN(Cc2ccccc2)C/C1=C/c1ccc(Cl)cc1Cl ZINC000012376400 553361425 /nfs/dbraw/zinc/36/14/25/553361425.db2.gz OWZHBEXAKKWMCT-NGHQTVFFSA-N 0 0 503.256 7.852 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(Br)s1 ZINC000012384446 553362445 /nfs/dbraw/zinc/36/24/45/553362445.db2.gz RJDLKVAAZDRSIV-DEOSSOPVSA-N 0 0 507.453 6.967 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC)cc3)S2)cc1 ZINC000012411022 553363154 /nfs/dbraw/zinc/36/31/54/553363154.db2.gz WZWWQEWEOHELQN-SUYRBLAESA-N 0 0 517.607 5.032 50 30 KKEARN CCOC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 ZINC000012412148 553363807 /nfs/dbraw/zinc/36/38/07/553363807.db2.gz DJRWPBVNPHCKSH-ORIPQNMZSA-N 0 0 519.557 5.559 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000012413037 553364298 /nfs/dbraw/zinc/36/42/98/553364298.db2.gz NUIKJYLRGYAXQU-XXAUWVGASA-N 0 0 519.594 5.606 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000012413079 553364309 /nfs/dbraw/zinc/36/43/09/553364309.db2.gz PTUJWBQBZIAJDM-VKIDHGPPSA-N 0 0 519.594 5.606 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000012416365 553365081 /nfs/dbraw/zinc/36/50/81/553365081.db2.gz DPRVUXBHNBYQCX-HFJWLAOPSA-N 0 0 500.620 5.766 50 30 KKEARN COc1cc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC ZINC000012418459 553365438 /nfs/dbraw/zinc/36/54/38/553365438.db2.gz JGABKNAYCZRLJE-FNCQTZNRSA-N 0 0 518.562 5.530 50 30 biogenic,in-vitro KKEARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)C2=C3SC=C(c4ccccc4)N3CCCC2)c1 ZINC000012555372 553393252 /nfs/dbraw/zinc/39/32/52/553393252.db2.gz LOZUGOCFCUQPLU-UHFFFAOYSA-N 0 0 503.089 5.996 50 30 KKEARN COc1cc([C@H]2c3c(C)nn(-c4cc(C(F)(F)F)ccc4Cl)c3NC3=C2C(=O)CCC3)ccc1O ZINC000012555266 553393308 /nfs/dbraw/zinc/39/33/08/553393308.db2.gz LZFIICRXZASLBD-QFIPXVFZSA-N 0 0 503.908 6.132 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)NC(C)(C)c2cccc(C(=C)C)c2)c1 ZINC000012562966 553395338 /nfs/dbraw/zinc/39/53/38/553395338.db2.gz VYKTWBLNTQIMDS-HNRBIFIRSA-N 0 0 516.730 6.833 50 30 KKEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000012600514 553401358 /nfs/dbraw/zinc/40/13/58/553401358.db2.gz XJTYVOFLNUTSTK-UHFFFAOYSA-N 0 0 521.064 5.032 50 30 KKEARN O=C(NC1=N/C(=N/c2ccccc2F)c2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000012604301 553402212 /nfs/dbraw/zinc/40/22/12/553402212.db2.gz SJVIHUVBMRCWCW-UHFFFAOYSA-N 0 0 504.952 6.963 50 30 KKEARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n(-c3ccccc3)c(=O)c2c1C ZINC000012625200 553404896 /nfs/dbraw/zinc/40/48/96/553404896.db2.gz WRRWGBFJJRWWGW-UHFFFAOYSA-N 0 0 520.705 5.997 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000012652399 553410005 /nfs/dbraw/zinc/41/00/05/553410005.db2.gz DFCSYOZGSFJHOZ-ROTAYESASA-N 0 0 520.585 6.511 50 30 KKEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652417 553410061 /nfs/dbraw/zinc/41/00/61/553410061.db2.gz DBOUWILPLQGQAT-QTEAWJPNSA-N 0 0 510.615 6.493 50 30 KKEARN COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]45C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000012658660 553411281 /nfs/dbraw/zinc/41/12/81/553411281.db2.gz WLYQWRSVIUXFMI-ZGAMUOTCSA-N 0 0 524.742 6.992 50 30 biogenic KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000012860114 553422830 /nfs/dbraw/zinc/42/28/30/553422830.db2.gz OMOSHZUZKWOIGJ-UHFFFAOYSA-N 0 0 560.579 5.797 50 30 KKEARN CN(c1ncc(C(F)(F)F)cc1Cl)n1cc(C(=O)/C=C/Nc2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000012949790 553428130 /nfs/dbraw/zinc/42/81/30/553428130.db2.gz ZKSULBODBQNSEI-ZHACJKMWSA-N 0 0 608.379 5.626 50 30 KKEARN Cc1ccc(/C(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)=N\OCc2ccc(Cl)cc2Cl)cc1 ZINC000012954280 553429164 /nfs/dbraw/zinc/42/91/64/553429164.db2.gz WJJOBYKXLFEHQY-FSUXQIQLSA-N 0 0 593.860 8.960 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(Sc3ccc(Br)cc3)n2)cc1 ZINC000012955197 553429368 /nfs/dbraw/zinc/42/93/68/553429368.db2.gz XHMZUKYKFMFCED-UHFFFAOYSA-N 0 0 526.286 8.816 50 30 KKEARN Cn1nc(C(F)(F)F)c(CO/N=C/c2c(Cl)cccc2Cl)c1Sc1ccc(Br)cc1 ZINC000012955709 553429549 /nfs/dbraw/zinc/42/95/49/553429549.db2.gz HMKVUKSIFJVFQX-JQAMDZJQSA-N 0 0 539.204 7.210 50 30 KKEARN N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)[C@H](/C=N/OCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012956107 553429574 /nfs/dbraw/zinc/42/95/74/553429574.db2.gz ZDFZGKTZDOPCCK-RCNPKTNESA-N 0 0 562.784 6.650 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1SCc1cccc(C(F)(F)F)c1 ZINC000012956745 553429734 /nfs/dbraw/zinc/42/97/34/553429734.db2.gz WPAADOSEUICRQK-IPBVOBEMSA-N 0 0 515.340 7.763 50 30 KKEARN O=C(O/N=C(\c1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000012957232 553429868 /nfs/dbraw/zinc/42/98/68/553429868.db2.gz KCPGAKMODQGNHH-YZWVJKAASA-N 0 0 513.635 8.318 50 30 KKEARN O=C(ON=C1CCN(c2nc3ccc(Cl)cc3n3c2nnc3C(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000012957527 553429876 /nfs/dbraw/zinc/42/98/76/553429876.db2.gz XAJMBLLICPPELH-UHFFFAOYSA-N 0 0 523.302 5.416 50 30 KKEARN O=C(N/C=N/OCc1ccc(Cl)cc1Cl)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000012957458 553429878 /nfs/dbraw/zinc/42/98/78/553429878.db2.gz OHRHENROKNLYLU-UHFFFAOYSA-N 0 0 518.706 6.743 50 30 KKEARN O/N=C(/Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000012957111 553429894 /nfs/dbraw/zinc/42/98/94/553429894.db2.gz XCCPPKAPWIAODZ-UHFFFAOYSA-N 0 0 511.209 6.861 50 30 KKEARN FC(F)(F)c1cnc(N=NC(c2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000012957201 553429925 /nfs/dbraw/zinc/42/99/25/553429925.db2.gz SJDOGEXEJQXTRZ-BVMLUPFRSA-N 0 0 513.656 7.339 50 30 KKEARN O=C(NC=NOCc1ccccc1Br)[C@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000012959198 553430258 /nfs/dbraw/zinc/43/02/58/553430258.db2.gz GTAPRIHBMWAFIF-OAQYLSRUSA-N 0 0 577.788 6.473 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013126997 553449700 /nfs/dbraw/zinc/44/97/00/553449700.db2.gz GFECMBMTLINJSN-UHFFFAOYSA-N 0 0 513.623 5.042 50 30 KKEARN CCc1sc2nc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)n(C3CCCCC3)c(=O)c2c1C ZINC000013129085 553450341 /nfs/dbraw/zinc/45/03/41/553450341.db2.gz VVFOWLOVHRGBCC-LFVJCYFKSA-N 0 0 521.752 6.807 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl ZINC000013134925 553452619 /nfs/dbraw/zinc/45/26/19/553452619.db2.gz FKDGZWQOZHNWNR-UHFFFAOYSA-N 0 0 507.996 5.080 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2cccc3ncccc23)c1 ZINC000013286121 553457786 /nfs/dbraw/zinc/45/77/86/553457786.db2.gz RTCDFTWVMBTMKR-SSEVLGFUSA-N 0 0 515.063 7.375 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3Cc3ccccc3)ccc2s1 ZINC000013306359 553458434 /nfs/dbraw/zinc/45/84/34/553458434.db2.gz JDQPLPJVEXGJCG-CNPBBGJZSA-N 0 0 500.674 6.779 50 30 KKEARN CS/C(=N\S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1 ZINC000013464017 553459479 /nfs/dbraw/zinc/45/94/79/553459479.db2.gz XNOVHHIDYPOWLH-PLRJNAJWSA-N 0 0 500.593 5.123 50 30 in-vitro KKEARN COc1ccc(/C(=N/OC(=O)c2ccc(C(C)(C)C)cc2)c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000013512103 553467748 /nfs/dbraw/zinc/46/77/48/553467748.db2.gz LYZZRKSLBPLNOU-MDVFONAFSA-N 0 0 528.605 6.176 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000013550139 553470227 /nfs/dbraw/zinc/47/02/27/553470227.db2.gz SLCJGXUKUYFWIR-XMMPIXPASA-N 0 0 516.575 5.419 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013552406 553470703 /nfs/dbraw/zinc/47/07/03/553470703.db2.gz AZQDKKZSUIXEPL-QHCPKHFHSA-N 0 0 504.995 6.304 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000013553027 553470878 /nfs/dbraw/zinc/47/08/78/553470878.db2.gz VTTGNBFACRZYAP-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000013557391 553471365 /nfs/dbraw/zinc/47/13/65/553471365.db2.gz SKYMRHSWNAUMPE-RUZDIDTESA-N 0 0 510.571 6.116 50 30 KKEARN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000013564108 553472113 /nfs/dbraw/zinc/47/21/13/553472113.db2.gz WUIXLCWHELRFRY-LQKURTRISA-N 0 0 520.383 6.934 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571134 553473899 /nfs/dbraw/zinc/47/38/99/553473899.db2.gz ANSXQCPKRGBCKW-MUUNZHRXSA-N 0 0 506.558 5.453 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000013570978 553473906 /nfs/dbraw/zinc/47/39/06/553473906.db2.gz PMBPFJYBORXTER-LJAQVGFWSA-N 0 0 529.633 5.978 50 30 KKEARN Nc1c2ccc(-c3ccccc3Cl)nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000013574745 553474622 /nfs/dbraw/zinc/47/46/22/553474622.db2.gz SNLXAOBKPYNWQN-SDNWHVSQSA-N 0 0 516.047 7.409 50 30 KKEARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c3cc2C1 ZINC000013574740 553474634 /nfs/dbraw/zinc/47/46/34/553474634.db2.gz VXFCHPFNMSJNOM-PKHIPVCBSA-N 0 0 529.731 7.630 50 30 KKEARN COc1ccccc1C=CC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013577155 553475172 /nfs/dbraw/zinc/47/51/72/553475172.db2.gz ZJIRRWDAJMKTQN-WIMIOGDESA-N 0 0 522.692 5.219 50 30 KKEARN CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013687126 553485442 /nfs/dbraw/zinc/48/54/42/553485442.db2.gz KAHPKRQRKWYZBL-CJDFSBOZSA-N 0 0 510.752 6.256 50 30 KKEARN Cc1c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013769096 553489214 /nfs/dbraw/zinc/48/92/14/553489214.db2.gz PRZVQCWZCXPSFN-NGQJREMFSA-N 0 0 511.629 6.591 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000013778954 553490218 /nfs/dbraw/zinc/49/02/18/553490218.db2.gz TWHCBFCUZWHOOZ-NPVLQNQSSA-N 0 0 523.618 5.374 50 30 KKEARN C=CCc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(OC)c1OCc1ccccc1C ZINC000013786507 553490735 /nfs/dbraw/zinc/49/07/35/553490735.db2.gz FHVOYCOKUIZEAM-NPVLQNQSSA-N 0 0 523.618 5.374 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1ccc(F)cc1 ZINC000013882296 553494202 /nfs/dbraw/zinc/49/42/02/553494202.db2.gz ACZOJDSSONXVNU-VYFIBITNSA-N 0 0 526.652 7.450 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1OC ZINC000013894648 553494498 /nfs/dbraw/zinc/49/44/98/553494498.db2.gz XVILIZUBPRVBOF-RBQOPQDOSA-N 0 0 533.665 6.196 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)SC1=S ZINC000013898500 553495211 /nfs/dbraw/zinc/49/52/11/553495211.db2.gz RSZYMHNXHBUQTK-YVLHZVERSA-N 0 0 500.450 5.457 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc(Br)c1OCC#N ZINC000013914520 553495423 /nfs/dbraw/zinc/49/54/23/553495423.db2.gz RUMQHBHWKWMFBW-STZFKDTASA-N 0 0 508.397 5.795 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)cc(C)c(COc2ccc(Cl)cc2)c1C ZINC000013916056 553495805 /nfs/dbraw/zinc/49/58/05/553495805.db2.gz XYWFPSHBLWITFR-MUUNZHRXSA-N 0 0 508.058 6.621 50 30 KKEARN COc1cc(C=NNc2ccc(Cl)cc2)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000013915549 553495807 /nfs/dbraw/zinc/49/58/07/553495807.db2.gz HZPMNGJFNQESBS-MZJWZYIUSA-N 0 0 502.796 5.252 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(C)c(C)c2)SC1=S ZINC000013940225 553496208 /nfs/dbraw/zinc/49/62/08/553496208.db2.gz OTZZDPNGFKHOSK-STZFKDTASA-N 0 0 504.471 5.911 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000013943743 553497039 /nfs/dbraw/zinc/49/70/39/553497039.db2.gz CACNLCVMNRGKIC-FJOMVMCCSA-N 0 0 523.586 5.012 50 30 KKEARN CCc1ccc2c(CC(Cc3coc4cc(CC)ccc34)=NNC(=S)Nc3ccccc3F)coc2c1 ZINC000014129505 553501512 /nfs/dbraw/zinc/50/15/12/553501512.db2.gz BHMOYPYNZSVKIB-UHFFFAOYSA-N 0 0 513.638 7.571 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000014134113 553502119 /nfs/dbraw/zinc/50/21/19/553502119.db2.gz JKPGJADLVBQNSN-AWEZNQCLSA-N 0 0 519.852 5.346 50 30 KKEARN CCOc1ccccc1-c1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)n[nH]1 ZINC000014162113 553505575 /nfs/dbraw/zinc/50/55/75/553505575.db2.gz UJHBUSXCBYAHCG-INIZCTEOSA-N 0 0 509.701 6.075 50 30 KKEARN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000014360076 553513845 /nfs/dbraw/zinc/51/38/45/553513845.db2.gz GYLURPTXNRMCRP-ZHACJKMWSA-N 0 0 518.466 5.804 50 30 KKEARN CC(C)(C)c1ccc(Oc2ccc(C=CC(=O)c3ccc(NC4=NCCCS4)cc3)cc2[N+](=O)[O-])cc1 ZINC000014360768 553514172 /nfs/dbraw/zinc/51/41/72/553514172.db2.gz OZCOFUMDLWNVSY-PJQLUOCWSA-N 0 0 515.635 7.295 50 30 KKEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)ccc1OCc1ccc(Cl)cc1 ZINC000014361390 553514480 /nfs/dbraw/zinc/51/44/80/553514480.db2.gz ZFMCLVSPOABNLM-MDWZMJQESA-N 0 0 500.019 8.032 50 30 KKEARN Cc1cc(C)nc(NC(=NC(=O)c2ccc(Cl)cc2Cl)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000014671547 553518953 /nfs/dbraw/zinc/51/89/53/553518953.db2.gz RKTQETAUTQLUKW-UHFFFAOYSA-N 0 0 515.832 5.976 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000014944868 553521909 /nfs/dbraw/zinc/52/19/09/553521909.db2.gz AQGPFKXVTQFWOQ-VHSZZVNMSA-N 0 0 503.595 5.906 50 30 KKEARN Clc1ccc(Sc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000015011948 553525433 /nfs/dbraw/zinc/52/54/33/553525433.db2.gz HYEMNJKTTFCIMC-TURZUDJPSA-N 0 0 508.095 6.103 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1c(C)nn(-c3ccccc3)c1Cl)N(C(C)=O)c1ccccc1-2 ZINC000015015792 553525947 /nfs/dbraw/zinc/52/59/47/553525947.db2.gz FCZADYOVHFVDBN-XMMPIXPASA-N 0 0 505.003 5.408 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(C)c4C)c4ccccc4C3c3ccccc32)cc1 ZINC000015188164 553528688 /nfs/dbraw/zinc/52/86/88/553528688.db2.gz RZRBGEGSAUNCPA-AXFZIHSKSA-N 0 0 512.609 6.265 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1OC ZINC000015304359 553530958 /nfs/dbraw/zinc/53/09/58/553530958.db2.gz CNGZIZNNVJIDBZ-NJDIQBRYSA-N 0 0 515.404 5.087 50 30 KKEARN CCOc1ccccc1NC(=O)c1c2c(sc1/N=C/c1ccc(OC)c(OC)c1OC)C[C@H](C)CC2 ZINC000015945643 553544018 /nfs/dbraw/zinc/54/40/18/553544018.db2.gz FNBGQWIKLPQVID-OEZLLYBRSA-N 0 0 508.640 6.300 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000015946452 553544391 /nfs/dbraw/zinc/54/43/91/553544391.db2.gz OYWMZDLEXNJBIN-HVAQTUQNSA-N 0 0 511.485 7.370 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC ZINC000015946465 553544393 /nfs/dbraw/zinc/54/43/93/553544393.db2.gz DHOJTOWFAWAKQJ-UHCIHMBKSA-N 0 0 520.695 7.236 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000016034282 553551705 /nfs/dbraw/zinc/55/17/05/553551705.db2.gz FRPPLAWOEPCRGN-BITVEADBSA-N 0 0 527.590 6.892 50 30 KKEARN COc1ccc(CN=C(Nc2ccc(SC(F)F)cc2)SCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016035683 553552322 /nfs/dbraw/zinc/55/23/22/553552322.db2.gz HMFMLJPTQSPRSB-UHFFFAOYSA-N 0 0 530.706 8.027 50 30 KKEARN CCOc1cc(/C=C/C(=O)c2ccc3cc(OC)ccc3c2)cc(Br)c1OCC(=O)N(C)C ZINC000016050368 553555007 /nfs/dbraw/zinc/55/50/07/553555007.db2.gz ZPGSHURHBNNWSY-IZZDOVSWSA-N 0 0 512.400 5.373 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)S2)cc1 ZINC000016161411 553555734 /nfs/dbraw/zinc/55/57/34/553555734.db2.gz XKCLYBUAGHDUSZ-OEAKJJBVSA-N 0 0 511.416 6.621 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC(C)C)=C(C)NC4=C3C(=O)C[C@@H](c3ccc(F)cc3)C4)c(=O)c2c1 ZINC000016293778 553559422 /nfs/dbraw/zinc/55/94/22/553559422.db2.gz KSMVMIVVQJUXRH-UZTOHYMASA-N 0 0 501.554 5.554 50 30 KKEARN C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]12 ZINC000016605627 553568796 /nfs/dbraw/zinc/56/87/96/553568796.db2.gz ABYYNQLUXNWGSV-MAYPULDCSA-N 0 0 518.638 5.824 50 30 KKEARN COc1ccccc1C(=O)Oc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000016607171 553568948 /nfs/dbraw/zinc/56/89/48/553568948.db2.gz ZIVWJTHJRQUXNE-GIBOGKFOSA-N 0 0 520.507 6.596 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016729906 553576112 /nfs/dbraw/zinc/57/61/12/553576112.db2.gz WZLBBQZZIGUEKU-MHZLTWQESA-N 0 0 519.594 6.034 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000016730003 553576319 /nfs/dbraw/zinc/57/63/19/553576319.db2.gz WSQLRMAFJFJYNY-MUUNZHRXSA-N 0 0 517.622 6.806 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000016731751 553577293 /nfs/dbraw/zinc/57/72/93/553577293.db2.gz UTVIXRMKOBHMOO-SANMLTNESA-N 0 0 507.558 6.083 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732183 553577552 /nfs/dbraw/zinc/57/75/52/553577552.db2.gz UXLPHCDLEXTZHD-JOCHJYFZSA-N 0 0 504.564 5.010 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000016733534 553578189 /nfs/dbraw/zinc/57/81/89/553578189.db2.gz DBUPDVRIPMTTFJ-NRFANRHFSA-N 0 0 516.775 5.873 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(OCCC)c2)cc1 ZINC000016737251 553579270 /nfs/dbraw/zinc/57/92/70/553579270.db2.gz HDUGSZDHCKNATO-HHHXNRCGSA-N 0 0 500.595 5.828 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000016737247 553579282 /nfs/dbraw/zinc/57/92/82/553579282.db2.gz HLMXQXXTTFJPJX-MUUNZHRXSA-N 0 0 530.621 5.836 50 30 KKEARN Cc1ccc(-c2nc(N=NCc3cccc(Oc4ccccc4)c3)sc2NC(=O)Cc2ccccc2)cc1 ZINC000016752855 553580871 /nfs/dbraw/zinc/58/08/71/553580871.db2.gz NLWRKYURUYQBQX-RUMWWMSVSA-N 0 0 518.642 7.538 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805531 553582976 /nfs/dbraw/zinc/58/29/76/553582976.db2.gz RSUZBMOOQGFHSP-NRFANRHFSA-N 0 0 508.571 5.592 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805529 553583057 /nfs/dbraw/zinc/58/30/57/553583057.db2.gz YGFOVXFMUWQLDA-JOCHJYFZSA-N 0 0 522.598 5.982 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805533 553583067 /nfs/dbraw/zinc/58/30/67/553583067.db2.gz RSUZBMOOQGFHSP-OAQYLSRUSA-N 0 0 508.571 5.592 50 30 KKEARN CN(C)c1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016915030 553583917 /nfs/dbraw/zinc/58/39/17/553583917.db2.gz DIGAOKIPCJIJBH-NRFANRHFSA-N 0 0 503.584 5.013 50 30 KKEARN CN(C)c1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016915025 553583927 /nfs/dbraw/zinc/58/39/27/553583927.db2.gz DIGAOKIPCJIJBH-OAQYLSRUSA-N 0 0 503.584 5.013 50 30 KKEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041210 553587175 /nfs/dbraw/zinc/58/71/75/553587175.db2.gz FGKSDHVLEWLHGO-OAQYLSRUSA-N 0 0 502.596 5.892 50 30 KKEARN CCN=C(Nc1ccc(Cl)c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000017136178 553588731 /nfs/dbraw/zinc/58/87/31/553588731.db2.gz BZKCGFANOSMUNH-INIZCTEOSA-N 0 0 501.233 5.418 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242473 553591176 /nfs/dbraw/zinc/59/11/76/553591176.db2.gz SHKUVCSKQSGBSY-HXUWFJFHSA-N 0 0 506.559 5.722 50 30 KKEARN O=C(Nc1ccccc1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575360 553591226 /nfs/dbraw/zinc/59/12/26/553591226.db2.gz ZNSJFNNRKLUACB-WPRPVWTQSA-N 0 0 571.183 6.498 50 30 KKEARN CC(C)=NOC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068575464 553591240 /nfs/dbraw/zinc/59/12/40/553591240.db2.gz KAYBKEWGKUMREV-FSPLSTOPSA-N 0 0 551.149 5.798 50 30 KKEARN COc1ccc(OC)c([C@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020134421 553592522 /nfs/dbraw/zinc/59/25/22/553592522.db2.gz BVEAKYIZTUEBJK-XMMPIXPASA-N 0 0 531.678 5.897 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)C5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664618 553594754 /nfs/dbraw/zinc/59/47/54/553594754.db2.gz HOMPZGISDANFBM-NYMCLXQXSA-N 0 0 512.888 10.525 50 30 biogenic KKEARN CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)NC(C)=CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000017654911 553599015 /nfs/dbraw/zinc/59/90/15/553599015.db2.gz TYEFSRMOUXWTDN-DYQICHDWSA-N 0 0 619.684 7.104 50 30 in-vitro KKEARN O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)[C@@H](F)C(F)(F)F)cc1Cl ZINC000017653974 553599045 /nfs/dbraw/zinc/59/90/45/553599045.db2.gz PWPJGUXAGUPAHP-AWEZNQCLSA-N 0 0 511.152 6.106 50 30 world KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070669855 553599239 /nfs/dbraw/zinc/59/92/39/553599239.db2.gz VXHGZMADPGKYHA-IXTMLMFPSA-N 0 0 556.831 9.080 50 30 biogenic KKEARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000070669937 553599446 /nfs/dbraw/zinc/59/94/46/553599446.db2.gz JPWWVSGLQAUOEU-FFEFOYEDSA-N 0 0 564.723 5.133 50 30 biogenic KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000020158578 553600260 /nfs/dbraw/zinc/60/02/60/553600260.db2.gz MJQRJTLMGGYIQK-WXTAPIANSA-N 0 0 519.619 5.104 50 30 KKEARN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000018029826 553601906 /nfs/dbraw/zinc/60/19/06/553601906.db2.gz WLNQIKIEFJBOCR-LQKURTRISA-N 0 0 515.835 6.277 50 30 KKEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(Cc3ccc(Cl)cc3)CC2)c1Cc1ccccc1 ZINC000020169551 553602121 /nfs/dbraw/zinc/60/21/21/553602121.db2.gz SNYDQZZATSVWSH-UHFFFAOYSA-N 0 0 506.053 6.234 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000070672800 553602650 /nfs/dbraw/zinc/60/26/50/553602650.db2.gz ZSQUSLALPQALPW-PLTNMMHCSA-N 0 0 544.648 6.786 50 30 biogenic KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccccc1O[C@H](C)CC ZINC000070673507 553603709 /nfs/dbraw/zinc/60/37/09/553603709.db2.gz OPQAWJZBDQKYQD-HHVGTGTNSA-N 0 0 554.687 7.192 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[nH]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181755 553604602 /nfs/dbraw/zinc/60/46/02/553604602.db2.gz LCINCCMUUXBHFL-FQEVSTJZSA-N 0 0 523.014 6.237 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccnc1 ZINC000018116279 553604761 /nfs/dbraw/zinc/60/47/61/553604761.db2.gz WCQNWLUMYBCBJD-JIYROHSKSA-N 0 0 525.649 6.580 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000018116275 553604768 /nfs/dbraw/zinc/60/47/68/553604768.db2.gz WCQNWLUMYBCBJD-HEIROHQZSA-N 0 0 525.649 6.580 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccccc3)C2)cc1 ZINC000018122713 553605454 /nfs/dbraw/zinc/60/54/54/553605454.db2.gz GPGXBVUAVPIQFJ-NLGDKJDOSA-N 0 0 500.598 6.910 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1coc2ccccc2c1=O ZINC000020190940 553605824 /nfs/dbraw/zinc/60/58/24/553605824.db2.gz SIPNUSYRXSLSJI-NSYGIPOTSA-N 0 0 521.660 5.512 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018172520 553606888 /nfs/dbraw/zinc/60/68/88/553606888.db2.gz KVHQWLXYAHWXRY-QNLPTKCRSA-N 0 0 513.081 8.129 50 30 KKEARN CCCCCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000070687886 553607730 /nfs/dbraw/zinc/60/77/30/553607730.db2.gz UDQSLESEGGMNGM-LJAQVGFWSA-N 0 0 502.615 5.117 50 30 biogenic KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000018180902 553607783 /nfs/dbraw/zinc/60/77/83/553607783.db2.gz KNYOBDIQBQFVLJ-BGOLNKOXSA-N 0 0 526.633 6.331 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000018181756 553608026 /nfs/dbraw/zinc/60/80/26/553608026.db2.gz QUPFWULGAMVKLA-MHZLTWQESA-N 0 0 520.551 6.971 50 30 KKEARN CC[C@@H]1CCc2c(sc(/N=C/c3ccc(OC)c(OCc4ccc(C)cc4)c3)c2C(=O)NC2CC2)C1 ZINC000018196209 553608639 /nfs/dbraw/zinc/60/86/39/553608639.db2.gz HIBKBFZZDKIXCS-UHCIHMBKSA-N 0 0 502.680 6.802 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000018198005 553608879 /nfs/dbraw/zinc/60/88/79/553608879.db2.gz BMLMCVQEOBMESK-ZTOMLWHTSA-N 0 0 508.578 5.290 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000018197139 553608993 /nfs/dbraw/zinc/60/89/93/553608993.db2.gz IIBAMNVUHYSVGD-PMERELPUSA-N 0 0 506.602 6.359 50 30 KKEARN CC(C)(C)c1cc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(C(C)(C)C)c1O ZINC000018200776 553610208 /nfs/dbraw/zinc/61/02/08/553610208.db2.gz NVPHQYIHRYXKSO-LHSJRXKWSA-N 0 0 519.667 5.384 50 30 KKEARN CC(C)(C)c1cc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(C(C)(C)C)c1O ZINC000018200775 553610232 /nfs/dbraw/zinc/61/02/32/553610232.db2.gz NVPHQYIHRYXKSO-SZNDQCEHSA-N 0 0 519.667 5.384 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Oc5ccc(Cl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692308 553610825 /nfs/dbraw/zinc/61/08/25/553610825.db2.gz NCLKUEFDBFUEAL-FUGQLMCZSA-N 0 0 541.216 10.554 50 30 biogenic KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc(OC)c1OC ZINC000018244275 553611140 /nfs/dbraw/zinc/61/11/40/553611140.db2.gz CRJHXFPNGHDAIO-JOCHJYFZSA-N 0 0 504.505 5.418 50 30 KKEARN N#Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000018254436 553611583 /nfs/dbraw/zinc/61/15/83/553611583.db2.gz SNIBPKOEDAGUPW-RCRUUEGKSA-N 0 0 519.601 6.973 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(Cl)cc1 ZINC000018285578 553612212 /nfs/dbraw/zinc/61/22/12/553612212.db2.gz OGPGTLUQEZRCMR-ZZHIIEOYSA-N 0 0 530.112 7.635 50 30 KKEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070697598 553613028 /nfs/dbraw/zinc/61/30/28/553613028.db2.gz NPJVQQMSVNRXBF-PVSSTPCESA-N 0 0 561.723 5.065 50 30 biogenic KKEARN CC(=O)[C@H]1[C@H]([C@H](C#N)c2nc(-c3ccccc3)cs2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697707 553613080 /nfs/dbraw/zinc/61/30/80/553613080.db2.gz LWIGAZWGTRVWEI-ZCJAPFQDSA-N 0 0 514.735 7.172 50 30 biogenic KKEARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697715 553613404 /nfs/dbraw/zinc/61/34/04/553613404.db2.gz OSBLCQUEJHTRHA-FSQQAFTQSA-N 0 0 549.708 5.111 50 30 biogenic KKEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(C(C)(C)C)cc3)oc21 ZINC000020219372 553614762 /nfs/dbraw/zinc/61/47/62/553614762.db2.gz CLDSKYHRPCSWAC-AREMUKBSSA-N 0 0 532.637 5.040 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000019804610 553617700 /nfs/dbraw/zinc/61/77/00/553617700.db2.gz BPONWAPKMUDXLX-XMMPIXPASA-N 0 0 519.956 5.808 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019806072 553617728 /nfs/dbraw/zinc/61/77/28/553617728.db2.gz CIMUJSITVYCXNO-AYWVHJORSA-N 0 0 509.602 5.809 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000019827858 553622439 /nfs/dbraw/zinc/62/24/39/553622439.db2.gz NKLLWVLUYTVMGI-SANMLTNESA-N 0 0 505.611 5.102 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000019830888 553622646 /nfs/dbraw/zinc/62/26/46/553622646.db2.gz AWYQMKYSPLIQKW-OLILMLBXSA-N 0 0 517.622 5.560 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000019848593 553623647 /nfs/dbraw/zinc/62/36/47/553623647.db2.gz PBSOCDKCAMQZIZ-WJOKGBTCSA-N 0 0 523.629 6.028 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019848635 553623686 /nfs/dbraw/zinc/62/36/86/553623686.db2.gz VNCBORQHBGONOR-PMERELPUSA-N 0 0 507.630 6.869 50 30 KKEARN COc1cc(-c2c(C#N)c(N)nc(SCc3ccc(Cl)c(Cl)c3)c2C#N)cc(OC)c1OC ZINC000019851931 553624180 /nfs/dbraw/zinc/62/41/80/553624180.db2.gz SDNBYJLTIOYPTH-UHFFFAOYSA-N 0 0 501.395 5.699 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857789 553628655 /nfs/dbraw/zinc/62/86/55/553628655.db2.gz WOPKTOAFEOZQMS-WUMKDDEVSA-N 0 0 507.652 5.551 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O ZINC000019881032 553629525 /nfs/dbraw/zinc/62/95/25/553629525.db2.gz ZJNRULCCWZBPKR-RBISFHTESA-N 0 0 503.595 5.181 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019892719 553631364 /nfs/dbraw/zinc/63/13/64/553631364.db2.gz XDGRXALBRZJGSD-COYUYZSTSA-N 0 0 510.030 6.061 50 30 KKEARN C=CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2SCC=C)CC1 ZINC000019893367 553631562 /nfs/dbraw/zinc/63/15/62/553631562.db2.gz MZMMSUVDHZDIJN-UHFFFAOYSA-N 0 0 507.508 6.148 50 30 KKEARN C=C[C@@](C)(CO[C@@H]1CCCCO1)C[C@H]1O[C@@H](Sc2ccccc2)[C@@]23[C@H](O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786302 553637104 /nfs/dbraw/zinc/63/71/04/553637104.db2.gz XKEBWYLKXGJFQW-QBLHGZGHSA-N 0 0 500.745 6.823 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(C)o2)cc1OC ZINC000020367624 553643271 /nfs/dbraw/zinc/64/32/71/553643271.db2.gz VYPDCCTWWRRWGN-URAOTHONSA-N 0 0 512.606 5.914 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000019947172 553646181 /nfs/dbraw/zinc/64/61/81/553646181.db2.gz UMNBOYHFICHIJO-UHFFFAOYSA-N 0 0 524.488 7.546 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1 ZINC000020034848 553667465 /nfs/dbraw/zinc/66/74/65/553667465.db2.gz VJWZCEPKEGWNGF-UHFFFAOYSA-N 0 0 503.614 6.387 50 30 KKEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc4c(c(OC)c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079193283 553668620 /nfs/dbraw/zinc/66/86/20/553668620.db2.gz RCGXLXCDPDRLSJ-IIBARZOFSA-N 0 0 562.659 6.582 50 30 KKEARN CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(Oc2ccccc2)cc1 ZINC000020512587 553668783 /nfs/dbraw/zinc/66/87/83/553668783.db2.gz SVQHJDITYPKCJD-WSTZPKSXSA-N 0 0 505.206 6.490 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1 ZINC000020058074 553671366 /nfs/dbraw/zinc/67/13/66/553671366.db2.gz UVMOHAJWAKLTTG-YUDQIZAISA-N 0 0 509.602 5.809 50 30 KKEARN CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000079559089 553672883 /nfs/dbraw/zinc/67/28/83/553672883.db2.gz SKLBBRQPVZDTNM-SJTWHRLHSA-N 0 0 512.863 10.300 50 30 KKEARN CC[C@@H]1CCc2c(sc(/N=C/c3ccc(OC)c(OCc4ccc(F)cc4)c3)c2C(=O)NC2CC2)C1 ZINC000020562851 553673287 /nfs/dbraw/zinc/67/32/87/553673287.db2.gz NUUJDMHJWCGCJJ-UAMLYTHZSA-N 0 0 506.643 6.633 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3c(Cl)cccc23)c(C#N)c1C ZINC000020562984 553673351 /nfs/dbraw/zinc/67/33/51/553673351.db2.gz CKRMSVTYKRONKK-UHFFFAOYSA-N 0 0 517.054 6.840 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(-c3ccccn3)nc3c(Cl)cccc23)c(C#N)c1C ZINC000020563065 553673661 /nfs/dbraw/zinc/67/36/61/553673661.db2.gz ZCBREEAMOFEUSS-UHFFFAOYSA-N 0 0 504.015 5.926 50 30 KKEARN COc1cc(OC)c(NC=C2C(=O)c3sccc3N(Cc3ccc(F)cc3)S2(=O)=O)cc1Cl ZINC000020575831 553675550 /nfs/dbraw/zinc/67/55/50/553675550.db2.gz UVUKDOHJEPYYEE-JAIQZWGSSA-N 0 0 508.980 5.044 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(CCc1ccccc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000020069964 553676104 /nfs/dbraw/zinc/67/61/04/553676104.db2.gz KMKQHNQQTOTUIQ-UHFFFAOYSA-N 0 0 508.506 7.040 50 30 KKEARN N#Cc1cccc(N2C[C@@H](C(=O)N3CCC(c4c[nH]c5ccccc54)(c4c[nH]c5ccccc54)CC3)CC2=O)c1 ZINC000085392781 553679150 /nfs/dbraw/zinc/67/91/50/553679150.db2.gz BFKFWOFUWSLFRO-QHCPKHFHSA-N 0 0 527.628 5.482 50 30 KKEARN COc1ccc(C2=NN(c3ccc(/C=N/n4cnc5scc(-c6ccccc6)c5c4=O)cc3)CC2)cc1 ZINC000020615193 553679691 /nfs/dbraw/zinc/67/96/91/553679691.db2.gz RENNDZSXXNIVET-KBVAKVRCSA-N 0 0 505.603 5.630 50 30 KKEARN CCOC(=O)c1ccc(N2C(=S)N=C(Nc3cccc(C(F)(F)F)c3)C23CCC(C(C)(C)C)CC3)cc1 ZINC000085432701 553682041 /nfs/dbraw/zinc/68/20/41/553682041.db2.gz DBULGLLNYMEFRK-UHFFFAOYSA-N 0 0 531.644 7.282 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@@H](c3cccc(Br)c3)C12 ZINC000020092728 553685999 /nfs/dbraw/zinc/68/59/99/553685999.db2.gz YADRSATZERBVGV-FQEVSTJZSA-N 0 0 512.389 5.263 50 30 KKEARN Cc1ccc(CN2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000020103734 553687955 /nfs/dbraw/zinc/68/79/55/553687955.db2.gz WLGPPVFNKMPKSQ-UHFFFAOYSA-N 0 0 522.516 8.188 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000087515293 553693162 /nfs/dbraw/zinc/69/31/62/553693162.db2.gz RVZRBWKZFJCCIB-UHFFFAOYSA-N 0 0 671.085 8.566 50 30 in-vitro KKEARN FC1(F)C(F)(F)C(F)(F)[C@@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]12F ZINC000087515307 553693210 /nfs/dbraw/zinc/69/32/10/553693210.db2.gz QKENRHXGDUPTEM-DUHBMQHGSA-N 0 0 624.106 7.213 50 30 in-vitro KKEARN N#Cc1c2c(c(-c3ccco3)nc1N1CCN(C(=S)Nc3cccc(Cl)c3Cl)CC1)CCCC2 ZINC000020827023 553698889 /nfs/dbraw/zinc/69/88/89/553698889.db2.gz STOZZURKAFBFAK-UHFFFAOYSA-N 0 0 512.466 5.918 50 30 KKEARN CCCN(CCC)c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000095100412 553698943 /nfs/dbraw/zinc/69/89/43/553698943.db2.gz DTXSZKAEIZGFJV-UHFFFAOYSA-N 0 0 616.291 7.347 50 30 KKEARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100615 553699150 /nfs/dbraw/zinc/69/91/50/553699150.db2.gz WPNSMBKTSSLOGG-WCBMZHEXSA-N 0 0 616.180 6.406 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1OC ZINC000020850683 553699877 /nfs/dbraw/zinc/69/98/77/553699877.db2.gz PIUQVMGRQUSHGE-VWLOTQADSA-N 0 0 504.656 5.863 50 30 KKEARN Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c(C)c1 ZINC000020850674 553699943 /nfs/dbraw/zinc/69/99/43/553699943.db2.gz XTBLDZYGRKYATD-HSZRJFAPSA-N 0 0 523.500 6.608 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5cccs5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471798 553701406 /nfs/dbraw/zinc/70/14/06/553701406.db2.gz TWBQBOOSMWSGJQ-QANQQMCJSA-N 0 0 534.850 9.201 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccco5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000095471795 553701481 /nfs/dbraw/zinc/70/14/81/553701481.db2.gz MPAPPMPDRHHDIF-FEVLXFSSSA-N 0 0 518.782 8.732 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)[C@H](Sc1nnnn1-c1ccccc1)C2 ZINC000095660884 553706738 /nfs/dbraw/zinc/70/67/38/553706738.db2.gz VYWZQWHSTHBYSJ-WJOKGBTCSA-N 0 0 589.850 8.762 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@](F)(Br)C(F)(F)Br ZINC000095676583 553707287 /nfs/dbraw/zinc/70/72/87/553707287.db2.gz HSLSYHFNCGWUKN-SFOWXEAESA-N 0 0 509.857 6.138 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681631 553707412 /nfs/dbraw/zinc/70/74/12/553707412.db2.gz MPAMAEMOVKLPRB-UHFFFAOYSA-N 0 0 550.102 6.259 50 30 KKEARN C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681627 553707471 /nfs/dbraw/zinc/70/74/71/553707471.db2.gz PUCOLQDJAFBFDR-UHFFFAOYSA-N 0 0 600.187 7.089 50 30 KKEARN FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095681682 553707625 /nfs/dbraw/zinc/70/76/25/553707625.db2.gz YGSSMEJGAVBONC-UHFFFAOYSA-N 0 0 527.968 6.091 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095682029 553707987 /nfs/dbraw/zinc/70/79/87/553707987.db2.gz POFXNOHVAKKASZ-UYFOZJQFSA-N 0 0 676.116 6.870 50 30 KKEARN CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681881 553708000 /nfs/dbraw/zinc/70/80/00/553708000.db2.gz HUPGRQWHZOWFPQ-UHFFFAOYSA-N 0 0 548.130 7.676 50 30 KKEARN FC(F)(F)c1cc2c(c(C(F)(F)F)c1)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000095719287 553709816 /nfs/dbraw/zinc/70/98/16/553709816.db2.gz BOXFZLYPSMTSBF-RUZDIDTESA-N 0 0 632.448 10.776 50 30 KKEARN O=c1c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2ncn1/N=C/c1ccc(Cl)cc1Cl ZINC000095725763 553711035 /nfs/dbraw/zinc/71/10/35/553711035.db2.gz WRCVAWOGCGILSP-XAZZYMPDSA-N 0 0 528.424 6.924 50 30 KKEARN CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC ZINC000095741189 553711796 /nfs/dbraw/zinc/71/17/96/553711796.db2.gz YRIMSXJXBHUHJT-UHFFFAOYSA-N 0 0 512.772 8.236 50 30 KKEARN CCCCCCCCCCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1 ZINC000096022575 553721559 /nfs/dbraw/zinc/72/15/59/553721559.db2.gz UAZZTOFTEJESMV-ZBJSNUHESA-N 0 0 550.815 9.006 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000096101694 553724296 /nfs/dbraw/zinc/72/42/96/553724296.db2.gz JIOHXACECLISJQ-HSZRJFAPSA-N 0 0 524.415 5.103 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000096101681 553724310 /nfs/dbraw/zinc/72/43/10/553724310.db2.gz CLNBSQSOEHLQRN-SANMLTNESA-N 0 0 501.627 5.638 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000096101682 553724375 /nfs/dbraw/zinc/72/43/75/553724375.db2.gz CLNBSQSOEHLQRN-AREMUKBSSA-N 0 0 501.627 5.638 50 30 KKEARN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(OC)ccc3c2occ(-c2ccc(OC)cc2)c3=O)cc1 ZINC000096116088 553726611 /nfs/dbraw/zinc/72/66/11/553726611.db2.gz UNOXQWBWBZAOIM-VWLOTQADSA-N 0 0 514.574 6.127 50 30 biogenic KKEARN N#Cc1cccc([C@H](CC(=O)NCc2ccccc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000096292497 553746520 /nfs/dbraw/zinc/74/65/20/553746520.db2.gz GYUXGZXGUIKTGZ-NDEPHWFRSA-N 0 0 522.023 7.192 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccs3)cc2)c1 ZINC000096295714 553748458 /nfs/dbraw/zinc/74/84/58/553748458.db2.gz VRVBQWCBGWJYGO-SANMLTNESA-N 0 0 513.619 5.501 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000096317082 553749744 /nfs/dbraw/zinc/74/97/44/553749744.db2.gz WLLFWOYEROQTAF-PBBNMVCDSA-N 0 0 517.622 5.647 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939673 553760201 /nfs/dbraw/zinc/76/02/01/553760201.db2.gz DLTDFFZCYYLTJN-DFXYEROKSA-N 0 0 573.642 5.060 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1OC ZINC000097939690 553760475 /nfs/dbraw/zinc/76/04/75/553760475.db2.gz ZKIRJRVAFMAOJR-OHZJNBGDSA-N 0 0 545.548 5.329 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1[N+](=O)[O-] ZINC000097939770 553761034 /nfs/dbraw/zinc/76/10/34/553761034.db2.gz TXBYDRWLUHDEGH-PIKZIKFNSA-N 0 0 544.629 5.949 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000097939763 553761050 /nfs/dbraw/zinc/76/10/50/553761050.db2.gz FZIJOJCAIICSRZ-MYUZEXMDSA-N 0 0 600.506 5.502 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000097939794 553761280 /nfs/dbraw/zinc/76/12/80/553761280.db2.gz RDHHMLYPFMKJOA-IIMAJNMQSA-N 0 0 542.607 5.852 50 30 KKEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939831 553761556 /nfs/dbraw/zinc/76/15/56/553761556.db2.gz LMMODBDYLBQRDJ-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000097939813 553761584 /nfs/dbraw/zinc/76/15/84/553761584.db2.gz LBPRBHXZWNQERK-ICACTRECSA-N 0 0 598.696 6.038 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(F)c1 ZINC000097939860 553761905 /nfs/dbraw/zinc/76/19/05/553761905.db2.gz WNHDPIIAWBRJIM-IIMAJNMQSA-N 0 0 542.607 5.852 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939887 553762140 /nfs/dbraw/zinc/76/21/40/553762140.db2.gz OJPYAZCYSYBJHQ-QNLPTKCRSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000097939943 553762758 /nfs/dbraw/zinc/76/27/58/553762758.db2.gz SGEBLTFVENOUIO-UVDDSOTQSA-N 0 0 570.711 6.435 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939936 553762797 /nfs/dbraw/zinc/76/27/97/553762797.db2.gz AZHZUCPLBXNAJN-WKRVVKTRSA-N 0 0 554.643 5.721 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C)c1 ZINC000097939952 553762799 /nfs/dbraw/zinc/76/27/99/553762799.db2.gz BZGGORQTJLDJBD-SLGOVJDISA-N 0 0 538.644 6.021 50 30 KKEARN Cc1ccc2occ([C@H]3C(C(=O)OCCOc4ccccc4)=C(C)NC4=C3C(=O)C[C@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939983 553763031 /nfs/dbraw/zinc/76/30/31/553763031.db2.gz VPDSTZFMMLEODU-DFXYEROKSA-N 0 0 567.663 6.147 50 30 KKEARN CC(C)(C)Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000097940231 553764098 /nfs/dbraw/zinc/76/40/98/553764098.db2.gz PBEYHEYERPGMKL-UHFFFAOYSA-N 0 0 588.237 6.931 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000097940629 553766767 /nfs/dbraw/zinc/76/67/67/553766767.db2.gz DKVGLKQQPVCDJF-UHFFFAOYSA-N 0 0 548.409 6.162 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000097941687 553767500 /nfs/dbraw/zinc/76/75/00/553767500.db2.gz VZKDCBXOJYLWHU-UHFFFAOYSA-N 0 0 595.515 7.959 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\S/C(=N\N=c3/sc4ccccc4n3C)N\2c2ccccc2)cc1 ZINC000097944566 553770170 /nfs/dbraw/zinc/77/01/70/553770170.db2.gz JAMLGSMXQZVMAF-CLPZOSIQSA-N 0 0 578.723 7.143 50 30 KKEARN CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(/N=C/c2ccc(Cl)cc2)CCCCC1 ZINC000097944959 553770379 /nfs/dbraw/zinc/77/03/79/553770379.db2.gz VACVKJDNXXSACA-IVQIEAKQSA-N 0 0 530.931 8.212 50 30 KKEARN C=CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000097945575 553773198 /nfs/dbraw/zinc/77/31/98/553773198.db2.gz ZGTSSLFOFUDPSJ-UHFFFAOYSA-N 0 0 531.710 8.071 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097945616 553773388 /nfs/dbraw/zinc/77/33/88/553773388.db2.gz VWXYEYCOPUXSRN-ZTOMLWHTSA-N 0 0 532.606 7.755 50 30 KKEARN O=C(Cc1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000097945810 553774947 /nfs/dbraw/zinc/77/49/47/553774947.db2.gz XIQMHGHIBKBPHS-IANOAQMISA-N 0 0 537.034 7.622 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097946190 553777428 /nfs/dbraw/zinc/77/74/28/553777428.db2.gz FDIHEDDXOLHKTD-PLNPHXOGSA-N 0 0 602.716 5.134 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)SC1=S ZINC000097946426 553779271 /nfs/dbraw/zinc/77/92/71/553779271.db2.gz ANYDNCCEYDKXPF-VAMRJTSQSA-N 0 0 599.797 8.819 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000097946442 553779504 /nfs/dbraw/zinc/77/95/04/553779504.db2.gz YZYOAGMNCWYBKC-FSGOGVSDSA-N 0 0 636.670 9.597 50 30 KKEARN COc1cccc([C@@H](CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023445485 553779915 /nfs/dbraw/zinc/77/99/15/553779915.db2.gz OHJAKPDIZGQWMW-HHHXNRCGSA-N 0 0 524.448 5.590 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCCC)cc4)nn3c2=O)c(C)c1 ZINC000097946543 553780229 /nfs/dbraw/zinc/78/02/29/553780229.db2.gz ATIXTNIMLXEIJV-OFWBYEQRSA-N 0 0 589.721 6.271 50 30 KKEARN O=C(Nc1sc(N=NCc2cccs2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097946811 553781820 /nfs/dbraw/zinc/78/18/20/553781820.db2.gz LOCSJDUCUAZTRU-WYMPLXKRSA-N 0 0 517.861 6.986 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)ccc1O ZINC000097946876 553782121 /nfs/dbraw/zinc/78/21/21/553782121.db2.gz LEFYZXPANYFYHL-UVHMKAGCSA-N 0 0 557.857 6.639 50 30 KKEARN CN(C)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)s2)cc1 ZINC000097946873 553782182 /nfs/dbraw/zinc/78/21/82/553782182.db2.gz MUMHQJMKGONQAN-RWPZCVJISA-N 0 0 554.901 6.990 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1C ZINC000097947149 553784121 /nfs/dbraw/zinc/78/41/21/553784121.db2.gz FGADRXRFTMASTF-SXBRIOAWSA-N 0 0 536.635 7.247 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1C ZINC000097947147 553784132 /nfs/dbraw/zinc/78/41/32/553784132.db2.gz WLDNIELSEJRETQ-SJIPCVTESA-N 0 0 566.661 7.256 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O ZINC000097947237 553784736 /nfs/dbraw/zinc/78/47/36/553784736.db2.gz JJBUDTNUFAYIBH-GFMRDNFCSA-N 0 0 550.750 5.919 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S ZINC000097947331 553785516 /nfs/dbraw/zinc/78/55/16/553785516.db2.gz PIDMFPQLIFAPFN-MOHJPFBDSA-N 0 0 550.731 5.101 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097947489 553786493 /nfs/dbraw/zinc/78/64/93/553786493.db2.gz OOEXGZQEJORTJM-IQPMGOHCSA-N 0 0 690.778 5.150 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000097947471 553786501 /nfs/dbraw/zinc/78/65/01/553786501.db2.gz QAZHQXYVEHZTHK-MDINZUHSSA-N 0 0 688.806 5.699 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947669 553788132 /nfs/dbraw/zinc/78/81/32/553788132.db2.gz HLQZWHSSYMJXQK-MFCBUNOESA-N 0 0 609.487 5.457 50 30 KKEARN COc1cc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 ZINC000097947724 553788273 /nfs/dbraw/zinc/78/82/73/553788273.db2.gz KTFIEVKJWTVNPB-IWIPYMOSSA-N 0 0 586.040 7.518 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000097947820 553788858 /nfs/dbraw/zinc/78/88/58/553788858.db2.gz FLZOGKAAHVTOLP-XVODIUIHSA-N 0 0 542.679 7.885 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)cc1 ZINC000024116074 553789052 /nfs/dbraw/zinc/78/90/52/553789052.db2.gz OSYAAZKLHVPQPV-UHFFFAOYSA-N 0 0 527.621 5.465 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)cc2)cc1 ZINC000097947986 553790262 /nfs/dbraw/zinc/79/02/62/553790262.db2.gz YHSYTAQIHWMBKE-JQJBXXCASA-N 0 0 548.086 7.620 50 30 KKEARN C=CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000097948029 553790734 /nfs/dbraw/zinc/79/07/34/553790734.db2.gz USFSQOXAWMZEHH-HXUWFJFHSA-N 0 0 549.766 6.475 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000097948423 553793670 /nfs/dbraw/zinc/79/36/70/553793670.db2.gz SHMLAMTVWRCOHT-ULKXQASOSA-N 0 0 568.733 8.437 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(OCC)cc2)s1)[C@@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000025144365 553794436 /nfs/dbraw/zinc/79/44/36/553794436.db2.gz SAKGJWWOSSKMJL-SRAHKSBSSA-N 0 0 512.675 6.746 50 30 KKEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)cc3)CC2)cc1 ZINC000025150136 553796106 /nfs/dbraw/zinc/79/61/06/553796106.db2.gz SXRDLIXPRJGPRV-UHFFFAOYSA-N 0 0 517.511 5.252 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000097948803 553796905 /nfs/dbraw/zinc/79/69/05/553796905.db2.gz LAWAZZKJFXTFSY-VWLRAHFJSA-N 0 0 604.722 8.618 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000097948794 553796907 /nfs/dbraw/zinc/79/69/07/553796907.db2.gz PJKNVXLENSAYFX-ICACTRECSA-N 0 0 603.933 8.870 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000097948791 553796925 /nfs/dbraw/zinc/79/69/25/553796925.db2.gz PJKNVXLENSAYFX-APYJYERMSA-N 0 0 603.933 8.870 50 30 KKEARN N#Cc1ccc(C(=O)N2CCN(Cc3cccc(-c4noc(-c5cccc(C(F)(F)F)c5)n4)c3)CC2)cc1 ZINC000025152096 553796981 /nfs/dbraw/zinc/79/69/81/553796981.db2.gz YHJKSKJIWXYBKY-UHFFFAOYSA-N 0 0 517.511 5.252 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2Br)c1-c1ccc(C#N)cc1 ZINC000025154550 553797960 /nfs/dbraw/zinc/79/79/60/553797960.db2.gz YSOMBPPYJMSFJP-UHFFFAOYSA-N 0 0 502.412 6.831 50 30 KKEARN CC(C)(C)c1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000097948970 553798212 /nfs/dbraw/zinc/79/82/12/553798212.db2.gz JHRDMCPAFWRGOW-OHWKKVTOSA-N 0 0 622.806 9.402 50 30 KKEARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000097949009 553798406 /nfs/dbraw/zinc/79/84/06/553798406.db2.gz VVLJUSPPVBCKIM-JRPXNJEYSA-N 0 0 628.958 6.992 50 30 KKEARN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)nc2c1 ZINC000097949048 553798949 /nfs/dbraw/zinc/79/89/49/553798949.db2.gz RAZUVYCVHDHFDU-JEHQLEFQSA-N 0 0 634.733 7.412 50 30 KKEARN O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000097949128 553799667 /nfs/dbraw/zinc/79/96/67/553799667.db2.gz XBKPFHKXMHUTDB-UHFFFAOYSA-N 0 0 648.594 7.986 50 30 KKEARN CCCCCCCOC(=O)c1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(C(=O)OCCCCCCC)cc2)c4=O)cc1 ZINC000097949152 553799968 /nfs/dbraw/zinc/79/99/68/553799968.db2.gz DKHKISQXRRJLJX-UHFFFAOYSA-N 0 0 652.744 6.145 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3OCC)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000097949807 553803099 /nfs/dbraw/zinc/80/30/99/553803099.db2.gz LLJDPDHFBANEHH-ZWVRTZEQSA-N 0 0 538.688 7.575 50 30 KKEARN CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C ZINC000097949780 553803108 /nfs/dbraw/zinc/80/31/08/553803108.db2.gz KGXHHAOSGTYFPY-JOCHJYFZSA-N 0 0 533.456 6.089 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(/C=C/c3ccccc3)cc2)c1-c1ccc(C#N)cc1 ZINC000025163788 553803714 /nfs/dbraw/zinc/80/37/14/553803714.db2.gz QQDNOLKQRVWLFA-ZHACJKMWSA-N 0 0 525.652 8.239 50 30 KKEARN C=CCn1c(SCc2c(F)c(F)cc(F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000025165200 553804536 /nfs/dbraw/zinc/80/45/36/553804536.db2.gz URSFOYJYKHGAFT-UHFFFAOYSA-N 0 0 506.528 7.195 50 30 KKEARN CCCCCCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000097950465 553804548 /nfs/dbraw/zinc/80/45/48/553804548.db2.gz YOUQGMUALLHVTL-UHFFFAOYSA-N 0 0 500.734 6.380 50 30 KKEARN CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097950684 553805290 /nfs/dbraw/zinc/80/52/90/553805290.db2.gz DSZCVTUUSXZLNB-HNNXBMFYSA-N 0 0 503.721 5.909 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000097950749 553805515 /nfs/dbraw/zinc/80/55/15/553805515.db2.gz OMCIUWUAQDSRRE-QHCPKHFHSA-N 0 0 507.930 7.399 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000097950768 553805522 /nfs/dbraw/zinc/80/55/22/553805522.db2.gz HUADMUIHVDLSTB-DEOSSOPVSA-N 0 0 551.068 8.494 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950904 553805989 /nfs/dbraw/zinc/80/59/89/553805989.db2.gz YIFNREWHZZCZGX-QFIPXVFZSA-N 0 0 523.014 7.877 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000097950899 553805990 /nfs/dbraw/zinc/80/59/90/553805990.db2.gz OQVQCQWWLAUHIR-QFIPXVFZSA-N 0 0 542.817 8.765 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000097950934 553806245 /nfs/dbraw/zinc/80/62/45/553806245.db2.gz XIBZWAIQYSPCSF-DEOSSOPVSA-N 0 0 567.067 8.275 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097950930 553806291 /nfs/dbraw/zinc/80/62/91/553806291.db2.gz IXVVXDDMBHXOTC-QFIPXVFZSA-N 0 0 568.011 7.785 50 30 KKEARN Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1 ZINC000097951008 553806536 /nfs/dbraw/zinc/80/65/36/553806536.db2.gz QGHTZQYUZDWUFH-UHFFFAOYSA-N 0 0 532.094 6.435 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1C ZINC000097951050 553806741 /nfs/dbraw/zinc/80/67/41/553806741.db2.gz QKCIOJOUYDORMB-JLPGSUDCSA-N 0 0 523.643 5.153 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000097951337 553808307 /nfs/dbraw/zinc/80/83/07/553808307.db2.gz BXCHBLDCHMCNFZ-QCENPCRXSA-N 0 0 500.639 7.295 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000097951335 553808378 /nfs/dbraw/zinc/80/83/78/553808378.db2.gz MTJQYQFMQGLLCM-SSEXGKCCSA-N 0 0 548.724 8.654 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1c(O)ccc2ccccc21 ZINC000097951377 553808507 /nfs/dbraw/zinc/80/85/07/553808507.db2.gz KHRMGROSDQGBAR-UHFFFAOYSA-N 0 0 513.770 9.989 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097951361 553808564 /nfs/dbraw/zinc/80/85/64/553808564.db2.gz KHMKCBPFZMDBEK-SANMLTNESA-N 0 0 525.715 6.175 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000097951493 553809372 /nfs/dbraw/zinc/80/93/72/553809372.db2.gz DOEPIZPLUQLUHU-JGCGQSQUSA-N 0 0 531.781 9.363 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097951511 553809379 /nfs/dbraw/zinc/80/93/79/553809379.db2.gz KOTAOMVHBWCVLW-SSEXGKCCSA-N 0 0 548.724 8.654 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097951512 553809399 /nfs/dbraw/zinc/80/93/99/553809399.db2.gz KOTAOMVHBWCVLW-PMERELPUSA-N 0 0 548.724 8.654 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097951746 553811092 /nfs/dbraw/zinc/81/10/92/553811092.db2.gz HNKJOTIKEFESTF-RUZDIDTESA-N 0 0 542.613 5.881 50 30 KKEARN CCCC[NH+](CCCC)C[C@H](/C(C)=N/Nc1ccccc1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585178 553812184 /nfs/dbraw/zinc/81/21/84/553812184.db2.gz KKXZCQBJKCMAFH-ZTJNOXSCSA-N 0 0 539.720 7.637 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097952144 553813475 /nfs/dbraw/zinc/81/34/75/553813475.db2.gz FBIYOIPRBILANE-DEOSSOPVSA-N 0 0 516.107 6.430 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952228 553814143 /nfs/dbraw/zinc/81/41/43/553814143.db2.gz VBBXCKHMRUVKPI-AREMUKBSSA-N 0 0 526.614 6.215 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000097952219 553814232 /nfs/dbraw/zinc/81/42/32/553814232.db2.gz UXHWWQAFAIWGKL-MUUNZHRXSA-N 0 0 542.035 6.093 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952276 553814346 /nfs/dbraw/zinc/81/43/46/553814346.db2.gz ARRMPBFHFSHIII-DEOSSOPVSA-N 0 0 544.585 5.191 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952255 553814354 /nfs/dbraw/zinc/81/43/54/553814354.db2.gz OQLRNOXHGFFULW-RUZDIDTESA-N 0 0 533.049 7.084 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097952322 553815209 /nfs/dbraw/zinc/81/52/09/553815209.db2.gz CUSPUYMNXFOWGB-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952381 553815414 /nfs/dbraw/zinc/81/54/14/553815414.db2.gz RDCUTIUKPJKNRA-SANMLTNESA-N 0 0 544.629 6.194 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097952410 553815699 /nfs/dbraw/zinc/81/56/99/553815699.db2.gz CBHRXYPBWNSRNW-LJAQVGFWSA-N 0 0 536.584 5.462 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952548 553816679 /nfs/dbraw/zinc/81/66/79/553816679.db2.gz UDTHFYCXQCZIQD-JOCHJYFZSA-N 0 0 536.631 5.729 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097952577 553816710 /nfs/dbraw/zinc/81/67/10/553816710.db2.gz BLIWOHDKVXWZBL-SANMLTNESA-N 0 0 540.443 6.496 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952962 553818051 /nfs/dbraw/zinc/81/80/51/553818051.db2.gz QKNUXFNPFNQCCM-SANMLTNESA-N 0 0 542.613 5.866 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953013 553818508 /nfs/dbraw/zinc/81/85/08/553818508.db2.gz IJDHPCWMOZATDR-VWLOTQADSA-N 0 0 544.585 5.258 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953006 553818536 /nfs/dbraw/zinc/81/85/36/553818536.db2.gz QGFHJXVWMHBNAI-RUZDIDTESA-N 0 0 528.586 5.421 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097953125 553819470 /nfs/dbraw/zinc/81/94/70/553819470.db2.gz MWISUUFHUPYTFK-VWLOTQADSA-N 0 0 528.586 5.558 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097953128 553819476 /nfs/dbraw/zinc/81/94/76/553819476.db2.gz BSXFLBHOORMXDZ-MHZLTWQESA-N 0 0 533.577 5.407 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097953124 553819528 /nfs/dbraw/zinc/81/95/28/553819528.db2.gz MWISUUFHUPYTFK-RUZDIDTESA-N 0 0 528.586 5.558 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954005 553820623 /nfs/dbraw/zinc/82/06/23/553820623.db2.gz ZMDCQHHISBEVJV-DFXYEROKSA-N 0 0 532.596 5.763 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097954113 553821225 /nfs/dbraw/zinc/82/12/25/553821225.db2.gz CSGNTBDHMOTJSV-WKRVVKTRSA-N 0 0 531.608 6.623 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097954149 553821690 /nfs/dbraw/zinc/82/16/90/553821690.db2.gz MBAPXEGTLPWMMI-WRONEBCDSA-N 0 0 545.632 6.349 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000097954171 553822008 /nfs/dbraw/zinc/82/20/08/553822008.db2.gz RCXHUNAPIUXBEG-WJOKGBTCSA-N 0 0 543.840 10.127 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954503 553823490 /nfs/dbraw/zinc/82/34/90/553823490.db2.gz CCOYEDSVCDXTJJ-UVDDSOTQSA-N 0 0 531.608 6.368 50 30 KKEARN CCCCCCCSc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000097954631 553824382 /nfs/dbraw/zinc/82/43/82/553824382.db2.gz HJGPIHPNNKLFJI-UHFFFAOYSA-N 0 0 532.801 6.712 50 30 KKEARN O=C(N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000027025531 553824608 /nfs/dbraw/zinc/82/46/08/553824608.db2.gz MLJFBNBXMMWEQP-JBIOKXMTSA-N 0 0 512.824 6.791 50 30 KKEARN C[C@@H]1CCC[C@H](N2C(=O)[C@@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)[C@@H]1C ZINC000097954800 553825408 /nfs/dbraw/zinc/82/54/08/553825408.db2.gz VCISHJJEVWFBJA-WTXIOZGVSA-N 0 0 544.536 6.046 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000097954853 553825999 /nfs/dbraw/zinc/82/59/99/553825999.db2.gz UFBBVLSQAXZQGU-QHCPKHFHSA-N 0 0 534.634 5.898 50 30 KKEARN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000027500886 553826409 /nfs/dbraw/zinc/82/64/09/553826409.db2.gz QLYBSUDMZOIPLX-IBBHUPRXSA-N 0 0 507.804 8.502 50 30 KKEARN CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(NS(C)(=O)=O)c(O)c2)C1=O ZINC000097954975 553827084 /nfs/dbraw/zinc/82/70/84/553827084.db2.gz OONNEMVXTHLOPR-DEOSSOPVSA-N 0 0 536.779 7.295 50 30 KKEARN CCCc1cc(SCC(=O)Nc2sc3c(c2C(=O)OCC)C[C@@H](C)CC3)n2c3ccccc3nc2c1C#N ZINC000097954979 553827164 /nfs/dbraw/zinc/82/71/64/553827164.db2.gz ZFDYJTWSTMISKU-KRWDZBQOSA-N 0 0 546.718 6.405 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 ZINC000097955053 553827808 /nfs/dbraw/zinc/82/78/08/553827808.db2.gz ZEFURWKTNVJGGL-XMMPIXPASA-N 0 0 507.767 8.032 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000027522344 553828739 /nfs/dbraw/zinc/82/87/39/553828739.db2.gz QLDLDQUNNLLDAT-FJOMVMCCSA-N 0 0 524.042 5.560 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000027522349 553828763 /nfs/dbraw/zinc/82/87/63/553828763.db2.gz MMFJCPPJQUIWNP-LCOYAIQXSA-N 0 0 517.960 6.519 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955118 553828851 /nfs/dbraw/zinc/82/88/51/553828851.db2.gz XTCCZDXGNQAXNB-BZQUYTCOSA-N 0 0 547.032 6.455 50 30 KKEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522525 553829320 /nfs/dbraw/zinc/82/93/20/553829320.db2.gz LHTFEVAWMDBTRX-FJOMVMCCSA-N 0 0 524.042 5.908 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000027522538 553829330 /nfs/dbraw/zinc/82/93/30/553829330.db2.gz VIEXWILYSFGYGV-JVEWKGNHSA-N 0 0 522.026 5.330 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000027522531 553829338 /nfs/dbraw/zinc/82/93/38/553829338.db2.gz TUYKTGHSIKRGAB-SQVRLAAPSA-N 0 0 512.006 6.038 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097955185 553829414 /nfs/dbraw/zinc/82/94/14/553829414.db2.gz PIOZQPXFOJQUMO-MUUNZHRXSA-N 0 0 596.705 6.861 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955161 553829486 /nfs/dbraw/zinc/82/94/86/553829486.db2.gz DBJNMHIIWNKVFE-QLXKLKPCSA-N 0 0 526.614 6.028 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955171 553829502 /nfs/dbraw/zinc/82/95/02/553829502.db2.gz KQPYGYLAGMSVCU-UPCLLVRISA-N 0 0 560.628 5.299 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955197 553829867 /nfs/dbraw/zinc/82/98/67/553829867.db2.gz HLWCUSDINRGWJD-UPCLLVRISA-N 0 0 546.645 5.858 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955246 553830113 /nfs/dbraw/zinc/83/01/13/553830113.db2.gz ZJAGHHNVGGFHQH-QLXKLKPCSA-N 0 0 526.614 6.110 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955251 553830231 /nfs/dbraw/zinc/83/02/31/553830231.db2.gz FVPXETVHVVYOPQ-JIYROHSKSA-N 0 0 569.698 6.799 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955260 553830237 /nfs/dbraw/zinc/83/02/37/553830237.db2.gz FSWZYYONRZLUSZ-MYUZEXMDSA-N 0 0 538.625 6.276 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C(\O)c2c(-c3ccccc3)c3c4n2cc(-c2ccc(Cl)cc2)n4CCCC3)cc1 ZINC000097955285 553830747 /nfs/dbraw/zinc/83/07/47/553830747.db2.gz MXWYYEUZQSMYOG-UHFFFAOYSA-N 0 0 544.076 7.066 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097955611 553831977 /nfs/dbraw/zinc/83/19/77/553831977.db2.gz RMWCCLOOBRJDTN-KCWXNJEJSA-N 0 0 535.600 5.667 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955628 553832018 /nfs/dbraw/zinc/83/20/18/553832018.db2.gz ATCIFEOOTWDWKI-PLTNMMHCSA-N 0 0 604.684 6.990 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000097955646 553832370 /nfs/dbraw/zinc/83/23/70/553832370.db2.gz KHFKIBALSXSCIY-MYYSRTQBSA-N 0 0 550.405 5.265 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000097955644 553832534 /nfs/dbraw/zinc/83/25/34/553832534.db2.gz KHFKIBALSXSCIY-OYLFLEFRSA-N 0 0 550.405 5.265 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955664 553832574 /nfs/dbraw/zinc/83/25/74/553832574.db2.gz MNDYHPRRHDTCDQ-PUAOIOHZSA-N 0 0 540.597 5.498 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547613 553832966 /nfs/dbraw/zinc/83/29/66/553832966.db2.gz LMZQAUGREPMDBF-HSZRJFAPSA-N 0 0 504.936 6.364 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccs2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547535 553833028 /nfs/dbraw/zinc/83/30/28/553833028.db2.gz HZWQXRGJIAMJCW-QYBDOPJKSA-N 0 0 508.565 6.767 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955714 553833234 /nfs/dbraw/zinc/83/32/34/553833234.db2.gz XHABPQRVFHKLBF-QTEAWJPNSA-N 0 0 592.648 7.121 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000027550904 553834289 /nfs/dbraw/zinc/83/42/89/553834289.db2.gz NLHVFWBISXKVCH-FNZWTVRRSA-N 0 0 515.704 6.482 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000027550817 553834396 /nfs/dbraw/zinc/83/43/96/553834396.db2.gz ORIJFVGZWBZVCO-NRFANRHFSA-N 0 0 520.642 7.040 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1cc(C)sc1C ZINC000027551758 553834680 /nfs/dbraw/zinc/83/46/80/553834680.db2.gz XGJOMJMVUSVRLG-DCEDVJGZSA-N 0 0 523.651 5.087 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955849 553834667 /nfs/dbraw/zinc/83/46/67/553834667.db2.gz BSHIIZCSTUITQC-SGANQWHYSA-N 0 0 528.586 5.420 50 30 KKEARN C=CCN(C(=O)c1ccc(-c2ccc(C3CCCCC3)cc2)s1)[C@H]1C[C@H]2c3ccccc3C(=O)N2[C@H](/C=C/C)C1 ZINC000097955992 553835435 /nfs/dbraw/zinc/83/54/35/553835435.db2.gz BXASGWTXRFZPJC-ZKRNKBQKSA-N 0 0 550.768 8.395 50 30 KKEARN N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2=O)cc1 ZINC000097956024 553835739 /nfs/dbraw/zinc/83/57/39/553835739.db2.gz BJDIGBUVNYHLOJ-UHFFFAOYSA-N 0 0 563.698 5.618 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000027662407 553836192 /nfs/dbraw/zinc/83/61/92/553836192.db2.gz KPVOWYCPWDKODC-NRFANRHFSA-N 0 0 512.356 5.152 50 30 KKEARN O=C(c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1)N1CCC[C@H]1COc1ccc(F)cc1 ZINC000097956116 553836305 /nfs/dbraw/zinc/83/63/05/553836305.db2.gz YTMSXBRPSLVVJB-FQEVSTJZSA-N 0 0 537.389 5.040 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956235 553837043 /nfs/dbraw/zinc/83/70/43/553837043.db2.gz HQUYXDKPWGFUHU-QYBDOPJKSA-N 0 0 524.598 5.828 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ncccc31)O2 ZINC000097956249 553837085 /nfs/dbraw/zinc/83/70/85/553837085.db2.gz FSTDRUHGQQDWCL-LHEWISCISA-N 0 0 567.862 11.085 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000027994398 553837132 /nfs/dbraw/zinc/83/71/32/553837132.db2.gz AWYCGUNODXQKAG-BDYUSTAISA-N 0 0 517.025 5.300 50 30 KKEARN N#Cc1ccccc1N1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000097956450 553839048 /nfs/dbraw/zinc/83/90/48/553839048.db2.gz OYAGOMBUTZPWPA-ONUIUJJFSA-N 0 0 543.048 5.411 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956547 553839428 /nfs/dbraw/zinc/83/94/28/553839428.db2.gz INPODPIXYPKURC-AKJBCIBTSA-N 0 0 542.588 6.107 50 30 KKEARN Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCC(=O)Nc5ccccc5[N+](=O)[O-])n42)COC(C)(C)C3)cc1 ZINC000097956607 553840161 /nfs/dbraw/zinc/84/01/61/553840161.db2.gz LSUGUEJMYZGGNV-UHFFFAOYSA-N 0 0 543.609 5.143 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000028627970 553843004 /nfs/dbraw/zinc/84/30/04/553843004.db2.gz FSHREYLAAUFCBT-CNEWXIHYSA-N 0 0 500.624 5.184 50 30 KKEARN CCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097956971 553843362 /nfs/dbraw/zinc/84/33/62/553843362.db2.gz GEVXDYNNTZMSLQ-PZGXJGMVSA-N 0 0 534.578 7.328 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(C3(c4ccc(/N=C/c5ccc([N+](=O)[O-])cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 ZINC000029492750 553845781 /nfs/dbraw/zinc/84/57/81/553845781.db2.gz RFPFIQCGQXZBMR-QHTJZBTGSA-N 0 0 614.661 9.367 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000097957783 553848344 /nfs/dbraw/zinc/84/83/44/553848344.db2.gz KFQGRWVJPXGJKP-IMEPGBNMSA-N 0 0 575.687 5.474 50 30 KKEARN C=CCc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c2ccccc21 ZINC000097958844 553858439 /nfs/dbraw/zinc/85/84/39/553858439.db2.gz XJAWJRZLKMYLOD-OESGDKRZSA-N 0 0 561.667 6.147 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)N=C3SC(C(C)C)=NN3C2=N)cc1OC ZINC000097959204 553861740 /nfs/dbraw/zinc/86/17/40/553861740.db2.gz DISMADHYWCSMRF-ZPTCNBJASA-N 0 0 583.508 5.919 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccccc3Cl)c(OCC)c2)SC1=S ZINC000097959480 553863981 /nfs/dbraw/zinc/86/39/81/553863981.db2.gz GANYGQRONBJXHY-RCCKNPSSSA-N 0 0 524.491 6.627 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097959631 553865139 /nfs/dbraw/zinc/86/51/39/553865139.db2.gz OFODLODTODMSHI-HFJFZZAHSA-N 0 0 560.022 6.414 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097959642 553865201 /nfs/dbraw/zinc/86/52/01/553865201.db2.gz PUUVWMCYISHGAY-WNMDNWPKSA-N 0 0 523.998 5.238 50 30 KKEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)c1 ZINC000097959704 553865439 /nfs/dbraw/zinc/86/54/39/553865439.db2.gz IBDBFSNYFBLSNC-HFBYFEGMSA-N 0 0 560.022 6.414 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959688 553865447 /nfs/dbraw/zinc/86/54/47/553865447.db2.gz RTWSAUGCGNRPJZ-YICFVICHSA-N 0 0 579.650 5.223 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000097959711 553865811 /nfs/dbraw/zinc/86/58/11/553865811.db2.gz XHMZZMSAAONJCY-LVGDFUMNSA-N 0 0 551.640 5.445 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OC)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959714 553865844 /nfs/dbraw/zinc/86/58/44/553865844.db2.gz LHMULWNWFOCEAE-PYMNRZMWSA-N 0 0 591.686 5.092 50 30 KKEARN COC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccc(OC)cc4)C3=O)o2)c(C)c1 ZINC000097959832 553866474 /nfs/dbraw/zinc/86/64/74/553866474.db2.gz UGRHQLCZGACVFA-QSTDEECPSA-N 0 0 538.625 6.854 50 30 KKEARN COc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1OC ZINC000032496243 553867418 /nfs/dbraw/zinc/86/74/18/553867418.db2.gz KYPXBBGRQMMVRC-QRQIAZFYSA-N 0 0 503.400 6.061 50 30 KKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000097960094 553868048 /nfs/dbraw/zinc/86/80/48/553868048.db2.gz DIVKLDHOMKWEGI-UDWIEESQSA-N 0 0 656.258 6.506 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(Cc4ccc(OC)cc4)C3=O)o2)cc1 ZINC000097960158 553868628 /nfs/dbraw/zinc/86/86/28/553868628.db2.gz XBMALMIQDZHOBR-OVENYABFSA-N 0 0 538.625 6.936 50 30 KKEARN C=CCn1c(C)cc(-c2csc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c54)CC3)n2)c1C ZINC000032727322 553873756 /nfs/dbraw/zinc/87/37/56/553873756.db2.gz AUHDBBRBLZFURA-UHFFFAOYSA-N 0 0 506.701 5.891 50 30 KKEARN Cc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1 ZINC000097960934 553874404 /nfs/dbraw/zinc/87/44/04/553874404.db2.gz WNMGBRUZDSAZOX-MFKUBSTISA-N 0 0 529.403 5.164 50 30 KKEARN COc1cc(C(=O)Oc2cc3c4c(c2)[C@H](C)CC(C)(C)N4C(=O)/C3=N/c2ccc(F)cc2)cc(OC)c1OC ZINC000097961720 553880325 /nfs/dbraw/zinc/88/03/25/553880325.db2.gz HOYZHNXJUSNBIV-XOPVMUJGSA-N 0 0 532.568 5.824 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000097962052 553882816 /nfs/dbraw/zinc/88/28/16/553882816.db2.gz YCRAHEMLDDKWMR-DTUGYKJQSA-N 0 0 603.639 5.481 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccc(C)cc5)nc4c32)cc1OC ZINC000097962059 553882832 /nfs/dbraw/zinc/88/28/32/553882832.db2.gz RFXONDIWJWNYBG-PQEJWMJVSA-N 0 0 571.637 6.830 50 30 KKEARN C=CCc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000097962222 553883882 /nfs/dbraw/zinc/88/38/82/553883882.db2.gz CVPGSFMTDXKXKW-AFUMVMLFSA-N 0 0 618.977 8.354 50 30 KKEARN O=S(=O)(N/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1)c1ccc2ccccc2c1 ZINC000097962944 553886056 /nfs/dbraw/zinc/88/60/56/553886056.db2.gz GRZWCRLWRCCCSU-UXHLAJHPSA-N 0 0 545.458 6.647 50 30 KKEARN CCCC(=O)N1c2ccc(CC)cc2-c2nnc(SCCC(C)C)nc2O[C@H]1c1ccc(C#N)cc1 ZINC000032997938 553887568 /nfs/dbraw/zinc/88/75/68/553887568.db2.gz LAFNSBUUQRPWJC-MHZLTWQESA-N 0 0 501.656 6.335 50 30 KKEARN Cc1cc(Br)c(Nc2nc(N=NCc3ccccc3OCc3ccc(Cl)cc3Cl)nc(N3CCOCC3)n2)cc1Cl ZINC000097965058 553902526 /nfs/dbraw/zinc/90/25/26/553902526.db2.gz KMSLDBHWIRKAJU-ROPCREHHSA-N 0 0 677.818 7.508 50 30 KKEARN F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C=NNc2ncnc3[nH]cnc32)cc1OC(F)(F)[C@H](F)C(F)(F)F ZINC000097965326 553904156 /nfs/dbraw/zinc/90/41/56/553904156.db2.gz LZDKHMCNTBMNCF-UPGLVFKPSA-N 0 0 570.294 5.543 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965439 553904503 /nfs/dbraw/zinc/90/45/03/553904503.db2.gz KDICSMTUWYWHKK-WTYJXDNXSA-N 0 0 544.014 5.865 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(CN=Nc3nc4ccccc4[nH]3)c3ccccc3C2c2ccccc21 ZINC000097965444 553904790 /nfs/dbraw/zinc/90/47/90/553904790.db2.gz LSCAIUGOFICGHC-WTYJXDNXSA-N 0 0 527.559 5.351 50 30 KKEARN CC[C@H]1CCc2c(sc(/N=C/c3cc(Br)ccc3OCc3ccccc3Cl)c2C(=O)NC2CCCCC2)C1 ZINC000097965626 553905452 /nfs/dbraw/zinc/90/54/52/553905452.db2.gz ODCPDBPRNIQKRN-BWVZCWHBSA-N 0 0 614.049 9.071 50 30 KKEARN N=C(Nc1nccs1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000097965541 553905532 /nfs/dbraw/zinc/90/55/32/553905532.db2.gz MNABUQLNPCOOIG-IYSWYEEDSA-N 0 0 577.216 6.004 50 30 KKEARN CCCCc1ccc(S(=O)(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1 ZINC000097965681 553905801 /nfs/dbraw/zinc/90/58/01/553905801.db2.gz QSGYELXDGAKCGA-XAZZYMPDSA-N 0 0 541.489 5.503 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000097965688 553905837 /nfs/dbraw/zinc/90/58/37/553905837.db2.gz CCTZRDRNLPYSOL-XKJRVUDJSA-N 0 0 532.041 6.474 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccco2)cc1OC ZINC000097965912 553906048 /nfs/dbraw/zinc/90/60/48/553906048.db2.gz OYHUGIJBBMUHPP-RAHWAXCDSA-N 0 0 577.601 5.455 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097966274 553907909 /nfs/dbraw/zinc/90/79/09/553907909.db2.gz AJBIDPGWUXFFJB-GGFNOCKGSA-N 0 0 545.664 7.340 50 30 KKEARN COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097966725 553909844 /nfs/dbraw/zinc/90/98/44/553909844.db2.gz ZNJSLYKNGLLUKI-HFJFZZAHSA-N 0 0 573.549 5.483 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000097966863 553911139 /nfs/dbraw/zinc/91/11/39/553911139.db2.gz LINCXWRYHTXPFC-PMERELPUSA-N 0 0 600.613 9.648 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000097966897 553911421 /nfs/dbraw/zinc/91/14/21/553911421.db2.gz DGXCQHQFGBQNHU-DHUJRADRSA-N 0 0 618.730 6.667 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097966873 553911451 /nfs/dbraw/zinc/91/14/51/553911451.db2.gz XWAPJBABMACFLN-HKBQPEDESA-N 0 0 578.750 8.663 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000097966918 553911936 /nfs/dbraw/zinc/91/19/36/553911936.db2.gz GGSZPINMMQFCSU-AREMUKBSSA-N 0 0 571.512 5.237 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097966935 553911977 /nfs/dbraw/zinc/91/19/77/553911977.db2.gz YSXGXWWJIBTCAX-MHZLTWQESA-N 0 0 582.678 6.607 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000097967047 553913012 /nfs/dbraw/zinc/91/30/12/553913012.db2.gz LSQRGCCOAXAQCM-SANMLTNESA-N 0 0 571.512 5.093 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F ZINC000097967043 553913038 /nfs/dbraw/zinc/91/30/38/553913038.db2.gz JPBZRLYZTJNJFE-SSEXGKCCSA-N 0 0 566.714 8.794 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097967068 553913402 /nfs/dbraw/zinc/91/34/02/553913402.db2.gz LLKGDUXEAYJESP-MUUNZHRXSA-N 0 0 596.705 6.861 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967202 553915308 /nfs/dbraw/zinc/91/53/08/553915308.db2.gz PFNXADBMZQSIJS-GTYOFVGBSA-N 0 0 592.733 5.278 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000097967268 553916179 /nfs/dbraw/zinc/91/61/79/553916179.db2.gz LZLCITKDVUMLFZ-IPPBACCNSA-N 0 0 542.444 7.189 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967364 553917526 /nfs/dbraw/zinc/91/75/26/553917526.db2.gz OLYIFRFKODBTJX-RBSBEOHCSA-N 0 0 600.693 6.599 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967370 553917691 /nfs/dbraw/zinc/91/76/91/553917691.db2.gz QZGMFLBIMAGHDE-YMGMXPECSA-N 0 0 586.666 6.209 50 30 KKEARN CCC/N=C(C)/C(C(=O)OCC(C)C)=C1/SN(c2ccc(F)cc2)C(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000097967477 553918841 /nfs/dbraw/zinc/91/88/41/553918841.db2.gz NGZHIRHMEHXIBC-GTUBDFQJSA-N 0 0 554.540 7.674 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967483 553918852 /nfs/dbraw/zinc/91/88/52/553918852.db2.gz JPOXTEIXQAKOMZ-IIMAJNMQSA-N 0 0 556.659 6.151 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967457 553918940 /nfs/dbraw/zinc/91/89/40/553918940.db2.gz JRKIGLPJKGMXEQ-APYJYERMSA-N 0 0 602.712 7.598 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967515 553919520 /nfs/dbraw/zinc/91/95/20/553919520.db2.gz ZERQKSOSMFROFS-WRHNGFHOSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000097967516 553919801 /nfs/dbraw/zinc/91/98/01/553919801.db2.gz CNEKSWZMLWGKAY-SSEXGKCCSA-N 0 0 572.617 10.053 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967565 553920174 /nfs/dbraw/zinc/92/01/74/553920174.db2.gz GYKHENBMFVNPET-ROTAYESASA-N 0 0 612.748 7.679 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967610 553920573 /nfs/dbraw/zinc/92/05/73/553920573.db2.gz SGPLLRQOKWLXMN-SOKVYYICSA-N 0 0 554.624 5.976 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967695 553921801 /nfs/dbraw/zinc/92/18/01/553921801.db2.gz VYSLINBLAANUHM-QPHCHLROSA-N 0 0 622.674 7.129 50 30 KKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)CN(Cc2ccccc2)C/C1=C/c1c(Cl)cccc1Cl ZINC000033349538 553922192 /nfs/dbraw/zinc/92/21/92/553922192.db2.gz OZVYOTZHBNPPOB-MGYAYREDSA-N 0 0 503.256 7.852 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967719 553922268 /nfs/dbraw/zinc/92/22/68/553922268.db2.gz AKPYIBNLIPDZIL-WRGVRERRSA-N 0 0 598.721 7.289 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967747 553922656 /nfs/dbraw/zinc/92/26/56/553922656.db2.gz CUMUMGYDMBJQRI-GDJIYFAZSA-N 0 0 554.668 6.890 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967741 553922871 /nfs/dbraw/zinc/92/28/71/553922871.db2.gz OKRLTLJLJVLJQX-HZAQMHFWSA-N 0 0 633.166 7.880 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000033353056 553922892 /nfs/dbraw/zinc/92/28/92/553922892.db2.gz MIYKMXGJBGGFCI-PMERELPUSA-N 0 0 530.794 7.392 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967789 553923030 /nfs/dbraw/zinc/92/30/30/553923030.db2.gz PYDWLZXQVPBKTC-KWMCUTETSA-N 0 0 583.666 5.931 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967797 553923065 /nfs/dbraw/zinc/92/30/65/553923065.db2.gz XXUBZLYDLVEBPR-SLQAJWMNSA-N 0 0 584.694 6.980 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967841 553923993 /nfs/dbraw/zinc/92/39/93/553923993.db2.gz BZMSPPBTQPMMFS-XDBZFTIUSA-N 0 0 570.667 6.590 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000033353434 553925030 /nfs/dbraw/zinc/92/50/30/553925030.db2.gz UROPEGASBUUIRH-PZGXJGMVSA-N 0 0 588.498 6.311 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1Br ZINC000033353474 553925411 /nfs/dbraw/zinc/92/54/11/553925411.db2.gz HHWKKIAHWWCMFY-VVVJYQBDSA-N 0 0 558.501 7.446 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967974 553925767 /nfs/dbraw/zinc/92/57/67/553925767.db2.gz HNZOOVNIBPEEAI-XGCWNURASA-N 0 0 652.625 8.367 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967982 553925784 /nfs/dbraw/zinc/92/57/84/553925784.db2.gz BPKNZSOEMHGBBX-CRYYWNKWSA-N 0 0 558.631 6.721 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967972 553925809 /nfs/dbraw/zinc/92/58/09/553925809.db2.gz HNZOOVNIBPEEAI-CRYYWNKWSA-N 0 0 652.625 8.367 50 30 KKEARN COC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000033353762 553926766 /nfs/dbraw/zinc/92/67/66/553926766.db2.gz GUXUNOPPJHUXRK-UHFFFAOYSA-N 0 0 519.351 5.081 50 30 KKEARN CCCCc1ccc(C#N)c(SCc2c(C(=O)OCC)c3cc(OC(C)=O)c(Br)cc3n2C)n1 ZINC000033353823 553927269 /nfs/dbraw/zinc/92/72/69/553927269.db2.gz DLKKIROMBWVHJI-UHFFFAOYSA-N 0 0 544.471 5.944 50 30 KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccco2)cc1 ZINC000097968096 553927443 /nfs/dbraw/zinc/92/74/43/553927443.db2.gz WHICVGKEUWUGOU-FWTQKNDTSA-N 0 0 547.575 5.447 50 30 KKEARN CCCCCCCCCCCCCCCCCNN=C1CSc2sc(=S)sc2SC1 ZINC000033353909 553927562 /nfs/dbraw/zinc/92/75/62/553927562.db2.gz HHDRDSDPTNUMPH-UHFFFAOYSA-N 0 0 504.922 9.554 50 30 KKEARN C[C@@H]1C[C@@H](C)CN(c2c(F)c(F)c([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)c(F)c2F)C1 ZINC000033354309 553929183 /nfs/dbraw/zinc/92/91/83/553929183.db2.gz WOBOHAUGVJYBLL-ZJFXZWFHSA-N 0 0 536.613 8.188 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(C)cc2)cc1 ZINC000097968315 553930309 /nfs/dbraw/zinc/93/03/09/553930309.db2.gz ZFAZBHOJQPPGGD-CTXJTIKKSA-N 0 0 557.614 5.772 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000033354693 553930847 /nfs/dbraw/zinc/93/08/47/553930847.db2.gz KTDIKEKGDOVVHM-IJAHGLKVSA-N 0 0 619.161 8.639 50 30 KKEARN CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000033354720 553931256 /nfs/dbraw/zinc/93/12/56/553931256.db2.gz YAQPZOIQRJJGSW-MKFPQRGTSA-N 0 0 537.748 8.415 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000033354843 553931917 /nfs/dbraw/zinc/93/19/17/553931917.db2.gz PYDYSKSKXOXCLR-UHFFFAOYSA-N 0 0 545.458 7.042 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000097968401 553932040 /nfs/dbraw/zinc/93/20/40/553932040.db2.gz NFLJLZXSNVQXBA-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000097968446 553932340 /nfs/dbraw/zinc/93/23/40/553932340.db2.gz LCLRKFIIKFDANZ-SSEXGKCCSA-N 0 0 534.612 6.748 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033354986 553932687 /nfs/dbraw/zinc/93/26/87/553932687.db2.gz AERKSHSLNAQWEZ-WYMJOSIYSA-N 0 0 599.615 5.261 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Br)cc3)n1CCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000097968503 553932801 /nfs/dbraw/zinc/93/28/01/553932801.db2.gz NJKKZJRJSWRFNP-PPOKSSTKSA-N 0 0 567.531 7.120 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccccc2Cl)cc1 ZINC000097968584 553933496 /nfs/dbraw/zinc/93/34/96/553933496.db2.gz YAOIVWJIAAPFMC-DQHMDIJASA-N 0 0 556.471 6.331 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000097968592 553933796 /nfs/dbraw/zinc/93/37/96/553933796.db2.gz PLJZRWFJKPAABG-FEEXRDNLSA-N 0 0 556.471 6.331 50 30 KKEARN CCOc1c(I)cc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc1OC ZINC000033355282 553933975 /nfs/dbraw/zinc/93/39/75/553933975.db2.gz YXYPKGZRBHBFFE-QDTIIGTASA-N 0 0 702.779 5.634 50 30 KKEARN CCOc1ccc(Br)cc1C=c1sc(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(-c2ccccc2)c1=O ZINC000097968759 553934302 /nfs/dbraw/zinc/93/43/02/553934302.db2.gz CBTXJSCAQAANJJ-VEXHCRHESA-N 0 0 615.336 6.158 50 30 KKEARN CC(=O)C(N=Nc1ccc(Br)cc1)=C(C)NCCNC(C)=C(N=Nc1ccc(Br)cc1)C(C)=O ZINC000097968906 553934921 /nfs/dbraw/zinc/93/49/21/553934921.db2.gz SMJJIXFRLMBCEP-NECWGQGISA-N 0 0 590.320 5.547 50 30 KKEARN Cc1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)cc1C ZINC000097968951 553935159 /nfs/dbraw/zinc/93/51/59/553935159.db2.gz ZBBMQNBIKFNBNS-YLJYHGGMSA-N 0 0 552.055 6.221 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=c1sc(=Cc2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000097968953 553935165 /nfs/dbraw/zinc/93/51/65/553935165.db2.gz ZQMKFVKQHKGZIE-RKPOSHQWSA-N 0 0 571.283 5.760 50 30 KKEARN CC(C)c1ccc(NC(=O)C(C#N)=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2-c2ccccc2)cc1 ZINC000097968949 553935202 /nfs/dbraw/zinc/93/52/02/553935202.db2.gz LHEVZTCRLOZPSG-BBDMNEDCSA-N 0 0 566.082 6.727 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1 ZINC000097969026 553935823 /nfs/dbraw/zinc/93/58/23/553935823.db2.gz UVBCXWLRVBVVKU-GDLZYMKVSA-N 0 0 544.623 5.014 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000097969007 553935908 /nfs/dbraw/zinc/93/59/08/553935908.db2.gz VYCHKRZEEVFMSZ-SSEXGKCCSA-N 0 0 540.660 5.047 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969054 553936256 /nfs/dbraw/zinc/93/62/56/553936256.db2.gz WOLAHNOERCKQSL-SSEXGKCCSA-N 0 0 627.620 9.417 50 30 KKEARN COc1cc([C@@H]2OC(c3sc(NC(C)=O)c(C#N)c3C)=NN2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033355805 553937303 /nfs/dbraw/zinc/93/73/03/553937303.db2.gz PHSCYZZWHKGBOQ-SANMLTNESA-N 0 0 573.458 6.020 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969167 553937460 /nfs/dbraw/zinc/93/74/60/553937460.db2.gz LVGMFGYIHJAUCX-CRICUBBOSA-N 0 0 574.655 5.689 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969220 553938437 /nfs/dbraw/zinc/93/84/37/553938437.db2.gz QXRKLODPIHWLMY-RKOGDMNLSA-N 0 0 591.085 6.853 50 30 KKEARN CCOc1ccc(NC(=O)C(C#N)=c2sc(=Cc3cc(Br)ccc3OCC)c(=O)n2-c2ccccc2)cc1 ZINC000097969311 553939289 /nfs/dbraw/zinc/93/92/89/553939289.db2.gz WOQDSNFGTLVBBP-WIVSVQHBSA-N 0 0 590.499 5.250 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000097969308 553939479 /nfs/dbraw/zinc/93/94/79/553939479.db2.gz JSLHESFWNCGKAX-PMERELPUSA-N 0 0 567.594 5.807 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000097969314 553939826 /nfs/dbraw/zinc/93/98/26/553939826.db2.gz XZHHXIZGMPCJTB-SSEXGKCCSA-N 0 0 550.611 5.852 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969345 553940221 /nfs/dbraw/zinc/94/02/21/553940221.db2.gz DNFMFETXZLXHDJ-WHLCRQNOSA-N 0 0 554.668 6.808 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969366 553940225 /nfs/dbraw/zinc/94/02/25/553940225.db2.gz ZCAPDYOJLPDYGN-PRAQEBQASA-N 0 0 635.767 7.489 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969393 553940330 /nfs/dbraw/zinc/94/03/30/553940330.db2.gz NXKOVFJGOJPYMD-JPQMRUPTSA-N 0 0 569.698 6.655 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000097969385 553940423 /nfs/dbraw/zinc/94/04/23/553940423.db2.gz KINVHWKBDIGARP-LJAQVGFWSA-N 0 0 559.615 5.050 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000097969422 553940822 /nfs/dbraw/zinc/94/08/22/553940822.db2.gz LFVQFIBNKGWUIU-PGUFJCEWSA-N 0 0 618.730 6.667 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969609 553942883 /nfs/dbraw/zinc/94/28/83/553942883.db2.gz WWYFWOHMVRIIKD-WRHNGFHOSA-N 0 0 568.651 6.366 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969634 553943492 /nfs/dbraw/zinc/94/34/92/553943492.db2.gz ACJNYJQJTNARRZ-PWECECGKSA-N 0 0 563.031 6.073 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969714 553943829 /nfs/dbraw/zinc/94/38/29/553943829.db2.gz UQRHJUPLFOVOGR-SOKVYYICSA-N 0 0 556.640 6.118 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097969747 553944080 /nfs/dbraw/zinc/94/40/80/553944080.db2.gz YZODNSBQQHXSKD-HKBQPEDESA-N 0 0 571.670 6.247 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969727 553944102 /nfs/dbraw/zinc/94/41/02/553944102.db2.gz UWMVUGWZDZLXJR-YTTGMZPUSA-N 0 0 634.710 7.137 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000097969770 553944555 /nfs/dbraw/zinc/94/45/55/553944555.db2.gz IBUPESBBQNZKTD-VFLNYLIXSA-N 0 0 532.880 8.194 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969766 553944644 /nfs/dbraw/zinc/94/46/44/553944644.db2.gz OLPMHUOXIYCYMM-HZAQMHFWSA-N 0 0 590.657 7.204 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969809 553945662 /nfs/dbraw/zinc/94/56/62/553945662.db2.gz XHAMUIFALSWGGX-NDEPHWFRSA-N 0 0 586.666 6.284 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969851 553945960 /nfs/dbraw/zinc/94/59/60/553945960.db2.gz PZDCVIWSIFGELU-ADSBAMQRSA-N 0 0 614.720 6.989 50 30 KKEARN O=C(NO)C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000033357021 553946107 /nfs/dbraw/zinc/94/61/07/553946107.db2.gz BKFMLEKDAVIKHI-UHFFFAOYSA-N 0 0 550.302 5.259 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969903 553946893 /nfs/dbraw/zinc/94/68/93/553946893.db2.gz PZTKHLNGNIMOAY-HZAQMHFWSA-N 0 0 592.648 7.121 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969907 553946932 /nfs/dbraw/zinc/94/69/32/553946932.db2.gz VVECYNPUMUNUOT-LDLUVENISA-N 0 0 619.139 7.634 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969934 553947348 /nfs/dbraw/zinc/94/73/48/553947348.db2.gz ZAXUHVPMBSINAN-QUGAMOGWSA-N 0 0 554.624 5.806 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969974 553947652 /nfs/dbraw/zinc/94/76/52/553947652.db2.gz HPIFBDUJHKNDTA-PVPMGCCUSA-N 0 0 558.612 5.428 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969983 553947675 /nfs/dbraw/zinc/94/76/75/553947675.db2.gz QYCCUQNGZKWEFR-GFJKYASSSA-N 0 0 642.774 7.769 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970046 553948387 /nfs/dbraw/zinc/94/83/87/553948387.db2.gz IJEYLKQMARZSCU-SONOPUAISA-N 0 0 584.694 6.899 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000097970024 553948453 /nfs/dbraw/zinc/94/84/53/553948453.db2.gz MAKBEERBTPRDFR-VPUKRXIYSA-N 0 0 553.298 8.457 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970093 553949617 /nfs/dbraw/zinc/94/96/17/553949617.db2.gz ZQCDVDKJXAEKPK-UKPGIYTDSA-N 0 0 612.748 7.535 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970154 553950430 /nfs/dbraw/zinc/95/04/30/553950430.db2.gz JZYLIHHAJMSMOA-AREMUKBSSA-N 0 0 556.596 5.424 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970172 553950455 /nfs/dbraw/zinc/95/04/55/553950455.db2.gz ZOUKDWXFTLEJEM-OLILMLBXSA-N 0 0 568.695 7.198 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccs2)cc1 ZINC000033357739 553950632 /nfs/dbraw/zinc/95/06/32/553950632.db2.gz FIHHWRFCBVPIIH-SONOPUAISA-N 0 0 530.646 5.774 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970211 553950845 /nfs/dbraw/zinc/95/08/45/553950845.db2.gz WIYCYUVWPIOKAT-QLXKLKPCSA-N 0 0 606.697 5.922 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970327 553952373 /nfs/dbraw/zinc/95/23/73/553952373.db2.gz LTAASBYYFKPCPE-QTEAWJPNSA-N 0 0 624.715 6.738 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970328 553952419 /nfs/dbraw/zinc/95/24/19/553952419.db2.gz HBUNGEMVEMRKAO-YHAMSUFESA-N 0 0 572.639 5.737 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970321 553952426 /nfs/dbraw/zinc/95/24/26/553952426.db2.gz RSYQNEDZBUBQHZ-DFXYEROKSA-N 0 0 582.722 7.588 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970325 553952587 /nfs/dbraw/zinc/95/25/87/553952587.db2.gz LTAASBYYFKPCPE-ADSBAMQRSA-N 0 0 624.715 6.738 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097970395 553953246 /nfs/dbraw/zinc/95/32/46/553953246.db2.gz MWFWBZZTTIYVNL-LJAQVGFWSA-N 0 0 598.677 6.431 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1 ZINC000033358250 553953896 /nfs/dbraw/zinc/95/38/96/553953896.db2.gz JGKRXGLYGYOROR-RZFQCGOMSA-N 0 0 634.172 8.075 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970467 553954508 /nfs/dbraw/zinc/95/45/08/553954508.db2.gz NKQAKJWBUKCAST-HPGBDJQBSA-N 0 0 603.096 7.020 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970458 553954700 /nfs/dbraw/zinc/95/47/00/553954700.db2.gz PCEVXAMAPWSBRQ-HMILPKGGSA-N 0 0 610.688 6.314 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(C(F)(F)F)c2)S1 ZINC000033358344 553954785 /nfs/dbraw/zinc/95/47/85/553954785.db2.gz TXMWSZQUSJEHHI-BQPAJTCCSA-N 0 0 561.969 6.248 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970501 553954898 /nfs/dbraw/zinc/95/48/98/553954898.db2.gz GLMUQGRYQABKGF-NSYGIPOTSA-N 0 0 576.671 5.769 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970514 553954949 /nfs/dbraw/zinc/95/49/49/553954949.db2.gz RRCHHMLAVJLNHH-UULLZXFKSA-N 0 0 605.112 7.244 50 30 KKEARN Cc1ccc(CSc2nnc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970544 553955599 /nfs/dbraw/zinc/95/55/99/553955599.db2.gz BATUKNKMXGSKIR-PIIWDFAUSA-N 0 0 597.762 7.369 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970577 553955998 /nfs/dbraw/zinc/95/59/98/553955998.db2.gz QULRYCOPLJCSQP-WWOZWPLTSA-N 0 0 612.704 6.765 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970558 553956043 /nfs/dbraw/zinc/95/60/43/553956043.db2.gz IYRVJJSGINNTQC-PRAQEBQASA-N 0 0 598.721 7.145 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000033358520 553956270 /nfs/dbraw/zinc/95/62/70/553956270.db2.gz KQDMBZDOXVTHER-UHFFFAOYSA-N 0 0 573.642 5.842 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970642 553956802 /nfs/dbraw/zinc/95/68/02/553956802.db2.gz NHIXYHRVZMFILZ-ADXZGYQBSA-N 0 0 584.694 6.980 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970630 553956900 /nfs/dbraw/zinc/95/69/00/553956900.db2.gz DUOMMFJASQHQCP-UKPGIYTDSA-N 0 0 666.752 6.878 50 30 KKEARN CCOc1cc(/C=N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)ccc1OCc1ccccc1Cl ZINC000097970695 553957629 /nfs/dbraw/zinc/95/76/29/553957629.db2.gz SYCWXJNULAAXJA-CQFWSYKGSA-N 0 0 577.508 8.402 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970733 553957808 /nfs/dbraw/zinc/95/78/08/553957808.db2.gz SOYMKGATFRQZAA-DFXYEROKSA-N 0 0 556.659 6.007 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970725 553957917 /nfs/dbraw/zinc/95/79/17/553957917.db2.gz JUJMHJHOPKWVAU-QJWGWKRISA-N 0 0 628.747 7.379 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000097970746 553958301 /nfs/dbraw/zinc/95/83/01/553958301.db2.gz NSVDDOQDFUMKQT-YTTGMZPUSA-N 0 0 581.241 9.466 50 30 KKEARN O=C1c2ccccc2S/C1=C/c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000033394988 553958431 /nfs/dbraw/zinc/95/84/31/553958431.db2.gz COVJNIKCGLIOLM-RGVLZGJSSA-N 0 0 502.227 7.120 50 30 KKEARN COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(I)cc2)c(OC)c1 ZINC000097970964 553959866 /nfs/dbraw/zinc/95/98/66/553959866.db2.gz ZTJNHBCMYAKPGX-MBJOHIAISA-N 0 0 567.379 5.491 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000097970970 553959903 /nfs/dbraw/zinc/95/99/03/553959903.db2.gz MQNQPHDNIARMSG-WJOKGBTCSA-N 0 0 564.638 6.155 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970966 553959913 /nfs/dbraw/zinc/95/99/13/553959913.db2.gz PCLFCOFEJRHOIJ-DEOSSOPVSA-N 0 0 562.600 5.122 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097971012 553960647 /nfs/dbraw/zinc/96/06/47/553960647.db2.gz QSVVUXYLIFCXQN-PVAZPRTOSA-N 0 0 575.661 6.766 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000097971848 553963090 /nfs/dbraw/zinc/96/30/90/553963090.db2.gz CVPGLMXPMJIZIW-OFSOJUDTSA-N 0 0 511.618 7.064 50 30 biogenic KKEARN CCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000097976997 553973607 /nfs/dbraw/zinc/97/36/07/553973607.db2.gz RXRPWNNPSAGYHH-QHCPKHFHSA-N 0 0 530.993 7.860 50 30 KKEARN COc1ccc(-c2ccc(OC(=O)[C@@](F)(C(F)(F)F)C(F)(F)N3C(F)(F)C(F)(F)OC(F)(F)C3(F)F)cc2)cc1 ZINC000097977031 553973640 /nfs/dbraw/zinc/97/36/40/553973640.db2.gz GNPPCYCTGOKFDU-OAHLLOKOSA-N 0 0 607.294 6.834 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](Nc1ccc(I)cc1)C(Cl)(Cl)Cl ZINC000097976988 553973648 /nfs/dbraw/zinc/97/36/48/553973648.db2.gz VTUCJSOONHMIQQ-QFIPXVFZSA-N 0 0 589.817 8.607 50 30 KKEARN CCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000097977061 553974031 /nfs/dbraw/zinc/97/40/31/553974031.db2.gz WMGHZALJFSPQOB-KRWDZBQOSA-N 0 0 521.769 7.233 50 30 KKEARN Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000097978979 553975465 /nfs/dbraw/zinc/97/54/65/553975465.db2.gz XBHGMOBXUJFGDY-UHFFFAOYSA-N 0 0 630.840 6.522 50 30 KKEARN CCCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C#N)C=C(/C=C/c2ccc(OCC)cc2)CC3(C)C)c2ccccc2c1=O ZINC000097979069 553976081 /nfs/dbraw/zinc/97/60/81/553976081.db2.gz QMFIAXAFFFKZNT-VAWYXSNFSA-N 0 0 622.747 6.712 50 30 KKEARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl ZINC000097979090 553976317 /nfs/dbraw/zinc/97/63/17/553976317.db2.gz SPFDAFXRFZFYOG-UDWIEESQSA-N 0 0 569.133 6.338 50 30 KKEARN CCOC(=O)c1sc(N)c(C#N)c1CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000097979153 553976888 /nfs/dbraw/zinc/97/68/88/553976888.db2.gz KOZRSNAEGBXKRA-ZDLGFXPLSA-N 0 0 544.561 5.250 50 30 KKEARN Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c(C)c1 ZINC000097979343 553978414 /nfs/dbraw/zinc/97/84/14/553978414.db2.gz HXLCEEPGFXERAA-UHFFFAOYSA-N 0 0 652.846 6.610 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000033937908 553979633 /nfs/dbraw/zinc/97/96/33/553979633.db2.gz XXPVSTVFAJDNET-YQEDBCDYSA-N 0 0 523.683 7.067 50 30 KKEARN CCOc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)CSc4nnc(-c5cccc(C)c5)n4[C@@H]4CCCC[C@@H]4C)sc3C(C)(C)C2)cc1 ZINC000097980069 553984874 /nfs/dbraw/zinc/98/48/74/553984874.db2.gz FKLZEVBUKJGGQV-YSLWHTKCSA-N 0 0 677.940 9.846 50 30 KKEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1 ZINC000097981454 553994189 /nfs/dbraw/zinc/99/41/89/553994189.db2.gz MKSXGDOUWDZPHB-QGOAFFKASA-N 0 0 525.655 6.606 50 30 KKEARN CC(=O)N(c1nc(/C=C/c2cc(-c3cccc(C)c3)n3c4ccccc4nc3c2C#N)cs1)c1ccccc1 ZINC000097981639 553995998 /nfs/dbraw/zinc/99/59/98/553995998.db2.gz SBBMGABGLANEJO-FOCLMDBBSA-N 0 0 525.637 7.646 50 30 KKEARN C=C(C)C(=O)Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(OC(=O)C(=C)C)cc4)c(F)c3F)c(F)c2F)cc1 ZINC000097983012 554006978 /nfs/dbraw/zinc/00/69/78/554006978.db2.gz OQGAOIHXNBYNRM-UHFFFAOYSA-N 0 0 650.474 9.014 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000097983033 554007201 /nfs/dbraw/zinc/00/72/01/554007201.db2.gz ALWCCAYSLGXJSI-RUZDIDTESA-N 0 0 599.540 9.700 50 30 KKEARN O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000097983221 554007932 /nfs/dbraw/zinc/00/79/32/554007932.db2.gz XLONQSPGLLMEIZ-RQZHXJHFSA-N 0 0 560.425 7.558 50 30 KKEARN C=CCN(CC(=O)N1CCCC[C@H]1c1nc(-c2cccc(Cl)c2)no1)C(=O)C[C@@H](C)CC(C)(C)C ZINC000034792569 554008113 /nfs/dbraw/zinc/00/81/13/554008113.db2.gz VOMWQQNBRCURKR-KNQAVFIVSA-N 0 0 501.071 5.921 50 30 KKEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\CC(C)C/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)o3)C2=O)o1 ZINC000097983579 554010289 /nfs/dbraw/zinc/01/02/89/554010289.db2.gz KBPKKCNVUIGMIO-LKZLBIQXSA-N 0 0 580.688 8.661 50 30 KKEARN COc1ccc2c(c1)C(N1CCN(C(=O)c3cccc(C#N)c3)[C@H](C)C1)=Nc1cc(C(F)(F)F)ccc1O2 ZINC000034813309 554011104 /nfs/dbraw/zinc/01/11/04/554011104.db2.gz ASWWPEGCLKBRAH-QGZVFWFLSA-N 0 0 520.511 5.616 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCCCCCCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2C1 ZINC000097983751 554011738 /nfs/dbraw/zinc/01/17/38/554011738.db2.gz KFHRLXXFVIQLLV-BGYRXZFFSA-N 0 0 550.794 7.501 50 30 KKEARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097983917 554012754 /nfs/dbraw/zinc/01/27/54/554012754.db2.gz LFIJZTDUFWGPOU-QGZVFWFLSA-N 0 0 556.790 5.274 50 30 KKEARN N#CCCN(CCN(CCC#N)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000097984142 554014277 /nfs/dbraw/zinc/01/42/77/554014277.db2.gz TUZUHZYVIRGEAK-JEVCVBCSSA-N 0 0 710.728 8.155 50 30 KKEARN C=CCn1c(CC(=O)Nc2cccc(Cl)c2Cl)nnc1S[C@@H](CC)C(=O)Nc1cccc(C(C)=O)c1 ZINC000097994885 554032616 /nfs/dbraw/zinc/03/26/16/554032616.db2.gz JBLKDHAXZZACKE-FQEVSTJZSA-N 0 0 546.480 5.664 50 30 KKEARN O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1c2ccccc2cc2ccccc21 ZINC000097996974 554038953 /nfs/dbraw/zinc/03/89/53/554038953.db2.gz XHTIGFPTVVNHMA-ZYRVCXHZSA-N 0 0 528.655 9.245 50 30 KKEARN CCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000097997044 554039516 /nfs/dbraw/zinc/03/95/16/554039516.db2.gz PZWXCFHOAOXJML-QNEJGDQOSA-N 0 0 520.739 7.554 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000097997060 554039575 /nfs/dbraw/zinc/03/95/75/554039575.db2.gz WXSHPDNBOGVQMM-UUWRZZSWSA-N 0 0 593.849 9.000 50 30 biogenic KKEARN Cc1c(/N=C2\S/C(=C\c3ccccc3Cl)C(=O)N2/N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000097997104 554039893 /nfs/dbraw/zinc/03/98/93/554039893.db2.gz MNJCXFLOOKDVGQ-FZEVOXSCSA-N 0 0 562.482 6.429 50 30 KKEARN CCCCCCCOc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OCCCCCCC)cc3)c2)cc1 ZINC000097997855 554040758 /nfs/dbraw/zinc/04/07/58/554040758.db2.gz ORMFIORCBZTTNW-UHFFFAOYSA-N 0 0 546.704 8.823 50 30 biogenic KKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)OCC(=O)c3ccc(C4CCC(CCC)CC4)cc3)cc2)cc1 ZINC000097997880 554041040 /nfs/dbraw/zinc/04/10/40/554041040.db2.gz VYWIYDOIVSXANO-UHFFFAOYSA-N 0 0 582.781 9.532 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000097997864 554041049 /nfs/dbraw/zinc/04/10/49/554041049.db2.gz UKSHIOFZRHKWLZ-UHFFFAOYSA-N 0 0 516.550 6.705 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(OCCCCCC)cc2)cc1 ZINC000097999605 554044313 /nfs/dbraw/zinc/04/43/13/554044313.db2.gz WWSOKLWGOACFKZ-IGYGKHONSA-N 0 0 561.520 8.215 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999809 554046177 /nfs/dbraw/zinc/04/61/77/554046177.db2.gz PJFQQNJBNZRYTK-WZPDBAAASA-N 0 0 623.149 8.247 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999835 554046184 /nfs/dbraw/zinc/04/61/84/554046184.db2.gz FQAVNYLSQUPLDZ-VWLRAHFJSA-N 0 0 607.150 8.547 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1OCc1ccc(Cl)cc1 ZINC000098000011 554047881 /nfs/dbraw/zinc/04/78/81/554047881.db2.gz PHIHAWPJGVEINL-CYFIQEHSSA-N 0 0 565.113 8.606 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000098000141 554048740 /nfs/dbraw/zinc/04/87/40/554048740.db2.gz HWUJXFOBLLRVEK-UHFFFAOYSA-N 0 0 559.755 7.077 50 30 KKEARN N#Cc1ccc(-c2nc(-c3cccc(I)c3)c(-c3cccc(I)c3)[nH]2)cc1 ZINC000098000119 554048779 /nfs/dbraw/zinc/04/87/79/554048779.db2.gz VYUNRQJVWCBHAL-UHFFFAOYSA-N 0 0 573.175 6.492 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)c(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000098000195 554049294 /nfs/dbraw/zinc/04/92/94/554049294.db2.gz FTJCXRGRUGDRIP-NRUKRWIHSA-N 0 0 553.489 8.516 50 30 KKEARN Cc1c(C2=CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2ccccc2n1Cc1c(F)cccc1Cl ZINC000035421486 554050131 /nfs/dbraw/zinc/05/01/31/554050131.db2.gz HJZGXOKCHGPRKZ-UHFFFAOYSA-N 0 0 520.029 6.140 50 30 KKEARN COc1c(I)cc(I)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000098000400 554050878 /nfs/dbraw/zinc/05/08/78/554050878.db2.gz VSQZLBDWKYZTPR-DEOSSOPVSA-N 0 0 635.283 7.367 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SC/C=C/CSc3nc(-c4ccccc4)cc(-c4ccc(OC)cc4)c3C#N)c2C#N)cc1 ZINC000098000491 554051319 /nfs/dbraw/zinc/05/13/19/554051319.db2.gz DZRWLYLULGCDGX-MDZDMXLPSA-N 0 0 688.878 10.346 50 30 KKEARN CCCCCCCCCCCCCCCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000098001147 554051556 /nfs/dbraw/zinc/05/15/56/554051556.db2.gz SRHLZZNVBARSFG-UHFFFAOYSA-N 0 0 512.807 10.861 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000098001161 554051570 /nfs/dbraw/zinc/05/15/70/554051570.db2.gz CLAWHXZJZPRVEV-UHFFFAOYSA-N 0 0 527.709 7.760 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1cc(NC(=O)CCCCCCCCCCC)cc([N+](=O)[O-])c1 ZINC000098001343 554052296 /nfs/dbraw/zinc/05/22/96/554052296.db2.gz KRUUVCFDLXWJQB-UHFFFAOYSA-N 0 0 517.755 9.314 50 30 biogenic KKEARN CCCCCCCCCCCCCCCCCCSCCNS(=O)(=O)CCCCCCCCC ZINC000098001434 554052555 /nfs/dbraw/zinc/05/25/55/554052555.db2.gz WGZCIFHCQMSHGI-UHFFFAOYSA-N 0 0 519.946 9.651 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001580 554052821 /nfs/dbraw/zinc/05/28/21/554052821.db2.gz VJAAVIWBHSOQRC-FQEVSTJZSA-N 0 0 602.485 7.921 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000098002573 554053363 /nfs/dbraw/zinc/05/33/63/554053363.db2.gz FPJLPOGAWDWZIH-KRWDZBQOSA-N 0 0 502.333 5.388 50 30 biogenic KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(SCC(=O)NCCc5ccccc5)cc4)sc3c2)cc1 ZINC000098002596 554053706 /nfs/dbraw/zinc/05/37/06/554053706.db2.gz JRVJLJDNUQBNQQ-UHFFFAOYSA-N 0 0 726.046 10.811 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2)cc1 ZINC000098003602 554055406 /nfs/dbraw/zinc/05/54/06/554055406.db2.gz DJHLSSKVULWYMZ-WPVYDPPMSA-N 0 0 704.914 12.279 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000098003661 554055658 /nfs/dbraw/zinc/05/56/58/554055658.db2.gz GJXYXYIKCCJUQX-ZWVRTZEQSA-N 0 0 681.538 9.434 50 30 KKEARN CCCCCC(=O)Oc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)c1 ZINC000098003662 554055713 /nfs/dbraw/zinc/05/57/13/554055713.db2.gz ZHVBDCYYEBXFPA-AYAMJOBCSA-N 0 0 613.198 9.307 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003646 554055718 /nfs/dbraw/zinc/05/57/18/554055718.db2.gz JHUWBRMIAWMIAU-NBLPZQPVSA-N 0 0 613.085 7.719 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003648 554055754 /nfs/dbraw/zinc/05/57/54/554055754.db2.gz JHUWBRMIAWMIAU-KATKFWMUSA-N 0 0 613.085 7.719 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(=O)C3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003668 554055833 /nfs/dbraw/zinc/05/58/33/554055833.db2.gz BGHHKUPZFVNSFJ-BWXVZPLGSA-N 0 0 634.748 8.363 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cccc(Br)c3)C2)cc1 ZINC000098003709 554056277 /nfs/dbraw/zinc/05/62/77/554056277.db2.gz LHJPIRDZRCYIRV-AFMDSPMNSA-N 0 0 555.394 7.220 50 30 KKEARN C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN[C@@H](Cc1ccccc1)C(=O)OC ZINC000035494236 554056806 /nfs/dbraw/zinc/05/68/06/554056806.db2.gz VBZABTLPKKERQO-OYEZJALUSA-N 0 0 521.698 6.038 50 30 biogenic KKEARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098005788 554058592 /nfs/dbraw/zinc/05/85/92/554058592.db2.gz AZVRYOZDVOSVAH-UHFFFAOYSA-N 0 0 561.448 7.322 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1cccc(Cl)c1)CCCC2 ZINC000098006222 554060830 /nfs/dbraw/zinc/06/08/30/554060830.db2.gz KEGVQTAWBZZYST-XMMPIXPASA-N 0 0 553.124 6.700 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)cc4)C3)[C@H]1c1ccccc1)CCCC2 ZINC000098006175 554060852 /nfs/dbraw/zinc/06/08/52/554060852.db2.gz LFLVAYACCIXUOT-MNNSJKJDSA-N 0 0 582.722 6.422 50 30 KKEARN CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[C@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)c2O1 ZINC000035622967 554061711 /nfs/dbraw/zinc/06/17/11/554061711.db2.gz FYDZTERBTVQDEM-MUUNZHRXSA-N 0 0 525.605 7.323 50 30 KKEARN CCOc1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1-n1nc2ccccc2n1 ZINC000098007333 554063455 /nfs/dbraw/zinc/06/34/55/554063455.db2.gz YZLROEBYDVFJAY-UHFFFAOYSA-N 0 0 531.563 7.064 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000098008134 554066242 /nfs/dbraw/zinc/06/62/42/554066242.db2.gz VEPZMNCWWJAIOU-CZBREUMFSA-N 0 0 579.646 5.624 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000035839817 554080360 /nfs/dbraw/zinc/08/03/60/554080360.db2.gz HFIQWQANEHIAQI-KDLAUNOPSA-N 0 0 517.569 5.851 50 30 KKEARN COc1ccc(-c2cc(/C(C)=N\OCc3cccc(C(F)(F)F)c3)c(C)n2-c2cccc(OC)c2)cc1 ZINC000035843394 554081937 /nfs/dbraw/zinc/08/19/37/554081937.db2.gz LWIOSIMMMWDVNC-APTWKGOFSA-N 0 0 508.540 7.430 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000035913049 554097048 /nfs/dbraw/zinc/09/70/48/554097048.db2.gz ZWACNLIJRQNJHX-KDLAUNOPSA-N 0 0 512.400 5.126 50 30 KKEARN CCCCCCCC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C ZINC000098016763 554103499 /nfs/dbraw/zinc/10/34/99/554103499.db2.gz UNEFJXPCPIRTMY-UHFFFAOYSA-N 0 0 516.730 6.849 50 30 KKEARN CCCCCCCCC(=O)N(CCC(=O)Nc1nnc(-c2cccc(OC)c2)s1)C1CCCCC1 ZINC000098016846 554104258 /nfs/dbraw/zinc/10/42/58/554104258.db2.gz VBKPVCADWGDJBV-UHFFFAOYSA-N 0 0 500.709 6.454 50 30 KKEARN N#Cc1c(N)nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000035955971 554107778 /nfs/dbraw/zinc/10/77/78/554107778.db2.gz OOSMXCKYNQVWIR-UHFFFAOYSA-N 0 0 555.457 6.391 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000035973782 554114847 /nfs/dbraw/zinc/11/48/47/554114847.db2.gz KYNXMUCTYHCXFX-PJIRNLIGSA-N 0 0 510.030 6.148 50 30 biogenic,in-vitro KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000035973778 554114880 /nfs/dbraw/zinc/11/48/80/554114880.db2.gz WTRIZCBHQDHDGU-HFUYDOEQSA-N 0 0 505.611 5.503 50 30 KKEARN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1C#N ZINC000098020067 554116509 /nfs/dbraw/zinc/11/65/09/554116509.db2.gz BCRMVQBTRPZHGC-UHFFFAOYSA-N 0 0 533.503 6.828 50 30 KKEARN O=C(CSc1nnc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098023071 554120237 /nfs/dbraw/zinc/12/02/37/554120237.db2.gz HBTCMISNPOVUHU-UHFFFAOYSA-N 0 0 688.541 8.075 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)sc2C1 ZINC000098023208 554120476 /nfs/dbraw/zinc/12/04/76/554120476.db2.gz CURNOZUWCYNFOE-YIFZBPKDSA-N 0 0 562.061 7.533 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CN1CCC(C(N)=O)CC1)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000098042787 554122400 /nfs/dbraw/zinc/12/24/00/554122400.db2.gz TZONEEZXUXMFGP-MHZLTWQESA-N 0 0 555.506 5.334 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)c(Cl)c4)[C@H]3c3cccs3)C2)cc1 ZINC000098042802 554122404 /nfs/dbraw/zinc/12/24/04/554122404.db2.gz XOIXFHGRDIXCQX-KEEVHDRGSA-N 0 0 575.517 8.278 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2CC(=O)NC2CCCCC2)cc1 ZINC000098042813 554122590 /nfs/dbraw/zinc/12/25/90/554122590.db2.gz BFBSUMKWSYRBDG-XKWLHOGNSA-N 0 0 566.746 6.949 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(CC)s1 ZINC000098042899 554122976 /nfs/dbraw/zinc/12/29/76/554122976.db2.gz RYECWOXYDXDERJ-RUZDIDTESA-N 0 0 530.484 6.183 50 30 KKEARN CC(C)C[C@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)N1C(=O)c2ccccc2C1=O ZINC000098043287 554126488 /nfs/dbraw/zinc/12/64/88/554126488.db2.gz WQJVVEFQXVQWPL-SSEXGKCCSA-N 0 0 582.660 6.984 50 30 KKEARN C[C@H]1CCc2c(C#N)c(N(C(=O)c3cc(Br)ccc3Cl)C(=O)c3cc(Br)ccc3Cl)sc2C1 ZINC000098043553 554128271 /nfs/dbraw/zinc/12/82/71/554128271.db2.gz FAHPWSPHCBKFNV-LBPRGKRZSA-N 0 0 627.185 8.064 50 30 KKEARN CCCCCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000098044759 554129491 /nfs/dbraw/zinc/12/94/91/554129491.db2.gz IGKJTKAMDYCALD-UHFFFAOYSA-N 0 0 527.547 9.636 50 30 KKEARN CC(=O)N1c2ccc(Cl)cc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000098044777 554129779 /nfs/dbraw/zinc/12/97/79/554129779.db2.gz JIRCDYQYBAAUKL-JRPXNJEYSA-N 0 0 533.499 8.211 50 30 KKEARN CCCCCCCCCCCCOc1ccc(C#Cc2ccc(OCCCCCCCCCCCO)cc2)cc1 ZINC000098044811 554129804 /nfs/dbraw/zinc/12/98/04/554129804.db2.gz WEBBUSULHZWMPR-UHFFFAOYSA-N 0 0 548.852 10.268 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)c2ccc(Cl)cc2)c1 ZINC000098045113 554130616 /nfs/dbraw/zinc/13/06/16/554130616.db2.gz WLXUQGHDYHDFMU-HEIROHQZSA-N 0 0 569.488 8.216 50 30 KKEARN CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCCCCC)cc3)cn2)cc1F ZINC000098045107 554130662 /nfs/dbraw/zinc/13/06/62/554130662.db2.gz ZMKXSVUDHLAZQG-UHFFFAOYSA-N 0 0 517.773 10.977 50 30 KKEARN C=CCOc1c(I)cc([C@H]2NC(=O)N=C3c4ccccc4CCC32)cc1I ZINC000098045184 554131215 /nfs/dbraw/zinc/13/12/15/554131215.db2.gz DJQLTTZNGFSUJM-GOSISDBHSA-N 0 0 584.195 5.172 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000098045522 554132211 /nfs/dbraw/zinc/13/22/11/554132211.db2.gz CPFRJNPYFNWWPH-UVDDSOTQSA-N 0 0 550.596 8.325 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000098045760 554133813 /nfs/dbraw/zinc/13/38/13/554133813.db2.gz SRZCALKBJAUAFX-YTTGMZPUSA-N 0 0 563.650 6.981 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098046670 554142461 /nfs/dbraw/zinc/14/24/61/554142461.db2.gz NRZQRSVEKZQKDM-MHZLTWQESA-N 0 0 582.678 6.607 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1)C(=O)Cc1ccccc1 ZINC000036030642 554143611 /nfs/dbraw/zinc/14/36/11/554143611.db2.gz DXRQTYBDUYMXFX-UHFFFAOYSA-N 0 0 505.684 5.428 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000098047064 554146347 /nfs/dbraw/zinc/14/63/47/554146347.db2.gz IQDINGFVPOHWEC-UHFFFAOYSA-N 0 0 555.631 5.250 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037512 554146481 /nfs/dbraw/zinc/14/64/81/554146481.db2.gz MQGFMTULSJHMJI-YSZBQJHXSA-N 0 0 511.615 5.381 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000036037415 554146516 /nfs/dbraw/zinc/14/65/16/554146516.db2.gz CSRXMRIKQNNVHE-ZQMYSKGWSA-N 0 0 511.615 5.381 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047103 554146642 /nfs/dbraw/zinc/14/66/42/554146642.db2.gz XHKWMZYXYZBFIT-DEOSSOPVSA-N 0 0 562.644 5.683 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1)C(=O)c1ccccc1C ZINC000036040031 554148112 /nfs/dbraw/zinc/14/81/12/554148112.db2.gz MAELAUSZAIFZFI-UHFFFAOYSA-N 0 0 517.626 5.181 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047247 554148378 /nfs/dbraw/zinc/14/83/78/554148378.db2.gz ARVLTWLEXPPMFW-GDLZYMKVSA-N 0 0 536.584 5.456 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1SCc1ccc(Cl)cc1Cl ZINC000098047293 554148800 /nfs/dbraw/zinc/14/88/00/554148800.db2.gz USJFQOJKWKVUBK-UHFFFAOYSA-N 0 0 518.185 8.001 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000098047686 554154517 /nfs/dbraw/zinc/15/45/17/554154517.db2.gz IWDVMCHFAOYJCV-QFIPXVFZSA-N 0 0 536.850 5.895 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048036 554158780 /nfs/dbraw/zinc/15/87/80/554158780.db2.gz CJKLLEYDMYMOTL-YRVHBCJASA-N 0 0 602.684 7.119 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048055 554159292 /nfs/dbraw/zinc/15/92/92/554159292.db2.gz RRNKGJXSCWJHCO-QWXGXRTQSA-N 0 0 560.603 5.949 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](c3ccc(Cl)cc3)N3CCCCC3)[C@@H]2c2ccccc2F)cc1 ZINC000098048188 554160457 /nfs/dbraw/zinc/16/04/57/554160457.db2.gz PTJHTVUEJJBJII-XTEPFMGCSA-N 0 0 533.043 6.593 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)c1nc(N)c(C#N)c(N)c1[C@@H]2c1cccc(Br)c1 ZINC000098048358 554161616 /nfs/dbraw/zinc/16/16/16/554161616.db2.gz NBOVQRYJFSMMOR-HSZRJFAPSA-N 0 0 599.558 6.619 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000098049100 554163271 /nfs/dbraw/zinc/16/32/71/554163271.db2.gz ABHIDSGQJMLXND-PIKZIKFNSA-N 0 0 548.630 7.428 50 30 KKEARN CCCCCCCc1ccc(-c2cc(C(=O)O[C@@H](CC)C(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000098050383 554174398 /nfs/dbraw/zinc/17/43/98/554174398.db2.gz XTUBFVFAKHDCEE-YTTGMZPUSA-N 0 0 507.674 8.541 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050472 554174950 /nfs/dbraw/zinc/17/49/50/554174950.db2.gz KZBSIQYRHUYJBS-USXNEUTHSA-N 0 0 642.634 8.668 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000098050605 554175522 /nfs/dbraw/zinc/17/55/22/554175522.db2.gz VSHCMWFKVGZKHC-VWLOTQADSA-N 0 0 540.454 5.684 50 30 biogenic,in-vitro KKEARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3nc(CC(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)CC1 ZINC000098176441 554176899 /nfs/dbraw/zinc/17/68/99/554176899.db2.gz PZXYVGVUSHXSDK-JLPGSUDCSA-N 0 0 535.431 5.395 50 30 KKEARN CCCCCCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCCCCCC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 ZINC000100013559 554181035 /nfs/dbraw/zinc/18/10/35/554181035.db2.gz YFGMQDNQVFJKTR-UHFFFAOYSA-N 0 0 614.786 8.684 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccc(F)c1 ZINC000036116380 554181498 /nfs/dbraw/zinc/18/14/98/554181498.db2.gz BMPNFSDYTMFEFA-XMMPIXPASA-N 0 0 513.034 5.682 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccccc1F ZINC000036116379 554181546 /nfs/dbraw/zinc/18/15/46/554181546.db2.gz VHXMPGYUUMIUAP-DEOSSOPVSA-N 0 0 513.034 5.682 50 30 KKEARN CCc1ccc(C(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)cc1 ZINC000100025416 554183283 /nfs/dbraw/zinc/18/32/83/554183283.db2.gz LFLOAWZBTXHEQU-UHFFFAOYSA-N 0 0 575.321 7.560 50 30 KKEARN O=c1c2c(nc(N/N=C/c3ccc(Br)cc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000100024626 554183311 /nfs/dbraw/zinc/18/33/11/554183311.db2.gz NRSUSMDXPOVOOD-ZCTHSVRISA-N 0 0 525.450 6.476 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000100025533 554183687 /nfs/dbraw/zinc/18/36/87/554183687.db2.gz HSGJOSXGTLTQMF-UHFFFAOYSA-N 0 0 503.617 6.196 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1cccc(OC)c1 ZINC000036117138 554184238 /nfs/dbraw/zinc/18/42/38/554184238.db2.gz UDGOENYNWYSCJP-MHZLTWQESA-N 0 0 518.679 5.713 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2)cc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000100036628 554190916 /nfs/dbraw/zinc/19/09/16/554190916.db2.gz DKIDUKLFNGFXPS-LPHFKDDMSA-N 0 0 535.419 6.194 50 30 KKEARN Oc1ccc(Cc2ccc(O)c(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)c2)cc1/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000100041964 554192627 /nfs/dbraw/zinc/19/26/27/554192627.db2.gz SQCDNIHNYVNRHW-DAGCGWHASA-N 0 0 607.493 10.017 50 30 KKEARN CCCCCCCCn1c(C)c(C2(c3c(C)n(CCCCCCCC)c4ccccc43)OC(=O)c3ccccc32)c2ccccc21 ZINC000100045379 554193183 /nfs/dbraw/zinc/19/31/83/554193183.db2.gz XOEUNIAGBKGZLU-UHFFFAOYSA-N 0 0 616.890 11.396 50 30 KKEARN CCCCCCCCCCOc1ccc(NC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000100045881 554193536 /nfs/dbraw/zinc/19/35/36/554193536.db2.gz OOXDIETVNBOAHE-UHFFFAOYSA-N 0 0 534.744 9.320 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000100052649 554194823 /nfs/dbraw/zinc/19/48/23/554194823.db2.gz OYAWYPSJENPRNG-ADXZGYQBSA-N 0 0 544.438 8.193 50 30 KKEARN COc1ccc(NC(=O)N2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100052657 554194883 /nfs/dbraw/zinc/19/48/83/554194883.db2.gz BKVJIUUTHQKBGC-KEEVHDRGSA-N 0 0 540.019 7.548 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036124152 554195872 /nfs/dbraw/zinc/19/58/72/554195872.db2.gz ZXWZNDKCZSWSSR-VWLOTQADSA-N 0 0 524.708 5.055 50 30 KKEARN Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C\c4ccc(-c5ccc(Br)cc5)o4)cc3s2)c(C)c1 ZINC000100056708 554196534 /nfs/dbraw/zinc/19/65/34/554196534.db2.gz CNDNMMSCJONTDK-GYJUCFALSA-N 0 0 604.595 9.114 50 30 KKEARN O=C(CSc1nc2ccc(/N=C\c3ccc(Cl)cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100057027 554196769 /nfs/dbraw/zinc/19/67/69/554196769.db2.gz GXZMROYQTIMZLN-MNDYBZJGSA-N 0 0 528.058 8.331 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(I)cc3)cc2s1)NC1CCCCC1 ZINC000100063105 554199269 /nfs/dbraw/zinc/19/92/69/554199269.db2.gz JXCNCVZNXJNNRC-ZMOGYAJESA-N 0 0 535.476 6.193 50 30 KKEARN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)C1(C=Nc3cccc(Cl)c3Cl)c3ccccc3C2c2ccccc21 ZINC000100066926 554200119 /nfs/dbraw/zinc/20/01/19/554200119.db2.gz PGLWGQQLNAGQAS-QSHAVFIESA-N 0 0 557.864 7.600 50 30 KKEARN C=CCN1C(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)S/C1=N/c1ccccc1 ZINC000100072975 554202378 /nfs/dbraw/zinc/20/23/78/554202378.db2.gz PNFYJOFLWHYESR-SXQFYSGESA-N 0 0 582.463 6.669 50 30 KKEARN COc1ccc(CCN=C(Nc2ccc(F)cc2)S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100076499 554204549 /nfs/dbraw/zinc/20/45/49/554204549.db2.gz GMPBMVQBGOGQNB-XMMPIXPASA-N 0 0 542.032 5.381 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000100077286 554205186 /nfs/dbraw/zinc/20/51/86/554205186.db2.gz SKBANHKKGIJHRC-WGDIFIGCSA-N 0 0 528.432 6.427 50 30 KKEARN Cc1cc(-c2ccc(/N=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)c(C)c2)ccc1/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000100078997 554205704 /nfs/dbraw/zinc/20/57/04/554205704.db2.gz SWDCTJCPHHPMFD-ZXHXELASSA-N 0 0 564.646 7.420 50 30 KKEARN CCN=C(Nc1ccc(OC(F)(F)Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100092286 554212564 /nfs/dbraw/zinc/21/25/64/554212564.db2.gz KNNQBDQWPUNFQK-MRXNPFEDSA-N 0 0 579.794 5.312 50 30 KKEARN C=CCOC[C@@H](O)CN(Cc1ccco1)Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000036303420 554213404 /nfs/dbraw/zinc/21/34/04/554213404.db2.gz FVZVICCKVSOIQU-DEOSSOPVSA-N 0 0 505.590 5.525 50 30 KKEARN Cc1c(C(=NNc2ccc(C)cc2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000100103187 554220218 /nfs/dbraw/zinc/22/02/18/554220218.db2.gz PFGVVDQESIEZGD-QYVLQNAGSA-N 0 0 579.566 7.562 50 30 KKEARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N\c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000100107127 554220829 /nfs/dbraw/zinc/22/08/29/554220829.db2.gz NZMBSCKEHUFBMT-YALIQIHYSA-N 0 0 598.886 7.364 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C=Cc2ccccc2)c1 ZINC000100110464 554221075 /nfs/dbraw/zinc/22/10/75/554221075.db2.gz SGXRQIYAMQBRLL-XOUNRKBPSA-N 0 0 561.081 7.963 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000100110074 554221140 /nfs/dbraw/zinc/22/11/40/554221140.db2.gz GMYVIMNYUQORLQ-QNMWZGEKSA-N 0 0 601.659 7.226 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000100110642 554221477 /nfs/dbraw/zinc/22/14/77/554221477.db2.gz LANGQKRGGFYSCR-WRQBUUCKSA-N 0 0 580.440 6.677 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2cc(Cl)c([O-])c(Cl)c2)S1 ZINC000100116879 554223788 /nfs/dbraw/zinc/22/37/88/554223788.db2.gz GXNQBBWWTXFOFP-RAXQPMNESA-N 0 0 614.885 7.070 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)[C@H]3c2ccccc2)cc1 ZINC000036522628 554224980 /nfs/dbraw/zinc/22/49/80/554224980.db2.gz MJHZOVCVBPPUHF-OXYPMYLPSA-N 0 0 505.614 7.033 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1Br ZINC000100134662 554226311 /nfs/dbraw/zinc/22/63/11/554226311.db2.gz RGULMUQYYYLYQO-URCRQUEMSA-N 0 0 582.491 5.550 50 30 KKEARN Cc1ccc(C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100134975 554226385 /nfs/dbraw/zinc/22/63/85/554226385.db2.gz UWUIPFSRHWGWLS-GXVXDJONSA-N 0 0 547.611 7.112 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142309 554228306 /nfs/dbraw/zinc/22/83/06/554228306.db2.gz GEPOTAJIXHCLET-LVGDFUMNSA-N 0 0 551.640 5.445 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100151364 554231614 /nfs/dbraw/zinc/23/16/14/554231614.db2.gz ICLYCBXNLMBGJM-KSNOWIBYSA-N 0 0 561.009 5.226 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100158238 554233500 /nfs/dbraw/zinc/23/35/00/554233500.db2.gz YNDRVXLKMGWFCX-DMTNHVFBSA-N 0 0 573.045 5.096 50 30 KKEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160344 554234620 /nfs/dbraw/zinc/23/46/20/554234620.db2.gz HCBCYLJNWCSAPY-AYRHNUGRSA-N 0 0 591.035 5.235 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000100160504 554234657 /nfs/dbraw/zinc/23/46/57/554234657.db2.gz SFZAADYGRHRXBF-ZSQFBXSQSA-N 0 0 624.587 5.600 50 30 KKEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(C(c2ccccc2)c2ccccc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000100161384 554234930 /nfs/dbraw/zinc/23/49/30/554234930.db2.gz CYSJGGVBZSTLOC-HOOQFZJHSA-N 0 0 544.051 7.229 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100160686 554234966 /nfs/dbraw/zinc/23/49/66/554234966.db2.gz KDQLWFKNMHCOCZ-RZDMPUFOSA-N 0 0 619.089 6.015 50 30 KKEARN CCCCCCCCC/C(=N\N=C(/CCCCCCCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000100166316 554236795 /nfs/dbraw/zinc/23/67/95/554236795.db2.gz IQNANLDEJZQXJK-LBYUQGKWSA-N 0 0 520.802 10.179 50 30 KKEARN CCOc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100167003 554237058 /nfs/dbraw/zinc/23/70/58/554237058.db2.gz GFWSZVHJRUGZEZ-IURWMYGYSA-N 0 0 558.538 6.337 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100171927 554238439 /nfs/dbraw/zinc/23/84/39/554238439.db2.gz IOLVEWWKWXAFOF-IEZKXTBUSA-N 0 0 605.644 5.323 50 30 KKEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100173578 554239597 /nfs/dbraw/zinc/23/95/97/554239597.db2.gz HLLYFCGFGSITMT-POUDIUBESA-N 0 0 597.703 7.868 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000100173311 554239636 /nfs/dbraw/zinc/23/96/36/554239636.db2.gz NOSSBDDYNBAHAN-CKUXNOBLSA-N 0 0 583.493 5.802 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F ZINC000100173921 554239843 /nfs/dbraw/zinc/23/98/43/554239843.db2.gz BLAGDICEMAUITJ-KSNOWIBYSA-N 0 0 578.637 5.554 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccccc1[N+](=O)[O-] ZINC000037398475 554240768 /nfs/dbraw/zinc/24/07/68/554240768.db2.gz HTQCYMGSSFEUMG-UHFFFAOYSA-N 0 0 503.559 5.401 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)C1=O ZINC000100202715 554247235 /nfs/dbraw/zinc/24/72/35/554247235.db2.gz YUYCWBRIVAIYGQ-XYGWBWBKSA-N 0 0 516.981 5.543 50 30 KKEARN C=CCOc1c(I)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000100210118 554248974 /nfs/dbraw/zinc/24/89/74/554248974.db2.gz BHSCCUGTSVOMTR-UHFFFAOYSA-N 0 0 561.460 5.838 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100217172 554250918 /nfs/dbraw/zinc/25/09/18/554250918.db2.gz MGHLAILJOFWWKB-GQSCCLOSSA-N 0 0 629.657 6.102 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217560 554251195 /nfs/dbraw/zinc/25/11/95/554251195.db2.gz XCTLKRGESUWMKZ-UCSRTCPSSA-N 0 0 536.053 5.720 50 30 KKEARN CCOc1c(Br)cc(/C=C2\CCC/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1OC ZINC000100220208 554251766 /nfs/dbraw/zinc/25/17/66/554251766.db2.gz KYLDHNXMQXRJSM-XOBNHNQQSA-N 0 0 580.313 7.246 50 30 KKEARN CCCCCCCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(CCCCCCCCC)cc3)cc2)cc1 ZINC000100225067 554252641 /nfs/dbraw/zinc/25/26/41/554252641.db2.gz VAFLBDQPHZYEIC-UTKMUYHOSA-N 0 0 536.848 11.774 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CCCC2)CC3)n1 ZINC000037602753 554254335 /nfs/dbraw/zinc/25/43/35/554254335.db2.gz BTITVYNFQLZTPI-MUUNZHRXSA-N 0 0 515.679 5.611 50 30 KKEARN C=CCNC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)CC(C)C)CC3)n1 ZINC000037602701 554254358 /nfs/dbraw/zinc/25/43/58/554254358.db2.gz UZXLFUAHXZIJBA-MUUNZHRXSA-N 0 0 503.668 5.467 50 30 KKEARN Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100229711 554255070 /nfs/dbraw/zinc/25/50/70/554255070.db2.gz HBRBGXPEAKPRRO-HSZRJFAPSA-N 0 0 561.409 5.571 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000100232023 554257283 /nfs/dbraw/zinc/25/72/83/554257283.db2.gz QMWKDUIPDOXRAU-VWLOTQADSA-N 0 0 578.434 6.307 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S/C2=N/c2ccccc2)cc1 ZINC000100236743 554258798 /nfs/dbraw/zinc/25/87/98/554258798.db2.gz HVUKRTGDEQTWSP-KBCCKEIDSA-N 0 0 546.004 7.321 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000038143157 554265370 /nfs/dbraw/zinc/26/53/70/554265370.db2.gz GLZQVYDFXUECNY-XMMPIXPASA-O 0 0 509.689 5.439 50 30 in-vitro KKEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OCC)c(OC)c1 ZINC000100267495 554267712 /nfs/dbraw/zinc/26/77/12/554267712.db2.gz YHWLVPGDSFABCH-ZOIWVUKQSA-N 0 0 581.694 6.584 50 30 KKEARN COc1ccc(/N=C2\S/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100276050 554272477 /nfs/dbraw/zinc/27/24/77/554272477.db2.gz NKDLLBKEVWTCDN-VIRMBIJJSA-N 0 0 528.634 5.453 50 30 KKEARN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1c3ccccc3C2c2ccccc21 ZINC000038534885 554274869 /nfs/dbraw/zinc/27/48/69/554274869.db2.gz ZZUOZTOXFXQMQT-ULNLIZJASA-N 0 0 512.487 6.192 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100281198 554276670 /nfs/dbraw/zinc/27/66/70/554276670.db2.gz FRACAHQQYRFMMA-MEXAFARESA-N 0 0 582.078 5.347 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000040486477 554287159 /nfs/dbraw/zinc/28/71/59/554287159.db2.gz SNWYXXNZJKOIQP-UHFFFAOYSA-N 0 0 522.630 6.311 50 30 KKEARN Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c(F)c1F ZINC000100305256 554293304 /nfs/dbraw/zinc/29/33/04/554293304.db2.gz QMSJRYIQYQLOPO-HBRQFSJYSA-N 0 0 540.113 7.476 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308158 554296657 /nfs/dbraw/zinc/29/66/57/554296657.db2.gz QHQKVKIZTLRYRK-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccc(F)cc2)cc1OC ZINC000100308178 554296673 /nfs/dbraw/zinc/29/66/73/554296673.db2.gz CTCRLQVPWNMDAB-CAJWKFQMSA-N 0 0 525.577 5.185 50 30 KKEARN C=C[C@@H](C)C[C@@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](COCc1ccc(OC)cc1)C1SCCCS1 ZINC000043763346 554299498 /nfs/dbraw/zinc/29/94/98/554299498.db2.gz LXMPBKPAHRKEQW-FZTAYZORSA-N 0 0 530.796 7.467 50 30 KKEARN C=C[C@@H](C)C[C@@H](C)[C@@H](OCc1ccc(OC)cc1)[C@H](COCc1ccc(OC)cc1)C1SCCCS1 ZINC000043763345 554299613 /nfs/dbraw/zinc/29/96/13/554299613.db2.gz LXMPBKPAHRKEQW-CKBJTTGDSA-N 0 0 530.796 7.467 50 30 KKEARN COc1cccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)/c(=N/c3sc4c(c3C#N)CCCC4)oc21 ZINC000100316033 554303022 /nfs/dbraw/zinc/30/30/22/554303022.db2.gz GTBZSWFATSGOLN-IVQJCJPDSA-N 0 0 523.536 6.757 50 30 KKEARN COc1cc(C(=O)Oc2c(Cl)cc(Cl)cc2/C=N\c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000100317572 554303301 /nfs/dbraw/zinc/30/33/01/554303301.db2.gz WJBQKDFFVRSQLH-FTCYSYDXSA-N 0 0 528.310 7.008 50 30 KKEARN COc1cc(/C=C2/CCC/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)cc(Br)c1OC ZINC000100320074 554304537 /nfs/dbraw/zinc/30/45/37/554304537.db2.gz XKOGVJHQPCQHCO-JCDHFMOQSA-N 0 0 552.259 6.466 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000044854707 554305613 /nfs/dbraw/zinc/30/56/13/554305613.db2.gz SGPFRJSKQLJFCQ-UHFFFAOYSA-N 0 0 513.623 6.707 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(Br)c(Br)c1O ZINC000100329525 554311480 /nfs/dbraw/zinc/31/14/80/554311480.db2.gz RJXILLOYFLKPHP-LGJNPRDNSA-N 0 0 585.260 6.044 50 30 KKEARN O=C1c2c(cccc2Oc2ccc(Cl)cc2)[C@H](c2ccccc2)/C1=C/c1cccc(Br)c1 ZINC000100333079 554315621 /nfs/dbraw/zinc/31/56/21/554315621.db2.gz VQMNEGHZTXSVJI-FCYPAOMHSA-N 0 0 501.807 8.307 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(O)c(O)c2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000049246921 554323128 /nfs/dbraw/zinc/32/31/28/554323128.db2.gz LFSNDXGOTMTARJ-UHFFFAOYSA-N 0 0 522.626 6.464 50 30 KKEARN COc1ccccc1N1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C#N)cc3)c(OC)c2)SC1=S ZINC000100338957 554323541 /nfs/dbraw/zinc/32/35/41/554323541.db2.gz LZGJSANIOOMKFD-YDZHTSKRSA-N 0 0 567.486 6.323 50 30 KKEARN CN(/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000100342469 554327482 /nfs/dbraw/zinc/32/74/82/554327482.db2.gz ZZVVBMMXJMNQFJ-KLPHOBTLSA-N 0 0 533.298 6.739 50 30 KKEARN Cc1cc(SCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)n2c3ccccc3nc2c1C#N ZINC000051103603 554329158 /nfs/dbraw/zinc/32/91/58/554329158.db2.gz PURBEOWOJSOUNW-MUUNZHRXSA-N 0 0 542.458 7.330 50 30 KKEARN O=C1/C(=C\c2cc3c(cc2Br)OCO3)CCC/C1=C/c1cc2c(cc1Br)OCO2 ZINC000053226106 554329990 /nfs/dbraw/zinc/32/99/90/554329990.db2.gz POGAFYIJYPXIIH-FQCPIAEUSA-N 0 0 520.173 5.889 50 30 KKEARN N#Cc1c(N)nc2c(sc3nc(C(F)(F)F)cc(-c4cccs4)c32)c1-c1ccc(Cl)cc1Cl ZINC000053277360 554330928 /nfs/dbraw/zinc/33/09/28/554330928.db2.gz BVCQDEJDTJFJPN-UHFFFAOYSA-N 0 0 521.376 8.019 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000053291485 554331983 /nfs/dbraw/zinc/33/19/83/554331983.db2.gz BPVJXRQALKVANQ-RUZDIDTESA-N 0 0 526.416 6.106 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053292075 554332290 /nfs/dbraw/zinc/33/22/90/554332290.db2.gz KDRXPXFOQQFQJF-DEOSSOPVSA-N 0 0 529.574 6.003 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305850 554332705 /nfs/dbraw/zinc/33/27/05/554332705.db2.gz PCGRSEQHBBOKLT-HSZRJFAPSA-N 0 0 549.446 6.549 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305919 554333145 /nfs/dbraw/zinc/33/31/45/554333145.db2.gz PTQDCRHOSXONTK-RUZDIDTESA-N 0 0 532.593 6.324 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000053306293 554333459 /nfs/dbraw/zinc/33/34/59/554333459.db2.gz RSGWAGAPLZXVFR-SSEXGKCCSA-N 0 0 590.657 6.738 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306611 554333916 /nfs/dbraw/zinc/33/39/16/554333916.db2.gz DQPMAGANHYLJKQ-XMMPIXPASA-N 0 0 563.473 6.857 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053306312 554334101 /nfs/dbraw/zinc/33/41/01/554334101.db2.gz IHLFPWCEMTYDJB-KWMCUTETSA-N 0 0 570.667 6.427 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307236 554335227 /nfs/dbraw/zinc/33/52/27/554335227.db2.gz IJOZACUXVSQXAT-DEOSSOPVSA-N 0 0 577.456 6.230 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000053319152 554336191 /nfs/dbraw/zinc/33/61/91/554336191.db2.gz QTLVZYOFSGOZDZ-PMERELPUSA-N 0 0 533.584 7.312 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000053319175 554336657 /nfs/dbraw/zinc/33/66/57/554336657.db2.gz LYGJLDLTAADZJH-AREMUKBSSA-N 0 0 528.630 6.610 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000053319267 554336992 /nfs/dbraw/zinc/33/69/92/554336992.db2.gz TUIKGVLMNFIXJR-MUUNZHRXSA-N 0 0 569.455 6.510 50 30 KKEARN CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000053319505 554338360 /nfs/dbraw/zinc/33/83/60/554338360.db2.gz AWDWPLVUWSMPOS-SMSORMJASA-N 0 0 566.595 7.858 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000053332054 554338572 /nfs/dbraw/zinc/33/85/72/554338572.db2.gz QDKWPZAMUKLLLI-UKJJDJLKSA-N 0 0 529.596 7.118 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053334770 554340258 /nfs/dbraw/zinc/34/02/58/554340258.db2.gz BHDWKOZIZODLID-VKGTZQKMSA-N 0 0 552.652 6.584 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000053336201 554341575 /nfs/dbraw/zinc/34/15/75/554341575.db2.gz SKYDUIRPIPWPIR-DCFHFQCYSA-N 0 0 550.533 5.945 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000053337585 554342454 /nfs/dbraw/zinc/34/24/54/554342454.db2.gz IALIJHXKGKASDX-AREMUKBSSA-N 0 0 538.625 6.324 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000053339171 554343244 /nfs/dbraw/zinc/34/32/44/554343244.db2.gz PNJOHYATWKXHHG-HKBQPEDESA-N 0 0 547.607 5.858 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053339010 554343252 /nfs/dbraw/zinc/34/32/52/554343252.db2.gz XGOVKCLNTFDQAJ-NDEPHWFRSA-N 0 0 586.666 6.346 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053340161 554343873 /nfs/dbraw/zinc/34/38/73/554343873.db2.gz OBWWPUGFELGZCX-QMTYFTJSSA-N 0 0 542.613 5.810 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340294 554344269 /nfs/dbraw/zinc/34/42/69/554344269.db2.gz IXSISSNTAQFWNN-XMMPIXPASA-N 0 0 533.005 6.121 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Br)c1O ZINC000053354697 554344696 /nfs/dbraw/zinc/34/46/96/554344696.db2.gz KXVLSZFRRBZWIB-SXBQZSJRSA-N 0 0 525.830 6.796 50 30 KKEARN O=C(Oc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1)c1ccccc1 ZINC000053359665 554345284 /nfs/dbraw/zinc/34/52/84/554345284.db2.gz ZTNFRNGDLBOXOS-WLFXDIPCSA-N 0 0 590.679 8.120 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1OC ZINC000100364811 554350400 /nfs/dbraw/zinc/35/04/00/554350400.db2.gz KXHQTJLPUGZBBX-FBCYGCLPSA-N 0 0 536.787 5.088 50 30 KKEARN Cc1cccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)cc2Br)c1 ZINC000100374686 554358791 /nfs/dbraw/zinc/35/87/91/554358791.db2.gz DBADRITWGXJHLK-UHFFFAOYSA-N 0 0 591.546 6.748 50 30 KKEARN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1)c1c(F)c(F)c(F)c(F)c1F ZINC000100399994 554372579 /nfs/dbraw/zinc/37/25/79/554372579.db2.gz WYYXOTKUPHTKFV-OHSLDDHESA-N 0 0 533.298 7.105 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C(F)(F)[C@]1(F)C(F)(F)F ZINC000100425083 554386315 /nfs/dbraw/zinc/38/63/15/554386315.db2.gz XXIWRQOSNDBYRY-GNSDDBTRSA-N 0 0 500.070 6.353 50 30 KKEARN FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000059270596 554387122 /nfs/dbraw/zinc/38/71/22/554387122.db2.gz VLTXBOGHSBHSAC-UHFFFAOYSA-N 0 0 500.070 6.558 50 30 investigational KKEARN N#Cc1ccccc1Cn1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000100437328 554393088 /nfs/dbraw/zinc/39/30/88/554393088.db2.gz FSPRPFKTBCXKQB-SAAXWPENSA-N 0 0 538.676 7.234 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccccc2Br)cc1OC ZINC000059503715 554399552 /nfs/dbraw/zinc/39/95/52/554399552.db2.gz QYBAQZRAWTVGNI-URAOTHONSA-N 0 0 587.514 6.775 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2ccccc2Br)cc1OC ZINC000059503716 554399559 /nfs/dbraw/zinc/39/95/59/554399559.db2.gz QYBAQZRAWTVGNI-JRPXNJEYSA-N 0 0 587.514 6.775 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000100472308 554399764 /nfs/dbraw/zinc/39/97/64/554399764.db2.gz SWAGUYYZZPISGD-WVMBUTMQSA-N 0 0 501.501 5.382 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000100472312 554399801 /nfs/dbraw/zinc/39/98/01/554399801.db2.gz SWAGUYYZZPISGD-YIGJPRQDSA-N 0 0 501.501 5.382 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000059503796 554400197 /nfs/dbraw/zinc/40/01/97/554400197.db2.gz OYILOKYLBWOEPN-MNNSJKJDSA-N 0 0 545.605 6.772 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000059503816 554400342 /nfs/dbraw/zinc/40/03/42/554400342.db2.gz RHVCVYFBYZFDTP-IIMAJNMQSA-N 0 0 592.614 6.732 50 30 KKEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(OC)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000059503887 554400371 /nfs/dbraw/zinc/40/03/71/554400371.db2.gz GQJBQFJVEYEOBU-UHFFFAOYSA-N 0 0 548.079 7.025 50 30 KKEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Cl)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000059515029 554402078 /nfs/dbraw/zinc/40/20/78/554402078.db2.gz MEYSWYJQXSXVLX-IOYDYCAWSA-N 0 0 538.025 5.628 50 30 KKEARN O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000100486506 554402443 /nfs/dbraw/zinc/40/24/43/554402443.db2.gz ALJYKMCZEQCDCE-RMKNXTFCSA-N 0 0 533.334 5.533 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2ccc(C)s2)cc1 ZINC000059524787 554405852 /nfs/dbraw/zinc/40/58/52/554405852.db2.gz QPLLWORRGGHJLV-WENCNXQZSA-N 0 0 544.673 6.083 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccccc3c2=O)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000059596133 554408808 /nfs/dbraw/zinc/40/88/08/554408808.db2.gz WLSNVHVFDLTDLC-FXEKFNFISA-N 0 0 529.564 5.016 50 30 KKEARN C=CCn1c(CC(=O)Nc2ccccc2CC)nnc1SCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000059616716 554413049 /nfs/dbraw/zinc/41/30/49/554413049.db2.gz HYPNZPIWNKVYQJ-UHFFFAOYSA-N 0 0 548.894 5.354 50 30 KKEARN C=CCn1c(S[C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000059616964 554413289 /nfs/dbraw/zinc/41/32/89/554413289.db2.gz WQCLSFRKUWHAEC-DEOSSOPVSA-N 0 0 542.621 5.801 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059626433 554414776 /nfs/dbraw/zinc/41/47/76/554414776.db2.gz CXMQPDCTRXYJQU-VSPOGIRPSA-N 0 0 532.593 5.077 50 30 KKEARN COc1cc(Br)c([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100552178 554415071 /nfs/dbraw/zinc/41/50/71/554415071.db2.gz KGUWVOXEWIEIMH-UGDMGKLASA-N 0 0 618.524 6.450 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000100553105 554415326 /nfs/dbraw/zinc/41/53/26/554415326.db2.gz CSENIHBGMSCXSP-CLYVBNDRSA-N 0 0 584.463 5.128 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000100553854 554415818 /nfs/dbraw/zinc/41/58/18/554415818.db2.gz XLUUKDLKKYWMFT-NYFMKLKXSA-N 0 0 551.683 6.630 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100554143 554415850 /nfs/dbraw/zinc/41/58/50/554415850.db2.gz BRWMYAQOLLRRQX-PZGXJGMVSA-N 0 0 568.066 5.605 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000100554443 554416086 /nfs/dbraw/zinc/41/60/86/554416086.db2.gz OSYLXJNWFDIIDE-IPBJYNAHSA-N 0 0 539.628 5.688 50 30 KKEARN COCc1cc(C)nc(N=NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1C#N ZINC000059641398 554416902 /nfs/dbraw/zinc/41/69/02/554416902.db2.gz KADVEEGNFUFBOB-FJEPWZHXSA-N 0 0 515.411 6.349 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100558649 554417283 /nfs/dbraw/zinc/41/72/83/554417283.db2.gz ALSOYSLRAPHJEF-PHDITVQNSA-N 0 0 574.899 6.520 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000100559337 554417441 /nfs/dbraw/zinc/41/74/41/554417441.db2.gz MGZSQHBGHWAAHA-CHJDUVSTSA-N 0 0 560.046 6.038 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000100558946 554417451 /nfs/dbraw/zinc/41/74/51/554417451.db2.gz NTROTUSUXZALSM-SIBVEZHUSA-N 0 0 540.454 5.781 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000100559105 554417569 /nfs/dbraw/zinc/41/75/69/554417569.db2.gz IBBPXOSLUYBARN-NRUKRWIHSA-N 0 0 572.101 7.113 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100559602 554417576 /nfs/dbraw/zinc/41/75/76/554417576.db2.gz YLDRQZWRUAOEIV-VVFBEHOQSA-N 0 0 541.091 6.554 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559845 554417840 /nfs/dbraw/zinc/41/78/40/554417840.db2.gz GVQKZXPLGSCPKI-DFXYEROKSA-N 0 0 608.518 7.082 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100561623 554418123 /nfs/dbraw/zinc/41/81/23/554418123.db2.gz CCNDDAISOUEHNT-IEWVHIKDSA-N 0 0 537.656 6.459 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100562432 554418676 /nfs/dbraw/zinc/41/86/76/554418676.db2.gz SGOZMXQSZXFNOA-PIKZIKFNSA-N 0 0 566.912 7.794 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Br)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000100563003 554418935 /nfs/dbraw/zinc/41/89/35/554418935.db2.gz AACIDKCASCFPJZ-SKCUWOTOSA-N 0 0 528.446 6.554 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(I)c1 ZINC000100568168 554420649 /nfs/dbraw/zinc/42/06/49/554420649.db2.gz GUAHTABZVNTTPO-NLFFAJNJSA-N 0 0 541.429 5.996 50 30 KKEARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)c1 ZINC000100569911 554421613 /nfs/dbraw/zinc/42/16/13/554421613.db2.gz YBBHOWPDUABGOD-HFJFZZAHSA-N 0 0 541.551 5.903 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)/C(=N\CCc3ccc4c(c3)OCO4)S2)cc1 ZINC000100570473 554421928 /nfs/dbraw/zinc/42/19/28/554421928.db2.gz LZVLBUFNFCSDTN-RYRBQSRMSA-N 0 0 549.624 5.419 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100574785 554422718 /nfs/dbraw/zinc/42/27/18/554422718.db2.gz FEOZCRONQVYOJT-XYFQYJLHSA-N 0 0 572.101 6.860 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000100574780 554422819 /nfs/dbraw/zinc/42/28/19/554422819.db2.gz FEOZCRONQVYOJT-DICHSLLOSA-N 0 0 572.101 6.860 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O ZINC000100576024 554423295 /nfs/dbraw/zinc/42/32/95/554423295.db2.gz IAZBIUXATMFCNK-WTYVLRPYSA-N 0 0 536.068 6.682 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100575955 554423331 /nfs/dbraw/zinc/42/33/31/554423331.db2.gz MFNKFIPQRKPHSU-YJNPBZNESA-N 0 0 563.694 7.122 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000100575934 554423380 /nfs/dbraw/zinc/42/33/80/554423380.db2.gz SWVPUIXWWBFFLM-SSOJOUAXSA-N 0 0 562.515 6.366 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000100578660 554424398 /nfs/dbraw/zinc/42/43/98/554424398.db2.gz WKPDYGDGBFXPSA-ONOMSOESSA-N 0 0 580.519 6.704 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100581502 554425006 /nfs/dbraw/zinc/42/50/06/554425006.db2.gz MMHAGLMXNORVFF-HRFSGMKKSA-N 0 0 542.097 6.015 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1OC(C)=O ZINC000059696275 554425435 /nfs/dbraw/zinc/42/54/35/554425435.db2.gz NUWXYZYFUCDFPK-UEGGZXHXSA-N 0 0 552.067 6.367 50 30 KKEARN Cc1ccc(-n2c(-c3ccccc3)cc(CN=Nc3ncc(F)c(N4CCOCC4)n3)c2-c2ccccc2)cc1 ZINC000059706202 554425714 /nfs/dbraw/zinc/42/57/14/554425714.db2.gz YEBSEGMAKJOAIR-XICOUIIWSA-N 0 0 532.623 6.331 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000059706301 554426035 /nfs/dbraw/zinc/42/60/35/554426035.db2.gz MREUJAHYIJDZSX-CHJDUVSTSA-N 0 0 618.524 6.537 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000059706427 554426283 /nfs/dbraw/zinc/42/62/83/554426283.db2.gz FSVQCVWFXBYEQK-PPHZAIPVSA-N 0 0 600.506 5.503 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100587948 554427003 /nfs/dbraw/zinc/42/70/03/554427003.db2.gz IQROCLREFYPGKN-SONOPUAISA-N 0 0 626.544 6.331 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100587946 554427092 /nfs/dbraw/zinc/42/70/92/554427092.db2.gz IQROCLREFYPGKN-XBBWARJSSA-N 0 0 626.544 6.331 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000100588124 554427350 /nfs/dbraw/zinc/42/73/50/554427350.db2.gz FJDFIRYVICNGSS-DNOBIOAJSA-N 0 0 600.506 5.798 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000059735748 554427407 /nfs/dbraw/zinc/42/74/07/554427407.db2.gz CBIWVYWGIYHNIC-MNAQKMTRSA-N 0 0 584.669 5.730 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000100588121 554427453 /nfs/dbraw/zinc/42/74/53/554427453.db2.gz FJDFIRYVICNGSS-CLYVBNDRSA-N 0 0 600.506 5.798 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000100588216 554427579 /nfs/dbraw/zinc/42/75/79/554427579.db2.gz FEQVRHCKIQXNLJ-DNOBIOAJSA-N 0 0 570.480 5.790 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000100588219 554427606 /nfs/dbraw/zinc/42/76/06/554427606.db2.gz FEQVRHCKIQXNLJ-CLYVBNDRSA-N 0 0 570.480 5.790 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100588164 554427625 /nfs/dbraw/zinc/42/76/25/554427625.db2.gz PJNUJSAIANWDJP-JQJBXXCASA-N 0 0 583.681 5.834 50 30 KKEARN COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O ZINC000059738348 554427599 /nfs/dbraw/zinc/42/75/99/554427599.db2.gz QHDZOUXNYRICSH-SANMLTNESA-N 0 0 594.449 6.458 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000100588356 554428031 /nfs/dbraw/zinc/42/80/31/554428031.db2.gz WPQCLTHGMJAKLL-DLLPINGYSA-N 0 0 539.628 5.817 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000100588309 554428043 /nfs/dbraw/zinc/42/80/43/554428043.db2.gz RDPGDHVHHQKNHS-CPJLOUKISA-N 0 0 572.452 5.105 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000100588289 554428056 /nfs/dbraw/zinc/42/80/56/554428056.db2.gz SBEUCRHWCYCDOV-XRHLQHRESA-N 0 0 600.506 5.798 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000059776067 554429287 /nfs/dbraw/zinc/42/92/87/554429287.db2.gz DROUPNZUCHQSOF-UHFFFAOYSA-N 0 0 535.453 5.300 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100593403 554429435 /nfs/dbraw/zinc/42/94/35/554429435.db2.gz RHEKAAMPMMDYOL-HMILPKGGSA-N 0 0 614.533 6.044 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000100593401 554429443 /nfs/dbraw/zinc/42/94/43/554429443.db2.gz RHEKAAMPMMDYOL-VKGTZQKMSA-N 0 0 614.533 6.044 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000100597819 554430582 /nfs/dbraw/zinc/43/05/82/554430582.db2.gz BJUDESOMDUMSOQ-NDOVKIIASA-N 0 0 597.708 6.224 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000100597796 554430698 /nfs/dbraw/zinc/43/06/98/554430698.db2.gz LIVLIZDKKZYOQG-ONOMSOESSA-N 0 0 567.704 5.466 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC ZINC000100600031 554431389 /nfs/dbraw/zinc/43/13/89/554431389.db2.gz MZBNQWBJXQSTKC-PIKZIKFNSA-N 0 0 573.608 6.052 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000059821621 554431486 /nfs/dbraw/zinc/43/14/86/554431486.db2.gz RUXSKNNRLFVBIS-UQQQWYQISA-N 0 0 563.473 5.414 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000100600077 554431520 /nfs/dbraw/zinc/43/15/20/554431520.db2.gz LGSLFLGFTDVEAZ-FVJSMHJDSA-N 0 0 614.533 6.187 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000100600168 554431828 /nfs/dbraw/zinc/43/18/28/554431828.db2.gz ZJSWPAMPXYYJIR-WRHNGFHOSA-N 0 0 600.506 5.797 50 30 KKEARN CCCCCCCCOc1ccc(CNn2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000100642945 554436548 /nfs/dbraw/zinc/43/65/48/554436548.db2.gz HGLSIBVJVCKBEW-UHFFFAOYSA-N 0 0 515.654 6.564 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100650322 554437082 /nfs/dbraw/zinc/43/70/82/554437082.db2.gz PPUJAYMIAYIGRQ-QHCPKHFHSA-N 0 0 552.494 6.310 50 30 KKEARN CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100650190 554437145 /nfs/dbraw/zinc/43/71/45/554437145.db2.gz ZHOLAAVKNWIOOZ-NRFANRHFSA-N 0 0 545.821 5.648 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000100664923 554439950 /nfs/dbraw/zinc/43/99/50/554439950.db2.gz ATXXQWIVFRLJFQ-XMMPIXPASA-N 0 0 582.520 6.319 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000100669438 554440501 /nfs/dbraw/zinc/44/05/01/554440501.db2.gz QBXNTMHWNBSNLU-XBBWARJSSA-N 0 0 530.571 5.982 50 30 KKEARN CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000100669933 554440985 /nfs/dbraw/zinc/44/09/85/554440985.db2.gz WJROOLPAWRQLHE-NRFANRHFSA-N 0 0 539.779 6.728 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669865 554440986 /nfs/dbraw/zinc/44/09/86/554440986.db2.gz PUANYEDJNPCCKY-JOCHJYFZSA-N 0 0 523.382 7.255 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669788 554440993 /nfs/dbraw/zinc/44/09/93/554440993.db2.gz DGPJKCJCQMCTMP-PPHZAIPVSA-N 0 0 536.981 7.359 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100674160 554442601 /nfs/dbraw/zinc/44/26/01/554442601.db2.gz PNMHLOUFUSRSFJ-FRJUPVQCSA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100674179 554442921 /nfs/dbraw/zinc/44/29/21/554442921.db2.gz RCQZXROIAHHHCI-FKCXQASGSA-N 0 0 581.665 6.201 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100675316 554443681 /nfs/dbraw/zinc/44/36/81/554443681.db2.gz PDXOORIDTDLTPU-LJAQVGFWSA-N 0 0 538.600 5.526 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000100680009 554446053 /nfs/dbraw/zinc/44/60/53/554446053.db2.gz UCRIWDVPWDXZCT-VWLOTQADSA-N 0 0 560.672 6.319 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000059844555 554447937 /nfs/dbraw/zinc/44/79/37/554447937.db2.gz KFHKMMHGGFDJBK-QUGAMOGWSA-N 0 0 554.437 5.500 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000059844595 554448042 /nfs/dbraw/zinc/44/80/42/554448042.db2.gz UPLMTDUXUSLCSR-QUGAMOGWSA-N 0 0 544.431 5.663 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000100690736 554449883 /nfs/dbraw/zinc/44/98/83/554449883.db2.gz VONVIVQCDRGQAX-YUDQIZAISA-N 0 0 579.715 5.677 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1OC)C(Cl)(Cl)Cl ZINC000100701568 554451659 /nfs/dbraw/zinc/45/16/59/554451659.db2.gz PYPWVJZXJKEMJK-QFIPXVFZSA-N 0 0 539.013 7.495 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100701549 554451662 /nfs/dbraw/zinc/45/16/62/554451662.db2.gz ZQWVXDYWSAPKDQ-OAQYLSRUSA-N 0 0 587.883 8.249 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000100701590 554452009 /nfs/dbraw/zinc/45/20/09/554452009.db2.gz PUFFZOISRJEBQH-JOCHJYFZSA-N 0 0 523.014 7.795 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000100701918 554452227 /nfs/dbraw/zinc/45/22/27/554452227.db2.gz UEUXXPCGGNIJBQ-HSZRJFAPSA-N 0 0 567.023 7.273 50 30 KKEARN O=C(Nc1cccc2ccccc21)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100702171 554452257 /nfs/dbraw/zinc/45/22/57/554452257.db2.gz RQOQHWUOSKJUNO-UHFFFAOYSA-N 0 0 533.284 7.517 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100701930 554452296 /nfs/dbraw/zinc/45/22/96/554452296.db2.gz CAYQTYGNQIIRIQ-NRFANRHFSA-N 0 0 553.984 7.395 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccccc2Cl)cc1OC ZINC000100705887 554452779 /nfs/dbraw/zinc/45/27/79/554452779.db2.gz NZUTWBGUAKQCIS-WRONEBCDSA-N 0 0 536.068 6.595 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)c(OC)c1 ZINC000100711631 554453874 /nfs/dbraw/zinc/45/38/74/554453874.db2.gz TYPPSHJBBNGUDN-LNHOCOPESA-N 0 0 541.029 5.183 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N ZINC000100721939 554456022 /nfs/dbraw/zinc/45/60/22/554456022.db2.gz CXLWZRBQAOBLJA-UHFFFAOYSA-N 0 0 544.611 9.593 50 30 KKEARN CCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000100722472 554456250 /nfs/dbraw/zinc/45/62/50/554456250.db2.gz KIIKYOZYUPWVNK-OAQYLSRUSA-N 0 0 508.987 7.323 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl ZINC000100726532 554456964 /nfs/dbraw/zinc/45/69/64/554456964.db2.gz FLAJYJSLIULAJK-XMMPIXPASA-N 0 0 551.068 8.575 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100726558 554456984 /nfs/dbraw/zinc/45/69/84/554456984.db2.gz KYJCUPIACOQAKV-QHCPKHFHSA-N 0 0 615.937 9.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000100726553 554456994 /nfs/dbraw/zinc/45/69/94/554456994.db2.gz KYJCUPIACOQAKV-HSZRJFAPSA-N 0 0 615.937 9.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000100726785 554457182 /nfs/dbraw/zinc/45/71/82/554457182.db2.gz QKIKWSNOUGNHEA-HSZRJFAPSA-N 0 0 615.937 9.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl ZINC000100726867 554457526 /nfs/dbraw/zinc/45/75/26/554457526.db2.gz ZLAGRXKNPOPGMR-HSZRJFAPSA-N 0 0 605.931 9.574 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)C[C@H](O)CSc2nc(-c3cccs3)cc(-c3ccccc3)c2C#N)cc1 ZINC000100728681 554458781 /nfs/dbraw/zinc/45/87/81/554458781.db2.gz CPCRQBYLVCGXDU-JOCHJYFZSA-N 0 0 548.755 6.573 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100732399 554460257 /nfs/dbraw/zinc/46/02/57/554460257.db2.gz PNMHLOUFUSRSFJ-WNNZTAQKSA-N 0 0 625.718 5.997 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100732839 554460918 /nfs/dbraw/zinc/46/09/18/554460918.db2.gz CIFFIGAFEKNHJI-VEIFUORISA-N 0 0 581.665 6.201 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000100738440 554462239 /nfs/dbraw/zinc/46/22/39/554462239.db2.gz NLOOEEZJQFJUEC-UHFFFAOYSA-N 0 0 530.754 7.336 50 30 KKEARN C=CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000100746038 554464358 /nfs/dbraw/zinc/46/43/58/554464358.db2.gz XOZYWRCICNYMTF-NNAGEYCMSA-N 0 0 539.701 5.371 50 30 KKEARN CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100755485 554467026 /nfs/dbraw/zinc/46/70/26/554467026.db2.gz IXUCXCYFESXLBS-XAYXJRQQSA-N 0 0 527.393 6.256 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S ZINC000100756200 554467040 /nfs/dbraw/zinc/46/70/40/554467040.db2.gz BTGNBBMAJBSHRA-OOAXWGSJSA-N 0 0 533.763 7.888 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000100775907 554471890 /nfs/dbraw/zinc/47/18/90/554471890.db2.gz MDXJKQQELQYXBP-OYKKKHCWSA-N 0 0 505.412 6.042 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000059895745 554472381 /nfs/dbraw/zinc/47/23/81/554472381.db2.gz WZMASVLKSSRWMM-DEOSSOPVSA-N 0 0 561.388 5.678 50 30 KKEARN FC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000100787039 554472720 /nfs/dbraw/zinc/47/27/20/554472720.db2.gz LWRNQOBXRHWPGE-ZVHKOUPVSA-N 0 0 512.081 6.148 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccccc1 ZINC000100812336 554475212 /nfs/dbraw/zinc/47/52/12/554475212.db2.gz UGAKWIOOXYVLFF-VEYUFSJPSA-N 0 0 542.513 5.083 50 30 KKEARN CCCCCCCCCCCCCCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000100813424 554475542 /nfs/dbraw/zinc/47/55/42/554475542.db2.gz DAADYHIMWGNYCD-UHFFFAOYSA-N 0 0 558.829 8.326 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1O ZINC000100814937 554475786 /nfs/dbraw/zinc/47/57/86/554475786.db2.gz VVOWUEMHDHOZEJ-PQQJFFSGSA-N 0 0 553.500 7.792 50 30 KKEARN COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1OC ZINC000100814948 554475800 /nfs/dbraw/zinc/47/58/00/554475800.db2.gz HEWAQGJPVSHHIL-MJQUVRBKSA-N 0 0 567.527 8.095 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1O ZINC000100814941 554475823 /nfs/dbraw/zinc/47/58/23/554475823.db2.gz SYRMJTYLDCMPAS-MJQUVRBKSA-N 0 0 567.527 8.182 50 30 KKEARN CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1O ZINC000100814946 554475866 /nfs/dbraw/zinc/47/58/66/554475866.db2.gz SYRMJTYLDCMPAS-MQQVZEMLSA-N 0 0 567.527 8.182 50 30 KKEARN C=CCOc1c(Br)cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1OC ZINC000100815001 554476119 /nfs/dbraw/zinc/47/61/19/554476119.db2.gz MGESVPAWFJLLPS-DWAMOBLFSA-N 0 0 593.565 8.651 50 30 KKEARN CCCCCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000100832916 554482932 /nfs/dbraw/zinc/48/29/32/554482932.db2.gz XUJVSNHIDMAKJU-RRCMWTIGSA-N 0 0 539.676 7.868 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000100837889 554484572 /nfs/dbraw/zinc/48/45/72/554484572.db2.gz BDAXYBIOLGQGAP-VAMRJTSQSA-N 0 0 616.252 9.333 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000100838527 554486249 /nfs/dbraw/zinc/48/62/49/554486249.db2.gz BANOYRULRGLPMJ-OFWBYEQRSA-N 0 0 602.225 8.943 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100842396 554489988 /nfs/dbraw/zinc/48/99/88/554489988.db2.gz JABYSVDUPQHPCN-XSZPGNIMSA-N 0 0 551.451 5.531 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)oc2cc(O)ccc21 ZINC000100844887 554490922 /nfs/dbraw/zinc/49/09/22/554490922.db2.gz XPFHNNDGQBZTSM-UHFFFAOYSA-N 0 0 506.727 9.806 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000100845690 554491188 /nfs/dbraw/zinc/49/11/88/554491188.db2.gz MEFGUTSPIFOZKZ-MKWGYRPRSA-N 0 0 563.100 5.600 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850045 554492567 /nfs/dbraw/zinc/49/25/67/554492567.db2.gz MFRNVEBLHNEBSS-SYBRLPANSA-N 0 0 551.683 6.979 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S ZINC000100871521 554499637 /nfs/dbraw/zinc/49/96/37/554499637.db2.gz YOVGVDBIPUMHER-BWAHOGKJSA-N 0 0 540.154 7.763 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)SC1=S ZINC000100871698 554499942 /nfs/dbraw/zinc/49/99/42/554499942.db2.gz VSZOGXSVEKWKKS-QPLCGJKRSA-N 0 0 567.733 5.621 50 30 KKEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100874372 554503241 /nfs/dbraw/zinc/50/32/41/554503241.db2.gz OPFOKAQTAOAUCX-LCUIJRPUSA-N 0 0 542.480 5.218 50 30 KKEARN CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCCCC3)c(F)c2)c1O ZINC000062724435 554508270 /nfs/dbraw/zinc/50/82/70/554508270.db2.gz XQXVBGBADUJNMT-WYMPLXKRSA-N 0 0 500.206 6.196 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[nH]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000100888127 554509419 /nfs/dbraw/zinc/50/94/19/554509419.db2.gz ATGPZGQBJMIPFL-HXUWFJFHSA-N 0 0 556.913 6.679 50 30 KKEARN COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)nc3scc(-c4ccc(C)cc4)c3c2=O)cc1 ZINC000100889397 554510758 /nfs/dbraw/zinc/51/07/58/554510758.db2.gz MHHZBOFLEAWBBD-IBGZPJMESA-N 0 0 612.802 7.220 50 30 KKEARN CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000064624451 554513391 /nfs/dbraw/zinc/51/33/91/554513391.db2.gz YLFSVIMMRPNPFK-WEQBUNFVSA-N 0 0 541.444 6.452 50 30 in-vitro KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000100897804 554514107 /nfs/dbraw/zinc/51/41/07/554514107.db2.gz FDOREGMMNLPNNE-WRONEBCDSA-N 0 0 542.632 5.617 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000100897251 554514144 /nfs/dbraw/zinc/51/41/44/554514144.db2.gz FTQVTBMLOAFGBN-SLNBGYMFSA-N 0 0 526.772 6.047 50 30 KKEARN Cc1c(C#N)c(=O)n(C)c(N2CCC(Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000100902214 554515051 /nfs/dbraw/zinc/51/50/51/554515051.db2.gz JLGZFUYARFSMQH-XYGWBWBKSA-N 0 0 544.702 5.019 50 30 KKEARN FC(F)(F)c1cnc(C(=CNc2ccc(Cl)cc2Cl)/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000100911745 554517570 /nfs/dbraw/zinc/51/75/70/554517570.db2.gz RPYKGYRPEHXWBH-BDOJRQHCSA-N 0 0 569.625 9.023 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2C[C@H](C)C[C@H](C)C2)SC1=S ZINC000100916989 554519892 /nfs/dbraw/zinc/51/98/92/554519892.db2.gz AGZMBLCJMMGRBP-BBYRZCDXSA-N 0 0 526.772 6.047 50 30 KKEARN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]1c1ccc(SC)cc1 ZINC000100918163 554520521 /nfs/dbraw/zinc/52/05/21/554520521.db2.gz AAGBCOMBXJXFMS-SESVDKBCSA-N 0 0 530.524 5.116 50 30 KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]1c1ccc(SC)cc1 ZINC000100918161 554520563 /nfs/dbraw/zinc/52/05/63/554520563.db2.gz AAGBCOMBXJXFMS-HLAWJBBLSA-N 0 0 530.524 5.116 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1)c1cccs1 ZINC000100921038 554521326 /nfs/dbraw/zinc/52/13/26/554521326.db2.gz OQVOASUNQUNSDF-XICOUIIWSA-N 0 0 544.640 7.057 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 ZINC000100921200 554521329 /nfs/dbraw/zinc/52/13/29/554521329.db2.gz FSAMUJPTSHAWOD-JWGURIENSA-N 0 0 503.089 6.626 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000100925097 554523704 /nfs/dbraw/zinc/52/37/04/554523704.db2.gz WLSQXYSMXLDMMA-UHFFFAOYSA-N 0 0 580.057 6.493 50 30 KKEARN N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000066091566 554528239 /nfs/dbraw/zinc/52/82/39/554528239.db2.gz XLMJMYIGVIBKLG-ZGDGUDBWSA-N 0 0 518.563 6.656 50 30 KKEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934233 554528648 /nfs/dbraw/zinc/52/86/48/554528648.db2.gz ZMOHLOKVMRUDBM-SANMLTNESA-N 0 0 600.512 5.452 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000068568869 554539535 /nfs/dbraw/zinc/53/95/35/554539535.db2.gz JATNMIPVKCXQQE-BHVANESWSA-N 0 0 560.823 10.756 50 30 KKEARN FC(F)(F)C(c1nc(N2CCOCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000068572847 554539811 /nfs/dbraw/zinc/53/98/11/554539811.db2.gz GYLZFEIRCPTBRZ-UHFFFAOYSA-N 0 0 602.220 5.558 50 30 KKEARN CN(c1ccccc1)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000068572917 554540120 /nfs/dbraw/zinc/54/01/20/554540120.db2.gz MEQUVHSCYYWGJT-UHFFFAOYSA-N 0 0 518.258 5.384 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000100969661 554543365 /nfs/dbraw/zinc/54/33/65/554543365.db2.gz ROELQMMDYHGOGI-UHFFFAOYSA-N 0 0 530.775 8.306 50 30 KKEARN CCCCCCCCCCCCCCCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(N)c1 ZINC000100969479 554543410 /nfs/dbraw/zinc/54/34/10/554543410.db2.gz DSITWRGADKLGLJ-MHZLTWQESA-N 0 0 530.819 8.511 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000100971322 554543843 /nfs/dbraw/zinc/54/38/43/554543843.db2.gz VJUMOZMBXSYWNJ-HZVWYJMBSA-N 0 0 540.041 5.526 50 30 KKEARN C(=N/c1ccc2oc(-c3cccc(/N=C\c4ccc(OCc5ccccc5)cc4)c3)nc2c1)\c1ccc(OCc2ccccc2)cc1 ZINC000100977207 554547262 /nfs/dbraw/zinc/54/72/62/554547262.db2.gz VETYFRUYUGCUBP-BKHYMJPJSA-N 0 0 613.717 10.154 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1/s/c(=C/c2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000100982751 554547954 /nfs/dbraw/zinc/54/79/54/554547954.db2.gz KAGPCMASZVLDMD-VCJSPDFESA-N 0 0 526.832 5.001 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1/s/c(=C/c2ccc(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000100988665 554549406 /nfs/dbraw/zinc/54/94/06/554549406.db2.gz KJWDKYAIGRXSSN-UHWLPQKTSA-N 0 0 561.277 5.654 50 30 KKEARN CC(C)c1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2-c2ccccc2)cc1 ZINC000100989067 554549595 /nfs/dbraw/zinc/54/95/95/554549595.db2.gz VVPSETAXBVUJKY-BBDMNEDCSA-N 0 0 576.634 5.332 50 30 KKEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C/c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000100989041 554549607 /nfs/dbraw/zinc/54/96/07/554549607.db2.gz BFHMQIBHHCYIIR-JSTWGCDDSA-N 0 0 558.446 5.608 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000101001036 554552206 /nfs/dbraw/zinc/55/22/06/554552206.db2.gz DEPRDKQBYHBANL-XLNRJJMWSA-N 0 0 524.687 6.007 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101011716 554558283 /nfs/dbraw/zinc/55/82/83/554558283.db2.gz JDPGPOMYIHZFRZ-UHFFFAOYSA-N 0 0 553.036 9.096 50 30 KKEARN C(C#CCC(c1ccccc1)(c1ccccc1)c1ccccc1)#CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000101016181 554560158 /nfs/dbraw/zinc/56/01/58/554560158.db2.gz QDUIMDCZLYKUHA-UHFFFAOYSA-N 0 0 562.756 9.843 50 30 KKEARN CCCCCCCCCCCCCCCCCCn1c2ccc(S(=O)(=O)[O-])cc2nc1CC[C@@](C)([NH3+])CC ZINC000101016443 554560440 /nfs/dbraw/zinc/56/04/40/554560440.db2.gz FTHZRKJABKKXHF-HKBQPEDESA-N 0 0 549.866 8.605 50 30 KKEARN CCCCCCCCCCCCCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 ZINC000101022729 554562221 /nfs/dbraw/zinc/56/22/21/554562221.db2.gz NVIKMCIJYLCBPE-UHFFFAOYSA-N 0 0 523.747 7.473 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC ZINC000101025578 554563577 /nfs/dbraw/zinc/56/35/77/554563577.db2.gz CGHMBMJQQSKYRO-PUAOIOHZSA-N 0 0 561.689 5.468 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101060233 554570227 /nfs/dbraw/zinc/57/02/27/554570227.db2.gz UARRLMHSMRBBNJ-LMKMVOKYSA-N 0 0 532.463 6.669 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N(CCC)CCC)SC1=S ZINC000101061577 554570331 /nfs/dbraw/zinc/57/03/31/554570331.db2.gz YSDOIPPNLDVZAZ-QOCHGBHMSA-N 0 0 514.761 6.191 50 30 KKEARN Cc1c(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000101069773 554574107 /nfs/dbraw/zinc/57/41/07/554574107.db2.gz AIOTWXVWIGBFRG-KQAPWQHSSA-N 0 0 558.432 5.182 50 30 KKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069829 554574335 /nfs/dbraw/zinc/57/43/35/554574335.db2.gz NGSANCGIXHQCSV-HOGKFDNTSA-N 0 0 511.803 5.795 50 30 KKEARN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3cccc([N+](=O)[O-])c3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101078638 554578505 /nfs/dbraw/zinc/57/85/05/554578505.db2.gz KDWUEILZCWOQGW-PYWPZVNCSA-N 0 0 540.483 7.573 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)C(=NNc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101079684 554578543 /nfs/dbraw/zinc/57/85/43/554578543.db2.gz SQVUVIZJACSNDE-UHFFFAOYSA-N 0 0 573.291 6.532 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(-c3ccc(Br)cc3)o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000101084531 554580310 /nfs/dbraw/zinc/58/03/10/554580310.db2.gz OTRBBEJKGUYUMI-VWLOTQADSA-N 0 0 513.428 6.568 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N(CCC)CCC)SC1=S ZINC000101092651 554583098 /nfs/dbraw/zinc/58/30/98/554583098.db2.gz SDUUYYLVCBGYMR-FXBPSFAMSA-N 0 0 500.734 5.801 50 30 KKEARN O=C1C=CC(=O)c2c3ccc4ccc(Br)cc4c3c3c4cc(Br)ccc4ccc3c21 ZINC000101094085 554583693 /nfs/dbraw/zinc/58/36/93/554583693.db2.gz SSIOOQRXAIPWRZ-UHFFFAOYSA-N 0 0 516.188 7.760 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000101100230 554587140 /nfs/dbraw/zinc/58/71/40/554587140.db2.gz VFMXTEOGMDQKNL-SOIUSXPSSA-N 0 0 504.380 5.394 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000101100233 554587158 /nfs/dbraw/zinc/58/71/58/554587158.db2.gz VFMXTEOGMDQKNL-YMMFOPJESA-N 0 0 504.380 5.394 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000101105101 554639955 /nfs/dbraw/zinc/63/99/55/554639955.db2.gz QHYVOTOOOJICPE-ZYVHIHPKSA-N 0 0 543.587 5.464 50 30 KKEARN COc1ccc([C@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101114255 554642536 /nfs/dbraw/zinc/64/25/36/554642536.db2.gz APTAGRCWFBLRRZ-HZENYYCUSA-N 0 0 529.622 5.303 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128730 554647113 /nfs/dbraw/zinc/64/71/13/554647113.db2.gz FDIHEDDXOLHKTD-QYJHSCKRSA-N 0 0 602.716 5.134 50 30 KKEARN C/C(=N/OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1ccccc1)c1ccccc1 ZINC000101156709 554658853 /nfs/dbraw/zinc/65/88/53/554658853.db2.gz AUBJJHXOGZLXJB-QSDVDRKNSA-N 0 0 527.588 5.845 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N(CCC)CCC)SC1=S ZINC000101157742 554659104 /nfs/dbraw/zinc/65/91/04/554659104.db2.gz NEYFEKAPBILPJZ-VZCXRCSSSA-N 0 0 500.734 5.883 50 30 KKEARN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccc(Br)c1 ZINC000101162880 554660304 /nfs/dbraw/zinc/66/03/04/554660304.db2.gz UTUSYGRKNZGBOQ-OAQYLSRUSA-N 0 0 566.290 5.227 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000101166586 554660999 /nfs/dbraw/zinc/66/09/99/554660999.db2.gz FMUBULHBSQRYGY-HHHXNRCGSA-N 0 0 533.650 5.057 50 30 KKEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c3nc(CO/N=C/c4ccccc4Cl)nn3cnc1O2 ZINC000101175016 554662807 /nfs/dbraw/zinc/66/28/07/554662807.db2.gz CWDPEUKFQGRZGR-RETWFDOMSA-N 0 0 548.006 6.108 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)N(c1ccccc1)c1ccccc1 ZINC000101185245 554668983 /nfs/dbraw/zinc/66/89/83/554668983.db2.gz YELRQMNAGKUCTO-UHFFFAOYSA-N 0 0 532.068 8.398 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000101194591 554671849 /nfs/dbraw/zinc/67/18/49/554671849.db2.gz BLAYSRDLQMWOLT-CHJDUVSTSA-N 0 0 549.664 5.432 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(C)cc2)cc1OC ZINC000101194700 554671979 /nfs/dbraw/zinc/67/19/79/554671979.db2.gz RRTDZEVCPPHMHY-XYFQYJLHSA-N 0 0 537.656 6.160 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(C)cc2)cc1OC ZINC000101194698 554672006 /nfs/dbraw/zinc/67/20/06/554672006.db2.gz RRTDZEVCPPHMHY-DICHSLLOSA-N 0 0 537.656 6.160 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101204438 554674336 /nfs/dbraw/zinc/67/43/36/554674336.db2.gz RBYRRPHNLYZDEI-WHLCRQNOSA-N 0 0 584.507 6.180 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000101204561 554674586 /nfs/dbraw/zinc/67/45/86/554674586.db2.gz DYABTWZZEFCGBA-VKGTZQKMSA-N 0 0 630.532 5.512 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204546 554674596 /nfs/dbraw/zinc/67/45/96/554674596.db2.gz RDRDQDBHKRTBIC-XRHLQHRESA-N 0 0 616.505 5.122 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101204536 554674603 /nfs/dbraw/zinc/67/46/03/554674603.db2.gz HHKRWCDJXNVKBI-JKFCTSDTSA-N 0 0 597.708 6.224 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101204737 554674774 /nfs/dbraw/zinc/67/47/74/554674774.db2.gz HVFLHHGCVUGCCH-CLYVBNDRSA-N 0 0 616.505 5.035 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204810 554674949 /nfs/dbraw/zinc/67/49/49/554674949.db2.gz VMSSPLXRAYPFFT-VKGTZQKMSA-N 0 0 614.533 6.188 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000101208977 554678056 /nfs/dbraw/zinc/67/80/56/554678056.db2.gz ZHMAPQCHSBXAEJ-UHFFFAOYSA-N 0 0 539.850 6.766 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C(=O)c1cccc(Br)c1 ZINC000101209956 554678728 /nfs/dbraw/zinc/67/87/28/554678728.db2.gz OZMHUOJODMYHIW-QHCPKHFHSA-N 0 0 559.913 5.997 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000101210471 554679002 /nfs/dbraw/zinc/67/90/02/554679002.db2.gz JNVSPIQKEOZYLJ-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN C=CCN(C(=O)c1sc2nc(C)c(C(=O)Nc3ccc(C)cc3C)c(-c3ccc(Cl)cc3)c2c1N)c1ccccc1 ZINC000101211017 554679540 /nfs/dbraw/zinc/67/95/40/554679540.db2.gz FQYXIIXNJSIMOM-UHFFFAOYSA-N 0 0 581.141 8.209 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212706 554679783 /nfs/dbraw/zinc/67/97/83/554679783.db2.gz HICRACYKWJQTCJ-UGDMGKLASA-N 0 0 618.524 6.580 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101212689 554679784 /nfs/dbraw/zinc/67/97/84/554679784.db2.gz YYJZXPBXHCDNCV-CYFIQEHSSA-N 0 0 627.734 6.485 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000101212654 554679797 /nfs/dbraw/zinc/67/97/97/554679797.db2.gz YVGIOPIELLYDLK-SFRLIIPVSA-N 0 0 613.776 6.941 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101213015 554680242 /nfs/dbraw/zinc/68/02/42/554680242.db2.gz GCSXXKKSJDDUED-UDNBHOFDSA-N 0 0 632.551 6.622 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101218129 554685263 /nfs/dbraw/zinc/68/52/63/554685263.db2.gz SWPWLXJEZBNRKB-CXNHSUMOSA-N 0 0 607.747 7.520 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000101218275 554685269 /nfs/dbraw/zinc/68/52/69/554685269.db2.gz TXOVODMKFJIZKQ-JKFCTSDTSA-N 0 0 611.691 5.785 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000101218403 554685504 /nfs/dbraw/zinc/68/55/04/554685504.db2.gz BAWREZYJZHAZFV-HMILPKGGSA-N 0 0 630.532 5.510 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218566 554685670 /nfs/dbraw/zinc/68/56/70/554685670.db2.gz LDQOJCLLUWNLQB-GJBXTBEHSA-N 0 0 599.680 5.792 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2ccc(O)cc2)cc1OC ZINC000101218586 554685896 /nfs/dbraw/zinc/68/58/96/554685896.db2.gz OUOFPMDRCMXSST-GTYOFVGBSA-N 0 0 555.627 5.393 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000101220636 554686550 /nfs/dbraw/zinc/68/65/50/554686550.db2.gz YDLKXNUOYMRMNH-GDJIYFAZSA-N 0 0 630.532 5.425 50 30 KKEARN C=CCN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000101236483 554691162 /nfs/dbraw/zinc/69/11/62/554691162.db2.gz LCFMFXYXKXRSNY-BTYSJIOQSA-N 0 0 589.737 5.063 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237630 554692141 /nfs/dbraw/zinc/69/21/41/554692141.db2.gz AYNPKDPHSLIQFN-GGXMVOPNSA-N 0 0 588.630 5.024 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCCCc3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237552 554692148 /nfs/dbraw/zinc/69/21/48/554692148.db2.gz JVYSSBPPHPEVNX-SHQCIBLASA-N 0 0 568.640 5.218 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237991 554692504 /nfs/dbraw/zinc/69/25/04/554692504.db2.gz LYETVLYHMYMSHU-SXOMAYOGSA-N 0 0 576.575 5.443 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276800 554703226 /nfs/dbraw/zinc/70/32/26/554703226.db2.gz WWZXNUYCGMYIBV-ZLYDLHQSSA-N 0 0 602.709 6.169 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277679 554703860 /nfs/dbraw/zinc/70/38/60/554703860.db2.gz MVXGKKSILZLAET-SBXHHDGASA-N 0 0 560.672 6.035 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277459 554703947 /nfs/dbraw/zinc/70/39/47/554703947.db2.gz LTVQCKQQTOJEKK-XVTRYDTASA-N 0 0 604.681 5.541 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277683 554704150 /nfs/dbraw/zinc/70/41/50/554704150.db2.gz UMXBGCUBEDCIAO-NXLSWJSLSA-N 0 0 560.672 6.035 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277825 554704239 /nfs/dbraw/zinc/70/42/39/554704239.db2.gz TWOCCGOGJKRYNA-ZHHPLPSFSA-N 0 0 532.618 5.300 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000101278338 554704885 /nfs/dbraw/zinc/70/48/85/554704885.db2.gz GHKBFIIPGICHNS-RPUIFAKWSA-N 0 0 560.628 5.143 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000101278474 554704995 /nfs/dbraw/zinc/70/49/95/554704995.db2.gz GZSQLMIDJQQUCQ-ONQGDUAMSA-N 0 0 580.662 6.308 50 30 KKEARN CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000101285531 554705717 /nfs/dbraw/zinc/70/57/17/554705717.db2.gz SCBUMTOTCYRWEI-RUZDIDTESA-N 0 0 507.631 6.255 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293982 554710294 /nfs/dbraw/zinc/71/02/94/554710294.db2.gz MUORBGZRWKBHRH-NPJIAGGLSA-N 0 0 514.578 6.189 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293850 554710389 /nfs/dbraw/zinc/71/03/89/554710389.db2.gz JCSAGJQFPOLGRT-CJJGVWJISA-N 0 0 526.614 6.113 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101294194 554710625 /nfs/dbraw/zinc/71/06/25/554710625.db2.gz NSBZSVPFKXPGCY-SASZYUHJSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101294193 554710652 /nfs/dbraw/zinc/71/06/52/554710652.db2.gz NSBZSVPFKXPGCY-VURVUJTCSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294268 554711128 /nfs/dbraw/zinc/71/11/28/554711128.db2.gz IYUDZHPKSBRVPZ-FPRSLYQBSA-N 0 0 568.651 6.210 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294331 554711275 /nfs/dbraw/zinc/71/12/75/554711275.db2.gz AOITVOYBGKHVGE-CJJGVWJISA-N 0 0 540.597 5.567 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000101298601 554712786 /nfs/dbraw/zinc/71/27/86/554712786.db2.gz PQOAZSPPSJHZMF-QMMFTLRZSA-N 0 0 535.596 6.354 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310293 554717635 /nfs/dbraw/zinc/71/76/35/554717635.db2.gz UYDCIPAVGVGJBP-IZSGBISHSA-N 0 0 612.704 6.608 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310279 554717668 /nfs/dbraw/zinc/71/76/68/554717668.db2.gz QXKFCTJBIICVGU-LQRKZSIOSA-N 0 0 586.641 6.349 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310405 554717815 /nfs/dbraw/zinc/71/78/15/554717815.db2.gz CECZCGQCQJNBMF-IQKFOVTFSA-N 0 0 598.677 6.274 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310429 554717914 /nfs/dbraw/zinc/71/79/14/554717914.db2.gz IANPYJQIUFGAPJ-TXTDGAROSA-N 0 0 600.649 5.666 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000101312884 554721099 /nfs/dbraw/zinc/72/10/99/554721099.db2.gz NOBDXYGCCIQULC-RPWYQEBTSA-N 0 0 582.656 6.242 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313663 554721805 /nfs/dbraw/zinc/72/18/05/554721805.db2.gz PTRACXRQXCDCRQ-SASZYUHJSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313586 554721829 /nfs/dbraw/zinc/72/18/29/554721829.db2.gz CKKBWKSGKPYKJI-SBXHHDGASA-N 0 0 500.576 5.951 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313658 554721878 /nfs/dbraw/zinc/72/18/78/554721878.db2.gz PTRACXRQXCDCRQ-RIIRCPHSSA-N 0 0 552.652 6.428 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313718 554722140 /nfs/dbraw/zinc/72/21/40/554722140.db2.gz ZVSOOXGVXUUVFR-FZIYRNTBSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313715 554722164 /nfs/dbraw/zinc/72/21/64/554722164.db2.gz ZVSOOXGVXUUVFR-ROBPHKHBSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313709 554722234 /nfs/dbraw/zinc/72/22/34/554722234.db2.gz DSCIFORAMALDTG-SOIUSXPSSA-N 0 0 560.628 5.143 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313939 554722388 /nfs/dbraw/zinc/72/23/88/554722388.db2.gz FDPUKXFYKQCKCY-CJJGVWJISA-N 0 0 556.596 5.267 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316430 554723530 /nfs/dbraw/zinc/72/35/30/554723530.db2.gz FOVUMZIZTFEANM-OTQMSCLFSA-N 0 0 572.639 5.309 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318623 554725634 /nfs/dbraw/zinc/72/56/34/554725634.db2.gz VQEHAOYSKJJRBZ-UOWMXVQPSA-N 0 0 570.620 6.372 50 30 KKEARN C=CCS[C@@]1(Br)NC2=C(CCCC2=Cc2ccccc2Cl)[C@H](c2ccccc2Cl)N1 ZINC000101320966 554727959 /nfs/dbraw/zinc/72/79/59/554727959.db2.gz BHDNWSOAPPDKCV-DSMOPEBXSA-N 0 0 522.339 7.674 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344597 554736898 /nfs/dbraw/zinc/73/68/98/554736898.db2.gz NAVPZQSWSJNTBC-RUZDIDTESA-N 0 0 610.786 7.608 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101344559 554736909 /nfs/dbraw/zinc/73/69/09/554736909.db2.gz BGZSBWRRJIJXKQ-NRFANRHFSA-N 0 0 559.669 6.015 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1C(c1ccccc1)c1ccccc1 ZINC000101361915 554743252 /nfs/dbraw/zinc/74/32/52/554743252.db2.gz JXHGDAGUPOVHFJ-UHFFFAOYSA-N 0 0 572.159 7.076 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000101361546 554743267 /nfs/dbraw/zinc/74/32/67/554743267.db2.gz ALYUPKYJECBYEI-HHHXNRCGSA-N 0 0 549.458 6.584 50 30 KKEARN C=CCn1c(SCc2cccc(Cl)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367856 554744243 /nfs/dbraw/zinc/74/42/43/554744243.db2.gz HKEUIDHZISWNAH-UHFFFAOYSA-N 0 0 577.081 7.457 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376388 554746368 /nfs/dbraw/zinc/74/63/68/554746368.db2.gz JBYLNDKWKYFFRP-QFIPXVFZSA-N 0 0 538.069 5.933 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376357 554746379 /nfs/dbraw/zinc/74/63/79/554746379.db2.gz NYXUMAQPFUXCEG-OAQYLSRUSA-N 0 0 556.059 6.073 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(-c4nc5ccccc5s4)o3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000101380607 554747888 /nfs/dbraw/zinc/74/78/88/554747888.db2.gz AEYAWHUYRHACBM-FQEVSTJZSA-N 0 0 538.669 7.213 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc(F)cc3)N2[C@H]1c1cc(C)ccc1C ZINC000101389397 554753783 /nfs/dbraw/zinc/75/37/83/554753783.db2.gz ODRMXICEYCGPPK-SANMLTNESA-N 0 0 505.615 5.453 50 30 KKEARN FC(F)(F)c1c(Cl)nc(Nc2cccc(SC(F)(F)C(F)(F)C(F)(F)F)c2)c(Cl)c1Cl ZINC000101392452 554756034 /nfs/dbraw/zinc/75/60/34/554756034.db2.gz HMWBLVFQGPZHTJ-UHFFFAOYSA-N 0 0 541.625 8.687 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000101483987 554785052 /nfs/dbraw/zinc/78/50/52/554785052.db2.gz WHRBZXFJYZNUBM-PJTQZDKOSA-N 0 0 597.736 8.063 50 30 KKEARN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000101509227 554792052 /nfs/dbraw/zinc/79/20/52/554792052.db2.gz WCIBRXYIHVHWNC-UHFFFAOYSA-N 0 0 539.782 8.002 50 30 KKEARN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000101530383 554794535 /nfs/dbraw/zinc/79/45/35/554794535.db2.gz NYYJPVICOURSGX-LJQANCHMSA-N 0 0 503.527 5.523 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C(C#N)(C#N)[C@H]3C=Cc4cc(Br)ccc4N32)cc1 ZINC000101537709 554795486 /nfs/dbraw/zinc/79/54/86/554795486.db2.gz LLGXBIAYHQILED-PVHODMMVSA-N 0 0 540.417 5.751 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(C(C)C)cc1)C[C@@](C)(c1cccnc1)O2 ZINC000101683520 554828721 /nfs/dbraw/zinc/82/87/21/554828721.db2.gz PUQFVXKGUKOCGR-YSTJFZTMSA-N 0 0 532.666 5.536 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cccc(Br)c2)CC2CCC(C(=O)NO)CC2)cc1 ZINC000101762149 554836878 /nfs/dbraw/zinc/83/68/78/554836878.db2.gz QCXDMSFZRPQARK-UHFFFAOYSA-N 0 0 537.520 5.249 50 30 KKEARN COc1cc(Br)cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000101855718 554843530 /nfs/dbraw/zinc/84/35/30/554843530.db2.gz MLIGBCKOBCSVCV-AVXIRIOFSA-N 0 0 509.425 5.836 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000101948297 554852870 /nfs/dbraw/zinc/85/28/70/554852870.db2.gz VURRETVICZTKJI-PKYOQBLNSA-N 0 0 615.549 5.663 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccc(C)cc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000101962816 554853588 /nfs/dbraw/zinc/85/35/88/554853588.db2.gz FIYUVIPDEYPKFP-DWSOQSMHSA-N 0 0 512.609 6.265 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000101966166 554853924 /nfs/dbraw/zinc/85/39/24/554853924.db2.gz NJKPQWOQZGWRRM-UPZMMJCBSA-N 0 0 520.057 8.152 50 30 KKEARN COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n21 ZINC000102035966 554869071 /nfs/dbraw/zinc/86/90/71/554869071.db2.gz KVWUUTQTCWSKMS-NAIWQIQESA-N 0 0 565.607 5.154 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000102051051 554871156 /nfs/dbraw/zinc/87/11/56/554871156.db2.gz BADBAMSUBAJMQQ-KMRXNPHXSA-N 0 0 553.615 5.678 50 30 KKEARN O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3 ZINC000102058007 554873138 /nfs/dbraw/zinc/87/31/38/554873138.db2.gz AJZFMIMLDVAICP-UHFFFAOYSA-N 0 0 559.322 6.687 50 30 KKEARN CCCCCCCCCC(=O)Oc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000102066195 554873415 /nfs/dbraw/zinc/87/34/15/554873415.db2.gz CSRWIURPXPPRFQ-UHFFFAOYSA-N 0 0 531.263 8.147 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102076439 554874655 /nfs/dbraw/zinc/87/46/55/554874655.db2.gz HTCUYWYBNIZESF-YELMDPSYSA-N 0 0 525.645 6.099 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076576 554874791 /nfs/dbraw/zinc/87/47/91/554874791.db2.gz JMMWTGIGTHZLKX-DNNDWWBDSA-N 0 0 568.695 6.979 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076550 554874804 /nfs/dbraw/zinc/87/48/04/554874804.db2.gz AIHTVJDFXIHUJU-TVXPFAQOSA-N 0 0 560.672 6.029 50 30 KKEARN CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1 ZINC000102095663 554879170 /nfs/dbraw/zinc/87/91/70/554879170.db2.gz WGINPUKQZFJSFK-UHFFFAOYSA-N 0 0 547.648 7.398 50 30 KKEARN O=C(Nc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1)c1ccco1 ZINC000102131225 554885475 /nfs/dbraw/zinc/88/54/75/554885475.db2.gz FGSOYMXVTLVYKH-HMAPJEAMSA-N 0 0 540.022 5.733 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc4ncccc34)N(C3CCCCC3)C1=O)S2 ZINC000102152968 554889656 /nfs/dbraw/zinc/88/96/56/554889656.db2.gz IRKKWYCWHCHQKP-NPGLLJSBSA-N 0 0 502.665 6.550 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Br)cc3)N(c3ccc(O)cc3)C1=O)S2 ZINC000102153373 554889700 /nfs/dbraw/zinc/88/97/00/554889700.db2.gz YGPAILREUGETES-NPGCFZLRSA-N 0 0 540.464 6.342 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168909 554890883 /nfs/dbraw/zinc/89/08/83/554890883.db2.gz YFWITIXECHPITO-WGGXKBPPSA-N 0 0 548.724 5.471 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000102175247 554891871 /nfs/dbraw/zinc/89/18/71/554891871.db2.gz WAVOYFWUIVBBGV-DFXXOVSGSA-N 0 0 512.650 6.344 50 30 KKEARN CCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000102185909 554893790 /nfs/dbraw/zinc/89/37/90/554893790.db2.gz FJOJHCKBQZZTLM-UHFFFAOYSA-N 0 0 549.627 5.114 50 30 KKEARN C=C(C)CN(C)C(=O)[C@@H](Cc1ccccc1)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2CC ZINC000102237607 554902137 /nfs/dbraw/zinc/90/21/37/554902137.db2.gz UWVTWTSRPVGDCL-GRKNLSHJSA-N 0 0 564.686 5.307 50 30 KKEARN O=C(CC/C(=N\O)[C@H](C(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000102299871 554908201 /nfs/dbraw/zinc/90/82/01/554908201.db2.gz ANQWRVUXGDCDIT-ZPDUGWTNSA-N 0 0 534.237 6.972 50 30 KKEARN CN/N=C(/C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000102299906 554908480 /nfs/dbraw/zinc/90/84/80/554908480.db2.gz DIBUZWOMXHYDIE-YNGJRKCISA-N 0 0 599.685 6.878 50 30 KKEARN N=C1O[C@H](c2ccco2)C(=N/N(c2ccccc2)c2ccccc2)/C1=N/N(c1ccccc1)c1ccccc1 ZINC000102308491 554909428 /nfs/dbraw/zinc/90/94/28/554909428.db2.gz FWNBMUCFILRHFE-VICIFFHGSA-N 0 0 511.585 7.717 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N/N=c2\sc3ccccc3n2C)cc1 ZINC000102313171 554910014 /nfs/dbraw/zinc/91/00/14/554910014.db2.gz PXMVPESGHZVCKL-KTMFPKCZSA-N 0 0 559.842 7.894 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102401860 554920022 /nfs/dbraw/zinc/92/00/22/554920022.db2.gz WMNRCCFRJHPXFV-AYWGPLOBSA-N 0 0 518.591 5.175 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(OC)c(OCc4ccccc4)c3)C2)cc1OC ZINC000102411123 554923585 /nfs/dbraw/zinc/92/35/85/554923585.db2.gz FZSAXAZZLWDYFN-SMSORMJASA-N 0 0 538.604 5.299 50 30 KKEARN O=S(=O)(c1cccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)c1)c1cccc(/N=C/c2ccc(C#Cc3ccccc3)cc2)c1 ZINC000102415265 554924576 /nfs/dbraw/zinc/92/45/76/554924576.db2.gz GOHSEULOJCRMNU-ROIZXALESA-N 0 0 624.765 8.820 50 30 KKEARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102425828 554926111 /nfs/dbraw/zinc/92/61/11/554926111.db2.gz OGEUOPAPYZYXNA-UHFFFAOYSA-N 0 0 569.273 6.139 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21 ZINC000102442464 554930035 /nfs/dbraw/zinc/93/00/35/554930035.db2.gz HWFMFJUGIBSUDH-KJLZTZQRSA-N 0 0 603.469 5.409 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102483563 554937713 /nfs/dbraw/zinc/93/77/13/554937713.db2.gz KGHTVLIMUQJLJO-AYWGPLOBSA-N 0 0 549.446 6.392 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1CCCc1ccccc1 ZINC000102484694 554937884 /nfs/dbraw/zinc/93/78/84/554937884.db2.gz QZGUYXPHOQAZDA-NDEPHWFRSA-N 0 0 574.521 6.368 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102485292 554937944 /nfs/dbraw/zinc/93/79/44/554937944.db2.gz RVBQEVOVFAOFCV-QKJBWNOYSA-N 0 0 530.602 5.565 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491587 554939317 /nfs/dbraw/zinc/93/93/17/554939317.db2.gz OEZVIKDNAAWGOC-MOBKVPTQSA-N 0 0 501.520 5.148 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000102491401 554939362 /nfs/dbraw/zinc/93/93/62/554939362.db2.gz PDJFTSHUCOSDGS-IUKMQXEJSA-N 0 0 508.018 5.571 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102493397 554939674 /nfs/dbraw/zinc/93/96/74/554939674.db2.gz SDCVIHIZVPKSJE-IIHDFJPDSA-N 0 0 518.407 5.437 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000102495343 554940284 /nfs/dbraw/zinc/94/02/84/554940284.db2.gz FDSLQEXKVLDRQT-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102495985 554940612 /nfs/dbraw/zinc/94/06/12/554940612.db2.gz QXECPYKHWQPUJW-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 ZINC000102497366 554941364 /nfs/dbraw/zinc/94/13/64/554941364.db2.gz HYCSVBSJEXTWSY-DFXXOVSGSA-N 0 0 559.449 6.898 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102499005 554941521 /nfs/dbraw/zinc/94/15/21/554941521.db2.gz IODHWQYGKVXAJQ-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499909 554942474 /nfs/dbraw/zinc/94/24/74/554942474.db2.gz OODUPCFWYINKJW-AYWGPLOBSA-N 0 0 504.539 5.387 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102500711 554942904 /nfs/dbraw/zinc/94/29/04/554942904.db2.gz GDCKTEVQLTYEPN-COUQNMRISA-N 0 0 504.995 6.201 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102502931 554943678 /nfs/dbraw/zinc/94/36/78/554943678.db2.gz LLQWUZWEHUUGHT-WGGXKBPPSA-N 0 0 536.584 5.305 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503357 554944033 /nfs/dbraw/zinc/94/40/33/554944033.db2.gz NTCXMFSNKCWINS-UVDRRRQGSA-N 0 0 548.592 5.704 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102504373 554944247 /nfs/dbraw/zinc/94/42/47/554944247.db2.gz POSVLZQYGIGQFD-YJMWBXFMSA-N 0 0 511.618 5.853 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504715 554944357 /nfs/dbraw/zinc/94/43/57/554944357.db2.gz DVLUUJZKYXPGNG-AYWGPLOBSA-N 0 0 504.539 5.387 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102506638 554944609 /nfs/dbraw/zinc/94/46/09/554944609.db2.gz JAKWBXFAUFNBJK-IIHDFJPDSA-N 0 0 518.407 5.437 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102508667 554945715 /nfs/dbraw/zinc/94/57/15/554945715.db2.gz ARBQNQQESBHTGX-SBXHHDGASA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102509473 554946086 /nfs/dbraw/zinc/94/60/86/554946086.db2.gz VHTQVMOYHPFYMM-DHJMZRGKSA-N 0 0 544.629 5.955 50 30 KKEARN COC(=O)[C@]1(Nc2c(Cl)cccc2Cl)C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1ccccc1 ZINC000102513712 554947313 /nfs/dbraw/zinc/94/73/13/554947313.db2.gz UYHVMKXMLCGEIA-CCISSDKNSA-N 0 0 511.361 5.168 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102514620 554947619 /nfs/dbraw/zinc/94/76/19/554947619.db2.gz WLTIEMZVMXNQBY-GSYBUTJLSA-N 0 0 541.644 6.210 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(O)cc1 ZINC000102515351 554947953 /nfs/dbraw/zinc/94/79/53/554947953.db2.gz WQTXMWUKACKIRG-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102516612 554948253 /nfs/dbraw/zinc/94/82/53/554948253.db2.gz MFMSVKGZPLEPIO-AYWGPLOBSA-N 0 0 514.409 5.491 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102519022 554948917 /nfs/dbraw/zinc/94/89/17/554948917.db2.gz JHIBLDBLBOBGFG-GSYBUTJLSA-N 0 0 556.659 5.851 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102521819 554949847 /nfs/dbraw/zinc/94/98/47/554949847.db2.gz UGEXIGFWZBLFFB-WYNCGZBVSA-N 0 0 513.590 5.082 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102525279 554951602 /nfs/dbraw/zinc/95/16/02/554951602.db2.gz CXDVXSKRRBYEFF-MOBKVPTQSA-N 0 0 520.607 5.352 50 30 KKEARN Cc1sc(NC(=O)c2ccccc2)c(/C=N/CC/N=C/c2c(C)c(C)sc2NC(=O)c2ccccc2)c1C ZINC000102524944 554951650 /nfs/dbraw/zinc/95/16/50/554951650.db2.gz PQSXJBZMIZJXLX-LTTYKRRRSA-N 0 0 542.730 7.086 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000102531466 554954176 /nfs/dbraw/zinc/95/41/76/554954176.db2.gz XHCSSRDKWZBPDL-QMMFTLRZSA-N 0 0 566.714 8.637 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000102531459 554954234 /nfs/dbraw/zinc/95/42/34/554954234.db2.gz XHCSSRDKWZBPDL-VEZPTTSMSA-N 0 0 566.714 8.637 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000102537062 554955937 /nfs/dbraw/zinc/95/59/37/554955937.db2.gz NMFSFGDIUDVWTE-TXTDGAROSA-N 0 0 506.558 5.813 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102543092 554958061 /nfs/dbraw/zinc/95/80/61/554958061.db2.gz UVJYGFAVVGCXRT-PYCUTIABSA-N 0 0 561.634 6.220 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000102543098 554958185 /nfs/dbraw/zinc/95/81/85/554958185.db2.gz UVJYGFAVVGCXRT-RVKWYQKSSA-N 0 0 561.634 6.220 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102545555 554959060 /nfs/dbraw/zinc/95/90/60/554959060.db2.gz GFEIFUOMKNQPSG-DHJMZRGKSA-N 0 0 544.629 5.874 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102547195 554959701 /nfs/dbraw/zinc/95/97/01/554959701.db2.gz OBHNMASXCXGJEN-NPJIAGGLSA-N 0 0 528.586 5.401 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102547415 554959985 /nfs/dbraw/zinc/95/99/85/554959985.db2.gz RJKCVNMZHSTGMX-KQAPWQHSSA-N 0 0 556.596 5.097 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102548115 554960147 /nfs/dbraw/zinc/96/01/47/554960147.db2.gz BRTFTJCTAMQURM-POZZTGBKSA-N 0 0 568.695 7.042 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102548402 554960203 /nfs/dbraw/zinc/96/02/03/554960203.db2.gz VQNKEPRGKMLWSR-WATAJRNESA-N 0 0 612.748 7.440 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549422 554961154 /nfs/dbraw/zinc/96/11/54/554961154.db2.gz SVNNMAXLKBVGHC-JVJOXMINSA-N 0 0 601.725 7.043 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102551085 554961846 /nfs/dbraw/zinc/96/18/46/554961846.db2.gz FDSQAZKSSCLRKZ-IUKMQXEJSA-N 0 0 544.585 5.101 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552236 554962475 /nfs/dbraw/zinc/96/24/75/554962475.db2.gz ZWCLHYBCRLNAIR-AHPONGEQSA-N 0 0 620.683 6.672 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102552463 554962790 /nfs/dbraw/zinc/96/27/90/554962790.db2.gz XEQSPIUXGMGOII-MIOXIQPJSA-N 0 0 543.616 5.657 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000102554947 554963796 /nfs/dbraw/zinc/96/37/96/554963796.db2.gz VFAUDWWINUHAET-OWMKWSJFSA-N 0 0 547.007 5.799 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000102555216 554964011 /nfs/dbraw/zinc/96/40/11/554964011.db2.gz ZICULTWBAQBLQG-TXTDGAROSA-N 0 0 529.589 5.267 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555843 554964344 /nfs/dbraw/zinc/96/43/44/554964344.db2.gz BSCJSQIBGKIKJB-JOMJOIQHSA-N 0 0 588.657 6.573 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102556370 554964646 /nfs/dbraw/zinc/96/46/46/554964646.db2.gz UPIQRAGMWFYBMF-SVNRFNMRSA-N 0 0 570.667 6.490 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102557001 554964980 /nfs/dbraw/zinc/96/49/80/554964980.db2.gz WSUFLLUCPSADPD-CJJGVWJISA-N 0 0 503.551 5.242 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000102557219 554965306 /nfs/dbraw/zinc/96/53/06/554965306.db2.gz BNESVEPATFAYCP-MDKLSPHFSA-N 0 0 560.716 5.724 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557580 554965611 /nfs/dbraw/zinc/96/56/11/554965611.db2.gz VRLDWSOIKRNOGX-MWCANZRFSA-N 0 0 576.671 5.757 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102559256 554966571 /nfs/dbraw/zinc/96/65/71/554966571.db2.gz MESFOXYNDGTVDM-JVJOXMINSA-N 0 0 540.641 6.343 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102560001 554967609 /nfs/dbraw/zinc/96/76/09/554967609.db2.gz IHLZJUIYRSSNBV-FPRSLYQBSA-N 0 0 570.667 6.434 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560896 554968084 /nfs/dbraw/zinc/96/80/84/554968084.db2.gz UKMTYTQTZZFOPU-ZHHPLPSFSA-N 0 0 518.978 5.656 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102562921 554968823 /nfs/dbraw/zinc/96/88/23/554968823.db2.gz HIHZUBYQRGJXSN-NPAJZZOTSA-N 0 0 570.667 6.490 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568923 554970031 /nfs/dbraw/zinc/97/00/31/554970031.db2.gz GYPXYUOVEMRLPW-GMBUILNLSA-N 0 0 516.550 5.394 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102595806 554976785 /nfs/dbraw/zinc/97/67/85/554976785.db2.gz OJFZJHHMGLAHFC-SZYGQJGOSA-N 0 0 547.780 8.907 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102595801 554976887 /nfs/dbraw/zinc/97/68/87/554976887.db2.gz OJFZJHHMGLAHFC-KFLIVHAJSA-N 0 0 547.780 8.907 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606101 554978858 /nfs/dbraw/zinc/97/88/58/554978858.db2.gz USXVVIXRXQXFSV-PUAOIOHZSA-N 0 0 549.649 5.530 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606153 554978961 /nfs/dbraw/zinc/97/89/61/554978961.db2.gz LXCINZNOEVGMHD-QUGAMOGWSA-N 0 0 563.676 5.921 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102622248 554987454 /nfs/dbraw/zinc/98/74/54/554987454.db2.gz WPZQWTYEYPJIMH-QHCPKHFHSA-N 0 0 548.617 5.293 50 30 KKEARN O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000102643981 554991465 /nfs/dbraw/zinc/99/14/65/554991465.db2.gz JTICELOMYHOGMT-AREMUKBSSA-N 0 0 530.536 5.030 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102644701 554991693 /nfs/dbraw/zinc/99/16/93/554991693.db2.gz POSVLZQYGIGQFD-ZHJYXLETSA-N 0 0 511.618 5.853 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000102646121 554992410 /nfs/dbraw/zinc/99/24/10/554992410.db2.gz BFTOXOJLTSAYOJ-TVXPFAQOSA-N 0 0 503.551 5.022 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102646568 554992703 /nfs/dbraw/zinc/99/27/03/554992703.db2.gz UGEXIGFWZBLFFB-LOOKCOSASA-N 0 0 513.590 5.082 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102649056 554994509 /nfs/dbraw/zinc/99/45/09/554994509.db2.gz RUOPKXJHGLHQRE-RWMNMRIUSA-N 0 0 541.644 6.065 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102648808 554994602 /nfs/dbraw/zinc/99/46/02/554994602.db2.gz YFPJOWOUSOIXAS-QOISPNJLSA-N 0 0 549.627 5.298 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102648805 554994613 /nfs/dbraw/zinc/99/46/13/554994613.db2.gz YFPJOWOUSOIXAS-TVKWNQJWSA-N 0 0 549.627 5.298 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102650849 554995555 /nfs/dbraw/zinc/99/55/55/554995555.db2.gz GNNFARCFDRFMIP-NIOKHIIOSA-N 0 0 575.484 6.625 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102651699 554996278 /nfs/dbraw/zinc/99/62/78/554996278.db2.gz QMJJHSVWTXLMMS-BBHOXHGRSA-N 0 0 517.006 6.208 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102652894 554996793 /nfs/dbraw/zinc/99/67/93/554996793.db2.gz IDKQRYIGJSPLJL-ICQXDZJJSA-N 0 0 556.659 5.995 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102653481 554997134 /nfs/dbraw/zinc/99/71/34/554997134.db2.gz DWCMJODTUSFBCY-QMNXYOJKSA-N 0 0 574.658 7.347 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102653897 554997401 /nfs/dbraw/zinc/99/74/01/554997401.db2.gz MHBNDLVOLHEHES-HIAXOSCDSA-N 0 0 540.641 6.262 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654407 554997638 /nfs/dbraw/zinc/99/76/38/554997638.db2.gz VRLDWSOIKRNOGX-NEMSTITPSA-N 0 0 576.671 5.757 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102654790 554998085 /nfs/dbraw/zinc/99/80/85/554998085.db2.gz OTCXKTNBYVXJDY-WRPQUVRJSA-N 0 0 561.457 6.317 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655031 554998093 /nfs/dbraw/zinc/99/80/93/554998093.db2.gz PCDGDWLUGBWKLS-OFNYXUPYSA-N 0 0 575.086 7.078 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102655861 554998647 /nfs/dbraw/zinc/99/86/47/554998647.db2.gz MVMSKDYEQDGIJJ-SMOAUKQDSA-N 0 0 604.684 7.437 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102655963 554998737 /nfs/dbraw/zinc/99/87/37/554998737.db2.gz KUWBIPVPBQHEKA-OGHRCCBNSA-N 0 0 512.587 5.563 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102656199 554999092 /nfs/dbraw/zinc/99/90/92/554999092.db2.gz WKVNYRAWKOVRQD-QOISPNJLSA-N 0 0 549.627 5.298 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661409 555000474 /nfs/dbraw/zinc/00/04/74/555000474.db2.gz IQGNABCAQPINJZ-NPJIAGGLSA-N 0 0 544.585 5.101 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C\c2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1 ZINC000102666806 555001711 /nfs/dbraw/zinc/00/17/11/555001711.db2.gz NRLNTZRXBSHLBE-IYMSGGPZSA-N 0 0 558.446 5.608 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673596 555003237 /nfs/dbraw/zinc/00/32/37/555003237.db2.gz JSPULEZSPRKWOB-XKNZNLGKSA-N 0 0 572.658 6.954 50 30 KKEARN COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)\N(c3ccccc3)C(=S)N\2c2ccc(OC)cc2)cc1 ZINC000102678602 555004700 /nfs/dbraw/zinc/00/47/00/555004700.db2.gz VRAPIPWTLGNSLM-LQEKTIAZSA-N 0 0 522.630 6.784 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678845 555004729 /nfs/dbraw/zinc/00/47/29/555004729.db2.gz SJBARLIUXUSWCH-YZUJGMDRSA-N 0 0 616.711 7.209 50 30 KKEARN CCCCCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 ZINC000102681887 555006092 /nfs/dbraw/zinc/00/60/92/555006092.db2.gz TURCIZIYGOVBNP-PQHLKRTFSA-N 0 0 505.058 7.940 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102690319 555008019 /nfs/dbraw/zinc/00/80/19/555008019.db2.gz XNRNCESFGFCBIM-SBXHHDGASA-N 0 0 535.021 6.156 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102690300 555008053 /nfs/dbraw/zinc/00/80/53/555008053.db2.gz AYWAYEIYJLTOOK-SBXHHDGASA-N 0 0 518.566 5.641 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102691533 555008669 /nfs/dbraw/zinc/00/86/69/555008669.db2.gz VVXSKCZHYOYEPH-NPJIAGGLSA-N 0 0 530.602 5.565 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102694419 555009450 /nfs/dbraw/zinc/00/94/50/555009450.db2.gz UAYCAVUOIRUNOW-BUANBSPESA-N 0 0 549.446 6.311 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102696865 555011247 /nfs/dbraw/zinc/01/12/47/555011247.db2.gz KQSYXPRPNDZGRI-SBXHHDGASA-N 0 0 530.602 5.511 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102698490 555012075 /nfs/dbraw/zinc/01/20/75/555012075.db2.gz CLJCKWKZFDTLNH-MOBKVPTQSA-N 0 0 536.631 5.572 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102698257 555012169 /nfs/dbraw/zinc/01/21/69/555012169.db2.gz KEJYOAKKHMJGBW-TXTDGAROSA-N 0 0 537.568 5.576 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000102697761 555012218 /nfs/dbraw/zinc/01/22/18/555012218.db2.gz XMQXEXSBEUKPJJ-DFXXOVSGSA-N 0 0 531.605 5.137 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102698863 555012403 /nfs/dbraw/zinc/01/24/03/555012403.db2.gz OTCVZTDYBABZES-UVDRRRQGSA-N 0 0 502.567 5.996 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102700380 555012913 /nfs/dbraw/zinc/01/29/13/555012913.db2.gz WOXQNVTWRNNEAT-WGGXKBPPSA-N 0 0 527.617 5.597 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCOC)cc1OC ZINC000102706188 555014566 /nfs/dbraw/zinc/01/45/66/555014566.db2.gz COAJRSQLBRYHFG-DFXXOVSGSA-N 0 0 531.605 5.049 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102705874 555014667 /nfs/dbraw/zinc/01/46/67/555014667.db2.gz AQYBSVUVKJMOFN-BUANBSPESA-N 0 0 504.995 6.201 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102706830 555015116 /nfs/dbraw/zinc/01/51/16/555015116.db2.gz RFISJCASUGDWAH-WGGXKBPPSA-N 0 0 548.595 5.378 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000102707355 555015375 /nfs/dbraw/zinc/01/53/75/555015375.db2.gz HNRTZZDQBWGGKR-TXTDGAROSA-N 0 0 508.549 5.730 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102711404 555016672 /nfs/dbraw/zinc/01/66/72/555016672.db2.gz IATIELKGORBCNB-NXLSWJSLSA-N 0 0 530.602 5.511 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102711727 555016715 /nfs/dbraw/zinc/01/67/15/555016715.db2.gz YIPYHMUQTPHCSU-ZORLYMSLSA-N 0 0 549.671 6.406 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102711543 555016843 /nfs/dbraw/zinc/01/68/43/555016843.db2.gz YMGNVJSESVDBSH-AYWGPLOBSA-N 0 0 504.995 6.147 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102713133 555017722 /nfs/dbraw/zinc/01/77/22/555017722.db2.gz BTWRAVPBHDCFDL-NXLSWJSLSA-N 0 0 516.575 5.344 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102715838 555018497 /nfs/dbraw/zinc/01/84/97/555018497.db2.gz SLFIHCVMNHBONO-TXTDGAROSA-N 0 0 530.621 5.598 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102717038 555018787 /nfs/dbraw/zinc/01/87/87/555018787.db2.gz HWVVRWIGGCZILD-DFXXOVSGSA-N 0 0 515.606 5.431 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102716710 555018923 /nfs/dbraw/zinc/01/89/23/555018923.db2.gz DBRNEIWDCVIHGJ-CJJGVWJISA-N 0 0 510.659 7.091 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102718708 555019359 /nfs/dbraw/zinc/01/93/59/555019359.db2.gz CTEAHIFFHSMEHT-MIOXIQPJSA-N 0 0 537.616 5.291 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102719706 555019967 /nfs/dbraw/zinc/01/99/67/555019967.db2.gz CCZFDQRJWMZETB-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000102720895 555020278 /nfs/dbraw/zinc/02/02/78/555020278.db2.gz JNHHNWMXPPRBLU-ZZIWUOEGSA-N 0 0 516.575 5.262 50 30 KKEARN C=CC[C@@H](C(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCC(OCC)OCC)c1ccccc1 ZINC000102726805 555022039 /nfs/dbraw/zinc/02/20/39/555022039.db2.gz PUEYPILZMVVYRT-OAQYLSRUSA-N 0 0 536.719 6.422 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102729340 555022948 /nfs/dbraw/zinc/02/29/48/555022948.db2.gz DRBWPFLLBIOTOK-NXLSWJSLSA-N 0 0 500.576 5.502 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102729873 555023280 /nfs/dbraw/zinc/02/32/80/555023280.db2.gz AILIRENZOJUVFP-CZNAVJSXSA-N 0 0 505.998 5.686 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102729705 555023317 /nfs/dbraw/zinc/02/33/17/555023317.db2.gz VTSKNSAHRVDSIH-MIOXIQPJSA-N 0 0 523.585 6.188 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102731949 555023753 /nfs/dbraw/zinc/02/37/53/555023753.db2.gz XRTKZKRGLYWNIM-VEZPTTSMSA-N 0 0 540.660 5.026 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102731528 555023786 /nfs/dbraw/zinc/02/37/86/555023786.db2.gz MUCUFUAOZOGQCW-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102732837 555024026 /nfs/dbraw/zinc/02/40/26/555024026.db2.gz SUSWHVQFGOLFJY-WGGXKBPPSA-N 0 0 521.617 5.591 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102732642 555024099 /nfs/dbraw/zinc/02/40/99/555024099.db2.gz ZFWYMDAVBKPKCH-IUKMQXEJSA-N 0 0 531.077 7.436 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102735049 555024948 /nfs/dbraw/zinc/02/49/48/555024948.db2.gz JRBLFYQWHACUAD-NPJIAGGLSA-N 0 0 546.601 5.265 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735216 555025000 /nfs/dbraw/zinc/02/50/00/555025000.db2.gz RSPJHUBADATCRH-PLQDCEFPSA-N 0 0 545.635 6.253 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735323 555025279 /nfs/dbraw/zinc/02/52/79/555025279.db2.gz KJZXUQOPYIAIMO-ICQXDZJJSA-N 0 0 517.581 6.424 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735446 555025434 /nfs/dbraw/zinc/02/54/34/555025434.db2.gz FRAWSLHRNZFFGO-HALAOQOWSA-N 0 0 516.619 5.727 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102735403 555025517 /nfs/dbraw/zinc/02/55/17/555025517.db2.gz DLKIJDVGDQENEI-QMMFTLRZSA-N 0 0 534.612 5.990 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735600 555025834 /nfs/dbraw/zinc/02/58/34/555025834.db2.gz WOTDXPVZNGCLAU-NIOKHIIOSA-N 0 0 514.578 6.002 50 30 KKEARN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735530 555025880 /nfs/dbraw/zinc/02/58/80/555025880.db2.gz QXCQUOWGXDSOLV-XKNZNLGKSA-N 0 0 580.662 6.183 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770779 555058251 /nfs/dbraw/zinc/05/82/51/555058251.db2.gz VWGJZVDOQGCMJA-OGHRCCBNSA-N 0 0 508.401 5.981 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770926 555058512 /nfs/dbraw/zinc/05/85/12/555058512.db2.gz RLIBNWNQZBNIAR-RFAFYKRUSA-N 0 0 545.060 7.023 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770941 555058533 /nfs/dbraw/zinc/05/85/33/555058533.db2.gz QWAFOVOHNLWIFG-RFAFYKRUSA-N 0 0 528.605 6.509 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102770999 555058934 /nfs/dbraw/zinc/05/89/34/555058934.db2.gz SDQVOKRJKRZQHH-DDLGZMGRSA-N 0 0 538.669 6.986 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770945 555059060 /nfs/dbraw/zinc/05/90/60/555059060.db2.gz QWAFOVOHNLWIFG-UJWLLDLUSA-N 0 0 528.605 6.509 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770978 555059102 /nfs/dbraw/zinc/05/91/02/555059102.db2.gz RXJGTPYEQMADRS-FZIYRNTBSA-N 0 0 618.180 7.557 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102771100 555059425 /nfs/dbraw/zinc/05/94/25/555059425.db2.gz NEUPCNMNHRUGAP-WRPQUVRJSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102771092 555059498 /nfs/dbraw/zinc/05/94/98/555059498.db2.gz NEUPCNMNHRUGAP-HALAOQOWSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771124 555059652 /nfs/dbraw/zinc/05/96/52/555059652.db2.gz IGSAGWVPIMZPNS-RKQXULEVSA-N 0 0 514.578 6.002 50 30 KKEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1ccc(Br)cc1 ZINC000102771291 555059975 /nfs/dbraw/zinc/05/99/75/555059975.db2.gz SXLKKNQEXLJICU-SFTDATJTSA-N 0 0 581.642 6.967 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(CC)cccc1CC)C[C@@](C)(c1cccnc1)O2 ZINC000102783214 555066646 /nfs/dbraw/zinc/06/66/46/555066646.db2.gz KHSXQCUEINRRTQ-IAKITFSSSA-N 0 0 546.693 5.537 50 30 KKEARN C=CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 ZINC000102790327 555068963 /nfs/dbraw/zinc/06/89/63/555068963.db2.gz DYIBOCZBSARDDP-IAPPQJPRSA-N 0 0 519.439 7.043 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102798391 555072067 /nfs/dbraw/zinc/07/20/67/555072067.db2.gz PCTSJWPFDBWXDI-HOGKFDNTSA-N 0 0 504.608 5.686 50 30 KKEARN N#C[C@@]12CN(c3ccc(Cl)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Cl)cc4)CN3C1=S)C21CCCCC1 ZINC000102809436 555074232 /nfs/dbraw/zinc/07/42/32/555074232.db2.gz VUJBGKTVMNWIDH-RRPNLBNLSA-N 0 0 549.531 6.261 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(Cl)cc3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812746 555075330 /nfs/dbraw/zinc/07/53/30/555075330.db2.gz IEFWBZOGNZQLAX-UHFFFAOYSA-N 0 0 557.075 6.964 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2C ZINC000102833903 555079530 /nfs/dbraw/zinc/07/95/30/555079530.db2.gz VKRBJIKHEWHXMH-RJSONGRPSA-N 0 0 562.666 6.045 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102856713 555087980 /nfs/dbraw/zinc/08/79/80/555087980.db2.gz ICXZTOIBTFWRDX-NPJIAGGLSA-N 0 0 530.602 5.729 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102858033 555089149 /nfs/dbraw/zinc/08/91/49/555089149.db2.gz GBMHPYSFRVMDOW-QKJBWNOYSA-N 0 0 514.603 5.865 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102859094 555089363 /nfs/dbraw/zinc/08/93/63/555089363.db2.gz PHFJMSAJOWHHNS-GSYBUTJLSA-N 0 0 541.644 5.862 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102859928 555090354 /nfs/dbraw/zinc/09/03/54/555090354.db2.gz CCSGCFYOESSVRS-CZNAVJSXSA-N 0 0 512.631 6.753 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102860433 555090626 /nfs/dbraw/zinc/09/06/26/555090626.db2.gz VVQKUKUPJKCYDM-TXTDGAROSA-N 0 0 577.519 6.100 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860727 555090862 /nfs/dbraw/zinc/09/08/62/555090862.db2.gz BJQQYRAVGSJASN-HOGKFDNTSA-N 0 0 534.634 5.479 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102861974 555091909 /nfs/dbraw/zinc/09/19/09/555091909.db2.gz YTLSWLZBJLERHI-ZORLYMSLSA-N 0 0 612.649 9.361 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102861624 555091972 /nfs/dbraw/zinc/09/19/72/555091972.db2.gz UAONMEGJPFSVNO-IUKMQXEJSA-N 0 0 514.603 6.028 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102863097 555092986 /nfs/dbraw/zinc/09/29/86/555092986.db2.gz DLPBMFRBDNRLRB-AYWGPLOBSA-N 0 0 504.539 5.387 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102863919 555093551 /nfs/dbraw/zinc/09/35/51/555093551.db2.gz QIOPTIXIOAJOMV-ZZIWUOEGSA-N 0 0 535.021 6.210 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866852 555095974 /nfs/dbraw/zinc/09/59/74/555095974.db2.gz JFNDIMOFRWZJEN-JRPVAJNPSA-N 0 0 528.586 5.269 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867938 555097276 /nfs/dbraw/zinc/09/72/76/555097276.db2.gz BMCBXGUSHIPPNX-CKXNDDTFSA-N 0 0 591.085 6.697 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867953 555097317 /nfs/dbraw/zinc/09/73/17/555097317.db2.gz FQJIQSAXMSOJLR-FSISNWKMSA-N 0 0 533.005 5.908 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869027 555098216 /nfs/dbraw/zinc/09/82/16/555098216.db2.gz XLAUWZKVJTVGLL-FSDXSRJSSA-N 0 0 512.587 5.563 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869020 555098279 /nfs/dbraw/zinc/09/82/79/555098279.db2.gz VUGMDOQBIHBHKQ-XKNZNLGKSA-N 0 0 570.667 6.434 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869148 555098644 /nfs/dbraw/zinc/09/86/44/555098644.db2.gz PWOVAFUHCJHMPF-JRPVAJNPSA-N 0 0 514.578 5.948 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000102869632 555099152 /nfs/dbraw/zinc/09/91/52/555099152.db2.gz JNJNJUAKQDAUNX-QMMFTLRZSA-N 0 0 567.594 5.650 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870152 555100135 /nfs/dbraw/zinc/10/01/35/555100135.db2.gz GWFONCWXCNHDAU-XXAHXYPMSA-N 0 0 628.747 7.222 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102870290 555100357 /nfs/dbraw/zinc/10/03/57/555100357.db2.gz GXZCNOGQNJOKQX-TXTDGAROSA-N 0 0 552.587 5.191 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000102870190 555100367 /nfs/dbraw/zinc/10/03/67/555100367.db2.gz VQQXHWFNPXKHCX-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000102870456 555100685 /nfs/dbraw/zinc/10/06/85/555100685.db2.gz SXEFZNGVYUCMMG-CZNAVJSXSA-N 0 0 558.612 5.491 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102871056 555101417 /nfs/dbraw/zinc/10/14/17/555101417.db2.gz NOHHXQCBCCYKQX-NPJIAGGLSA-N 0 0 574.611 5.028 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871310 555101938 /nfs/dbraw/zinc/10/19/38/555101938.db2.gz XJOPMKQSRQCJPX-SOIUSXPSSA-N 0 0 562.644 5.367 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102872478 555102855 /nfs/dbraw/zinc/10/28/55/555102855.db2.gz MJQBHICZVIBMRH-HFEWCJDKSA-N 0 0 520.563 5.158 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102872512 555103239 /nfs/dbraw/zinc/10/32/39/555103239.db2.gz RYNNIQKWYFHBBY-VTVSLZSGSA-N 0 0 511.618 5.853 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102873054 555103529 /nfs/dbraw/zinc/10/35/29/555103529.db2.gz SSMQKPMZKUEBPU-FFMCZVIESA-N 0 0 555.671 6.252 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102873056 555103564 /nfs/dbraw/zinc/10/35/64/555103564.db2.gz SSMQKPMZKUEBPU-GYBOJBDRSA-N 0 0 555.671 6.252 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873755 555104039 /nfs/dbraw/zinc/10/40/39/555104039.db2.gz KIJXHKHFUJHGOR-AYWGPLOBSA-N 0 0 502.592 6.212 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102876948 555106737 /nfs/dbraw/zinc/10/67/37/555106737.db2.gz VCWZVLRDNOZCDF-TXTDGAROSA-N 0 0 525.004 6.244 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102877481 555107026 /nfs/dbraw/zinc/10/70/26/555107026.db2.gz WGMBQHBFLJNBNP-PGVNHDJNSA-N 0 0 506.605 5.618 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000102878434 555107812 /nfs/dbraw/zinc/10/78/12/555107812.db2.gz NKFRFGKZRSDGOP-RUZDIDTESA-N 0 0 566.078 8.552 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C ZINC000102880217 555109308 /nfs/dbraw/zinc/10/93/08/555109308.db2.gz VDAIJGSCNPEUPZ-GYBOJBDRSA-N 0 0 555.671 6.456 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102880573 555109313 /nfs/dbraw/zinc/10/93/13/555109313.db2.gz ZTKDYPKZXVINFX-YJMWBXFMSA-N 0 0 511.618 6.201 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102880580 555109355 /nfs/dbraw/zinc/10/93/55/555109355.db2.gz ZTKDYPKZXVINFX-VTVSLZSGSA-N 0 0 511.618 6.201 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102882010 555110486 /nfs/dbraw/zinc/11/04/86/555110486.db2.gz OFTCAISJJCNFPM-ZZIWUOEGSA-N 0 0 500.576 5.557 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1 ZINC000102883427 555111687 /nfs/dbraw/zinc/11/16/87/555111687.db2.gz LVJCTDZENIUTMC-UVDRRRQGSA-N 0 0 502.567 6.077 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102883992 555112605 /nfs/dbraw/zinc/11/26/05/555112605.db2.gz XSMITCPEGHSZMY-NPJIAGGLSA-N 0 0 532.593 6.168 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102883995 555112623 /nfs/dbraw/zinc/11/26/23/555112623.db2.gz XSMITCPEGHSZMY-IUKMQXEJSA-N 0 0 532.593 6.168 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884238 555112821 /nfs/dbraw/zinc/11/28/21/555112821.db2.gz AADVPSXFZKGIRT-QMWVLESOSA-N 0 0 618.711 7.142 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884629 555113770 /nfs/dbraw/zinc/11/37/70/555113770.db2.gz DBHLQGAQTNWJOV-FZIYRNTBSA-N 0 0 620.724 6.011 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102885132 555115115 /nfs/dbraw/zinc/11/51/15/555115115.db2.gz DYTNIDYBARGFRX-DZTJFIFISA-N 0 0 528.605 5.214 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102885601 555115687 /nfs/dbraw/zinc/11/56/87/555115687.db2.gz VEVBPCRYYSRXRY-ONQGDUAMSA-N 0 0 514.578 5.044 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000102886872 555117498 /nfs/dbraw/zinc/11/74/98/555117498.db2.gz PBOZSRGWMZECMC-AUNXFTLJSA-N 0 0 588.877 9.744 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000102886868 555117593 /nfs/dbraw/zinc/11/75/93/555117593.db2.gz PBOZSRGWMZECMC-YQYJTONYSA-N 0 0 588.877 9.744 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887330 555118857 /nfs/dbraw/zinc/11/88/57/555118857.db2.gz XFDOTNDIYJSVSS-QNIVJUIWSA-N 0 0 592.670 5.375 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887511 555119562 /nfs/dbraw/zinc/11/95/62/555119562.db2.gz VUNABNJTMVLUIN-QBTYMPIYSA-N 0 0 540.641 6.207 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887722 555119832 /nfs/dbraw/zinc/11/98/32/555119832.db2.gz OSUROUUHUGWTRO-KXDYMIPJSA-N 0 0 602.709 6.313 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102888027 555120451 /nfs/dbraw/zinc/12/04/51/555120451.db2.gz CFTBKIBHYFLMNQ-ZORLYMSLSA-N 0 0 594.749 8.212 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102887878 555120555 /nfs/dbraw/zinc/12/05/55/555120555.db2.gz UQSZEEPMENAARQ-ZORLYMSLSA-N 0 0 552.199 9.551 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102888598 555121777 /nfs/dbraw/zinc/12/17/77/555121777.db2.gz XXBOMZGHXUHKKE-MIOXIQPJSA-N 0 0 600.693 6.517 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888684 555122074 /nfs/dbraw/zinc/12/20/74/555122074.db2.gz WRHWXEJMMNPUDF-PEHBIRLUSA-N 0 0 588.638 5.280 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3F)sc2c1 ZINC000102888719 555122228 /nfs/dbraw/zinc/12/22/28/555122228.db2.gz YXWXHEFLFVVDTP-ZHHPLPSFSA-N 0 0 504.539 5.387 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888809 555122412 /nfs/dbraw/zinc/12/24/12/555122412.db2.gz FQSRWDGIOJOJIR-NBXYUPGTSA-N 0 0 612.748 7.378 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888814 555122545 /nfs/dbraw/zinc/12/25/45/555122545.db2.gz FQSRWDGIOJOJIR-JNYBUSFRSA-N 0 0 612.748 7.378 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102889097 555122824 /nfs/dbraw/zinc/12/28/24/555122824.db2.gz WSIFCGXNJGATII-AHPONGEQSA-N 0 0 568.198 9.252 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889274 555123194 /nfs/dbraw/zinc/12/31/94/555123194.db2.gz MHUWGQHKFKZRAO-FWOIGAHVSA-N 0 0 563.031 6.004 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889275 555123453 /nfs/dbraw/zinc/12/34/53/555123453.db2.gz MHUWGQHKFKZRAO-JBODOUGHSA-N 0 0 563.031 6.004 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889601 555123830 /nfs/dbraw/zinc/12/38/30/555123830.db2.gz YSCCBJNWBAECHX-RXDXAXPSSA-N 0 0 558.656 6.264 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102889752 555124316 /nfs/dbraw/zinc/12/43/16/555124316.db2.gz DDENSBPNMAWEEO-SBXHHDGASA-N 0 0 548.661 6.050 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890125 555125074 /nfs/dbraw/zinc/12/50/74/555125074.db2.gz WVUJLQSISKMJIO-FPRSLYQBSA-N 0 0 568.695 6.942 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890257 555125308 /nfs/dbraw/zinc/12/53/08/555125308.db2.gz LMFXTJDJEBKINU-QMDVFYPZSA-N 0 0 584.694 6.680 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890468 555125531 /nfs/dbraw/zinc/12/55/31/555125531.db2.gz UKKOBJPOODBOAY-VDGASQMCSA-N 0 0 633.166 7.867 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102890750 555126170 /nfs/dbraw/zinc/12/61/70/555126170.db2.gz HJFFRXVZMISPBU-ZORLYMSLSA-N 0 0 562.751 8.806 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102890747 555126220 /nfs/dbraw/zinc/12/62/20/555126220.db2.gz HJFFRXVZMISPBU-AHPONGEQSA-N 0 0 562.751 8.806 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891537 555127374 /nfs/dbraw/zinc/12/73/74/555127374.db2.gz PMPDUNJRHKAXAB-TUKIDQFVSA-N 0 0 556.640 5.880 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102891860 555127716 /nfs/dbraw/zinc/12/77/16/555127716.db2.gz UYNJVDRGGPUPDQ-ONQGDUAMSA-N 0 0 524.642 6.780 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893114 555129941 /nfs/dbraw/zinc/12/99/41/555129941.db2.gz WNAFSJGAXLMZIV-BFLOGMOSSA-N 0 0 590.698 6.147 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893207 555130250 /nfs/dbraw/zinc/13/02/50/555130250.db2.gz HJVCROFSPPPJOS-XMMCBNBESA-N 0 0 582.722 7.432 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893205 555130261 /nfs/dbraw/zinc/13/02/61/555130261.db2.gz HJVCROFSPPPJOS-STYUONPNSA-N 0 0 582.722 7.432 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893176 555130277 /nfs/dbraw/zinc/13/02/77/555130277.db2.gz LPJCGBSAWPYSKM-WREUJOMVSA-N 0 0 618.711 7.224 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102893487 555131087 /nfs/dbraw/zinc/13/10/87/555131087.db2.gz XRBQOEPPYRKIIV-QOISPNJLSA-N 0 0 573.690 5.686 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102894048 555132005 /nfs/dbraw/zinc/13/20/05/555132005.db2.gz OOJUSOSFNQABBB-AHPONGEQSA-N 0 0 578.750 8.506 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894274 555132282 /nfs/dbraw/zinc/13/22/82/555132282.db2.gz ZAAPLIVPEWJEMQ-OFNYXUPYSA-N 0 0 540.641 6.378 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894449 555132616 /nfs/dbraw/zinc/13/26/16/555132616.db2.gz QOOPQULXEIRCJI-JOMJOIQHSA-N 0 0 605.112 7.087 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C ZINC000102894647 555132949 /nfs/dbraw/zinc/13/29/49/555132949.db2.gz LVVGOLOAXJKLCG-DFXXOVSGSA-N 0 0 547.604 5.496 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nccs2)c1 ZINC000102894911 555133177 /nfs/dbraw/zinc/13/31/77/555133177.db2.gz UJRAYRJYRSHTPD-NPJIAGGLSA-N 0 0 512.587 5.665 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102894881 555133201 /nfs/dbraw/zinc/13/32/01/555133201.db2.gz REGYEVKXZRNNSI-TXTDGAROSA-N 0 0 523.541 5.252 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894810 555133234 /nfs/dbraw/zinc/13/32/34/555133234.db2.gz FUMLLSFZGQGDBO-KODPQLEOSA-N 0 0 612.748 7.440 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895574 555134736 /nfs/dbraw/zinc/13/47/36/555134736.db2.gz HCJFTVHQOUHVGT-VEZPTTSMSA-N 0 0 614.720 6.970 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102895874 555135201 /nfs/dbraw/zinc/13/52/01/555135201.db2.gz NOPDVBNUHHAJPZ-CJJGVWJISA-N 0 0 560.628 5.656 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(CC3CCCCC3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102895828 555135233 /nfs/dbraw/zinc/13/52/33/555135233.db2.gz HOXMTZNFTJDWBZ-GDLZYMKVSA-N 0 0 574.596 5.323 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000102896557 555136502 /nfs/dbraw/zinc/13/65/02/555136502.db2.gz NFRFIHANKJLNQM-FFMCZVIESA-N 0 0 579.653 5.306 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896935 555137213 /nfs/dbraw/zinc/13/72/13/555137213.db2.gz XREWHHYBQWEBBW-CGKJMNDRSA-N 0 0 562.644 5.401 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896937 555137255 /nfs/dbraw/zinc/13/72/55/555137255.db2.gz XREWHHYBQWEBBW-HAQIDCBSSA-N 0 0 562.644 5.401 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896939 555137324 /nfs/dbraw/zinc/13/73/24/555137324.db2.gz XREWHHYBQWEBBW-JFTLGNCFSA-N 0 0 562.644 5.401 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899242 555138728 /nfs/dbraw/zinc/13/87/28/555138728.db2.gz UPJWISLMVMGYCZ-FPRSLYQBSA-N 0 0 604.725 6.427 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899244 555138880 /nfs/dbraw/zinc/13/88/80/555138880.db2.gz UPJWISLMVMGYCZ-WKUSSTJHSA-N 0 0 604.725 6.427 50 30 KKEARN N#Cc1c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC=CC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102924707 555148958 /nfs/dbraw/zinc/14/89/58/555148958.db2.gz SULARUBCRYWVLZ-YFDWJFFGSA-N 0 0 587.554 5.813 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102925826 555150161 /nfs/dbraw/zinc/15/01/61/555150161.db2.gz RCUKABCHTKFLLA-HOGKFDNTSA-N 0 0 520.607 5.305 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCOC)cc1OCC ZINC000102926581 555151156 /nfs/dbraw/zinc/15/11/56/555151156.db2.gz SWLUDBSUGORAAX-NGAXIMOQSA-N 0 0 523.626 5.046 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102927227 555151998 /nfs/dbraw/zinc/15/19/98/555151998.db2.gz DBHZNSJCBXWOQA-UUALVTFQSA-N 0 0 500.595 5.445 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102927890 555152613 /nfs/dbraw/zinc/15/26/13/555152613.db2.gz BOIKGVJRGJBUJZ-NXLSWJSLSA-N 0 0 516.575 5.339 50 30 KKEARN O=C(CSc1ccc([S@@](=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000102927809 555152668 /nfs/dbraw/zinc/15/26/68/555152668.db2.gz CPRZPICOKUYGJD-BHVANESWSA-N 0 0 572.402 6.242 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102928089 555153204 /nfs/dbraw/zinc/15/32/04/555153204.db2.gz HRKGLTHAFCILPP-UUALVTFQSA-N 0 0 546.620 5.073 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102928221 555153416 /nfs/dbraw/zinc/15/34/16/555153416.db2.gz NHUQKLDPJFSITO-DHJMZRGKSA-N 0 0 512.631 6.671 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102928280 555153556 /nfs/dbraw/zinc/15/35/56/555153556.db2.gz HFBCMSJVHIMULC-QKJBWNOYSA-N 0 0 514.622 6.976 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102928584 555154207 /nfs/dbraw/zinc/15/42/07/555154207.db2.gz WAPPVURPGKXBEW-NXLSWJSLSA-N 0 0 518.566 5.777 50 30 KKEARN C=CCn1c(-c2c(N)c(C(=O)c3ccc(F)cc3)sc2Nc2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000102929394 555155038 /nfs/dbraw/zinc/15/50/38/555155038.db2.gz UQEXKKVVGHMEND-UHFFFAOYSA-N 0 0 539.036 5.379 50 30 KKEARN N#Cc1ccccc1NC(=O)c1sc(NCc2ccccc2)c(C(=O)Nc2cc(Cl)ccc2Cl)c1N ZINC000102930214 555156799 /nfs/dbraw/zinc/15/67/99/555156799.db2.gz ZTVSFEMMRBMDEO-QHCPKHFHSA-N 0 0 536.444 5.579 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102930872 555158052 /nfs/dbraw/zinc/15/80/52/555158052.db2.gz JJQOQZFKTSROIS-IAMBOQNYSA-N 0 0 506.605 5.618 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102930874 555158091 /nfs/dbraw/zinc/15/80/91/555158091.db2.gz JJQOQZFKTSROIS-HFEWCJDKSA-N 0 0 506.605 5.618 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102932298 555159716 /nfs/dbraw/zinc/15/97/16/555159716.db2.gz GDVDRSQIIFUXEG-CJJGVWJISA-N 0 0 526.658 6.927 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102932516 555159934 /nfs/dbraw/zinc/15/99/34/555159934.db2.gz PIXXAZXRDKIKOQ-JLPDLQRYSA-N 0 0 523.626 5.046 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102932344 555160067 /nfs/dbraw/zinc/16/00/67/555160067.db2.gz HMULVJLCUYGMDF-KFLIVHAJSA-N 0 0 582.741 6.016 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000102932765 555160205 /nfs/dbraw/zinc/16/02/05/555160205.db2.gz JZHWIQPJUCXNDS-UVDRRRQGSA-N 0 0 500.620 6.738 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCC)c(OC)c2)c(C)c1 ZINC000102932715 555160261 /nfs/dbraw/zinc/16/02/61/555160261.db2.gz NQRAPIHWJVSSEH-TXTDGAROSA-N 0 0 530.621 5.598 50 30 KKEARN CCCCC(=O)C1=C(NCCCCCCNC2=C(C(=O)CCCC)C(=O)C[C@@H](c3ccccc3)C2)C[C@H](c2ccccc2)CC1=O ZINC000102935301 555162737 /nfs/dbraw/zinc/16/27/37/555162737.db2.gz WWVLPVCYBPUOOK-ACHIHNKUSA-N 0 0 624.866 8.046 50 30 KKEARN C=C1C(=NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)C(=C)C(Br)C(=O)C1Br ZINC000102939202 555167810 /nfs/dbraw/zinc/16/78/10/555167810.db2.gz WKMZCJBDHUYFDX-NJNXFGOHSA-N 0 0 536.245 5.184 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccccc1C(F)(F)F)(N1CCOCC1)N(C)C(c1ccc(F)cc1)=N2 ZINC000102940300 555168787 /nfs/dbraw/zinc/16/87/87/555168787.db2.gz TUXFUJGPUUZUGZ-LDLOPFEMSA-N 0 0 559.508 5.607 50 30 KKEARN O=C1c2ccccc2C(=CNc2cc(C(F)(F)F)ccc2C(F)(F)F)C(=O)N1c1ccccc1C(F)(F)F ZINC000102941821 555170089 /nfs/dbraw/zinc/17/00/89/555170089.db2.gz GHGQLWGREVLXFC-VBKFSLOCSA-N 0 0 544.373 7.383 50 30 KKEARN O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])CC/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000102944844 555171386 /nfs/dbraw/zinc/17/13/86/555171386.db2.gz KNTODSPKTQNBLZ-LQIBPGRFSA-N 0 0 607.918 6.978 50 30 KKEARN CCOP(=O)(OCC)C(C)(C)/N=C1\S[C@](c2ccc(OC)cc2)(C(F)(F)F)NC(=O)N1c1ccccc1 ZINC000102947449 555172209 /nfs/dbraw/zinc/17/22/09/555172209.db2.gz NFBTZLFSRLXSKJ-WEHFJGPMSA-N 0 0 559.547 6.732 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1Cl ZINC000102962818 555179188 /nfs/dbraw/zinc/17/91/88/555179188.db2.gz ZRXMXXRLWDQFJM-UHFFFAOYSA-N 0 0 594.429 5.087 50 30 KKEARN CC(C)c1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)cc1 ZINC000102973705 555183563 /nfs/dbraw/zinc/18/35/63/555183563.db2.gz DSTXDGUJEQIMQF-BIPGJRLFSA-N 0 0 576.634 5.332 50 30 KKEARN CC(=O)/C(=C\c1cc(C)n(-c2ccc(I)cc2)c1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000102989421 555192021 /nfs/dbraw/zinc/19/20/21/555192021.db2.gz AKMDYIGSAKIFLP-LPYMAVHISA-N 0 0 529.334 5.218 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)CC(C)C ZINC000102991218 555192418 /nfs/dbraw/zinc/19/24/18/555192418.db2.gz RDZYSVDEUKMDOK-UHFFFAOYSA-N 0 0 530.775 6.490 50 30 KKEARN CCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000102991355 555192496 /nfs/dbraw/zinc/19/24/96/555192496.db2.gz ZNFGKRXDWDEUMG-UHFFFAOYSA-N 0 0 531.738 5.246 50 30 KKEARN CCCCCCCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CC2CCCCC2)S(=O)(=O)CC)CC1 ZINC000102991936 555192730 /nfs/dbraw/zinc/19/27/30/555192730.db2.gz WZGFRTUAGNZEBJ-UHFFFAOYSA-N 0 0 591.859 5.607 50 30 KKEARN CCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000102995635 555195180 /nfs/dbraw/zinc/19/51/80/555195180.db2.gz SXHIUTWRIGEZBH-VWLOTQADSA-N 0 0 526.674 5.604 50 30 KKEARN CCCCCCCCCC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@H]1CCCO1 ZINC000102997785 555197136 /nfs/dbraw/zinc/19/71/36/555197136.db2.gz CYQUFCNLKFFHMK-RUZDIDTESA-N 0 0 516.151 7.407 50 30 KKEARN CCCCCCCCCC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@@H]1CCCO1 ZINC000102997783 555197220 /nfs/dbraw/zinc/19/72/20/555197220.db2.gz CYQUFCNLKFFHMK-VWLOTQADSA-N 0 0 516.151 7.407 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2cccc(OC)c2)s1 ZINC000102998185 555197439 /nfs/dbraw/zinc/19/74/39/555197439.db2.gz IYWFWCDGLSCCMV-XMMPIXPASA-N 0 0 508.688 6.020 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000102998132 555197454 /nfs/dbraw/zinc/19/74/54/555197454.db2.gz YJLDNFZDMZUNPL-HSZRJFAPSA-N 0 0 513.107 6.665 50 30 KKEARN CCCCCCCCCC(=O)Nc1ccc(-n2nc(OCCOCC)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000102998512 555197673 /nfs/dbraw/zinc/19/76/73/555197673.db2.gz APLWZABLUWNJAW-UHFFFAOYSA-N 0 0 522.646 6.158 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(COC(C)=O)o1 ZINC000102998998 555198431 /nfs/dbraw/zinc/19/84/31/555198431.db2.gz VATVLIWOTOHQNR-PMERELPUSA-N 0 0 508.659 6.838 50 30 KKEARN CCCCCCCCCCC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(COC(C)=O)o1 ZINC000102999002 555198505 /nfs/dbraw/zinc/19/85/05/555198505.db2.gz VATVLIWOTOHQNR-SSEXGKCCSA-N 0 0 508.659 6.838 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102999659 555199426 /nfs/dbraw/zinc/19/94/26/555199426.db2.gz PHVMKOULFJKBIW-SSEXGKCCSA-N 0 0 593.212 8.393 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCCN(c2nc(CCC(C)C)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102999880 555199784 /nfs/dbraw/zinc/19/97/84/555199784.db2.gz YJMVJNPTYBGBAI-UHFFFAOYSA-N 0 0 581.249 8.017 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C1CC1 ZINC000103000600 555200278 /nfs/dbraw/zinc/20/02/78/555200278.db2.gz PTMGEJZZNULXOV-UHFFFAOYSA-N 0 0 587.849 8.440 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000103000622 555200526 /nfs/dbraw/zinc/20/05/26/555200526.db2.gz HKVFVZDBBXQQTK-UHFFFAOYSA-N 0 0 540.745 7.477 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C(C)(C)C)cc3)co2)CC1 ZINC000103000760 555200791 /nfs/dbraw/zinc/20/07/91/555200791.db2.gz YUIMPDCFQZICNK-UHFFFAOYSA-N 0 0 566.827 7.862 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000103002830 555201858 /nfs/dbraw/zinc/20/18/58/555201858.db2.gz TXMAZWHALCGUEL-AHPONGEQSA-N 0 0 533.753 8.598 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103008659 555205231 /nfs/dbraw/zinc/20/52/31/555205231.db2.gz JJFWISUYQXZGBM-LGPLSSKUSA-N 0 0 605.613 5.628 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011465 555206203 /nfs/dbraw/zinc/20/62/03/555206203.db2.gz UWKGGXWZNIEROE-UKDVSSAZSA-N 0 0 553.677 5.259 50 30 KKEARN COC(=O)C1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000103017063 555210002 /nfs/dbraw/zinc/21/00/02/555210002.db2.gz ZUGRYEGIWRCDAW-CUHUQNRHSA-N 0 0 617.045 6.167 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000103022460 555213562 /nfs/dbraw/zinc/21/35/62/555213562.db2.gz MLPZCJOKPVCFRF-URAKLDTCSA-N 0 0 551.567 5.466 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C)c(Cl)c1)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103022991 555213842 /nfs/dbraw/zinc/21/38/42/555213842.db2.gz WQXHJCZDMFEWOQ-WENCSYSZSA-N 0 0 550.076 6.429 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@@H]2c1cccc(OC)c1 ZINC000103023002 555214200 /nfs/dbraw/zinc/21/42/00/555214200.db2.gz ZAJWTCVYOYMZJC-JVAFGIKQSA-N 0 0 569.601 6.486 50 30 KKEARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3/C(=N/Cc4ccccc4)SCC3(C)C)c2)cc1 ZINC000103026496 555216294 /nfs/dbraw/zinc/21/62/94/555216294.db2.gz FSJRAJDWTHHTFA-SGEDCAFJSA-N 0 0 523.680 5.044 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@H](SC(=NCC)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000103026460 555216358 /nfs/dbraw/zinc/21/63/58/555216358.db2.gz BAHUYOQKZKOYIA-QFIPXVFZSA-N 0 0 522.498 6.615 50 30 KKEARN N#Cc1ccc(CO[C@H](CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(N3CCCC3)c2)cc1 ZINC000103030432 555218705 /nfs/dbraw/zinc/21/87/05/555218705.db2.gz IXDKKKNOGTVPDK-WIHCDAFUSA-N 0 0 534.704 5.364 50 30 KKEARN C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nnc(SCC)s2)ccc1Cl ZINC000103050896 555233000 /nfs/dbraw/zinc/23/30/00/555233000.db2.gz QUTCNEVDFRQDJL-UHFFFAOYSA-N 0 0 529.496 5.591 50 30 KKEARN C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1ccc(CCCCC)cc1 ZINC000103060879 555241950 /nfs/dbraw/zinc/24/19/50/555241950.db2.gz FBLMJXLHRDIWCN-UHFFFAOYSA-N 0 0 548.749 6.398 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000103064311 555244906 /nfs/dbraw/zinc/24/49/06/555244906.db2.gz CNPAJHACQVSKQT-DJJJIMSYSA-N 0 0 524.952 5.768 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1 ZINC000103065631 555246094 /nfs/dbraw/zinc/24/60/94/555246094.db2.gz XSVBDCOARITESG-UHFFFAOYSA-N 0 0 575.838 8.297 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1S[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)CCCC3 ZINC000103069445 555250115 /nfs/dbraw/zinc/25/01/15/555250115.db2.gz UEDZEIYRESKWLU-QHCPKHFHSA-N 0 0 590.092 7.667 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000103070015 555250751 /nfs/dbraw/zinc/25/07/51/555250751.db2.gz NXIBUJKLYPIMGB-UHFFFAOYSA-N 0 0 526.728 5.527 50 30 KKEARN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1OC ZINC000103070661 555251313 /nfs/dbraw/zinc/25/13/13/555251313.db2.gz INJHCCJMOUITHA-BKUYFWCQSA-N 0 0 541.423 5.444 50 30 KKEARN CCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000103072310 555252088 /nfs/dbraw/zinc/25/20/88/555252088.db2.gz MZKIIMHJEJIPEF-UHFFFAOYSA-N 0 0 522.661 6.450 50 30 KKEARN C[C@@H](OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2)C(=O)Nc1ccccc1C#N ZINC000103079664 555258288 /nfs/dbraw/zinc/25/82/88/555258288.db2.gz DMWCAEYDZILYJQ-GKYQZKGUSA-N 0 0 529.640 7.075 50 30 KKEARN COc1ccc(-c2nnc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)n2C[C@H]2CCCO2)cc1 ZINC000103080341 555259024 /nfs/dbraw/zinc/25/90/24/555259024.db2.gz PXVFYCMAMILNMQ-NJRDNMGOSA-N 0 0 504.656 5.105 50 30 KKEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccc(Cl)cc2)cc1Cl ZINC000103080841 555259742 /nfs/dbraw/zinc/25/97/42/555259742.db2.gz ZXQDHUMUYFGDTQ-UHFFFAOYSA-N 0 0 519.417 6.325 50 30 KKEARN N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000103083535 555262407 /nfs/dbraw/zinc/26/24/07/555262407.db2.gz DFOJEXLNNBFONS-HKWRFOASSA-N 0 0 518.529 5.687 50 30 KKEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000103084865 555263602 /nfs/dbraw/zinc/26/36/02/555263602.db2.gz NLQRTMHELIYURZ-LFVJCYFKSA-N 0 0 502.043 5.955 50 30 KKEARN CCCCCCCCCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC ZINC000103101540 555279051 /nfs/dbraw/zinc/27/90/51/555279051.db2.gz HNSDDJPFWSDPAQ-UHFFFAOYSA-N 0 0 549.756 6.364 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 ZINC000103102707 555280322 /nfs/dbraw/zinc/28/03/22/555280322.db2.gz KBRXETOHNHLNSQ-UHFFFAOYSA-N 0 0 599.627 6.982 50 30 KKEARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccccc2F)n1 ZINC000103113538 555286617 /nfs/dbraw/zinc/28/66/17/555286617.db2.gz WARFGKGAZUPTLN-MOPGFXCFSA-N 0 0 604.548 6.762 50 30 KKEARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000103116433 555288533 /nfs/dbraw/zinc/28/85/33/555288533.db2.gz WARFLOLDJBVOEP-CQSZACIVSA-N 0 0 512.372 5.408 50 30 KKEARN CCc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)CC)C4)n(C3CCCCC3)c(=O)c2c1C ZINC000103117340 555288905 /nfs/dbraw/zinc/28/89/05/555288905.db2.gz IBTUXDIQHIZQDI-LJQANCHMSA-N 0 0 596.888 8.039 50 30 KKEARN Cc1cc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000103129204 555297710 /nfs/dbraw/zinc/29/77/10/555297710.db2.gz VBAPOYARIXNCPY-WJOKGBTCSA-N 0 0 551.675 7.291 50 30 KKEARN N#CCCN(C(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F ZINC000103136880 555307027 /nfs/dbraw/zinc/30/70/27/555307027.db2.gz WKPAGPRRWOZFSF-UHFFFAOYSA-N 0 0 547.486 6.008 50 30 KKEARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C(F)(F)F)cc1C(F)(F)F)n2Cc1cccc(F)c1 ZINC000103143014 555311745 /nfs/dbraw/zinc/31/17/45/555311745.db2.gz NAPBWKDAZCWHCJ-UHFFFAOYSA-N 0 0 556.503 7.730 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccc(Br)c2)cc1C ZINC000103143820 555311924 /nfs/dbraw/zinc/31/19/24/555311924.db2.gz VXGDIJKFTPFKKL-ZHHPLPSFSA-N 0 0 516.432 5.395 50 30 KKEARN CCCCCCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000103151245 555317073 /nfs/dbraw/zinc/31/70/73/555317073.db2.gz FAYPNYUPIDBELQ-MHZLTWQESA-N 0 0 526.722 5.283 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1 ZINC000103203141 555338075 /nfs/dbraw/zinc/33/80/75/555338075.db2.gz KYXJMDKCGNGYSP-UHFFFAOYSA-N 0 0 643.835 8.934 50 30 KKEARN N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn32)CC1 ZINC000103360336 555364623 /nfs/dbraw/zinc/36/46/23/555364623.db2.gz JDTSPXCVTKSSIX-UHFFFAOYSA-N 0 0 613.099 5.608 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCCn3ccnc3)C[C@H](OCc3ccccc3C#N)[C@@H]2O1 ZINC000103360438 555364920 /nfs/dbraw/zinc/36/49/20/555364920.db2.gz XUIUVWSCQWBWBW-SMXDRTIVSA-N 0 0 612.649 5.135 50 30 KKEARN N#Cc1cccc([C@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000103429043 555412003 /nfs/dbraw/zinc/41/20/03/555412003.db2.gz VFIFRFSYHZREMK-MHZLTWQESA-N 0 0 545.058 5.324 50 30 KKEARN CCOc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(CN4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n3c2)c1 ZINC000103432288 555413775 /nfs/dbraw/zinc/41/37/75/555413775.db2.gz IBNYMWMNQNMAFE-UHFFFAOYSA-N 0 0 595.700 5.584 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103513514 555422746 /nfs/dbraw/zinc/42/27/46/555422746.db2.gz QWNWUENDWKKSML-KEVKATSASA-N 0 0 543.406 5.371 50 30 KKEARN CCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525149 555427881 /nfs/dbraw/zinc/42/78/81/555427881.db2.gz VTSYSXOZBFARAD-UHFFFAOYSA-N 0 0 628.642 12.937 50 30 KKEARN FC(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@]1(F)C(F)(F)C(F)(F)F ZINC000103529114 555429528 /nfs/dbraw/zinc/42/95/28/555429528.db2.gz OEDOFOJJNOOWEM-XIXRPRMCSA-N 0 0 500.070 6.353 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 ZINC000103534319 555434330 /nfs/dbraw/zinc/43/43/30/555434330.db2.gz PWRQVBNNRKCPRK-DGPALRBDSA-N 0 0 557.949 9.628 50 30 KKEARN Ic1ccc(/C=N/[C@H](c2ccc(I)cc2)n2nnc3ccccc32)cc1 ZINC000103544451 555439742 /nfs/dbraw/zinc/43/97/42/555439742.db2.gz DWPZZCUBGROCIR-IYHCKTHZSA-N 0 0 564.168 5.307 50 30 KKEARN O=C(Cn1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCOCC1 ZINC000103686266 555462543 /nfs/dbraw/zinc/46/25/43/555462543.db2.gz IISYJYLKYYAKGZ-PCYGFIDKSA-N 0 0 550.684 5.173 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1OC ZINC000103723739 555465367 /nfs/dbraw/zinc/46/53/67/555465367.db2.gz RTXMWIYEJMIGRH-CPNJWEJPSA-N 0 0 555.365 5.119 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)c1C#N ZINC000103786465 555477676 /nfs/dbraw/zinc/47/76/76/555477676.db2.gz FITRJGRHONSZRN-XODNFHPESA-N 0 0 556.404 5.355 50 30 KKEARN C[C@@H](C=O)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049757138 562675638 /nfs/dbraw/zinc/67/56/38/562675638.db2.gz UWYAIHCHPIIVJC-SNBXBRBDSA-N 0 0 646.873 8.034 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049767550 562677638 /nfs/dbraw/zinc/67/76/38/562677638.db2.gz ZJICALPJPGPPOI-FUPONGDBSA-N 0 0 536.801 7.886 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000245228736 562881327 /nfs/dbraw/zinc/88/13/27/562881327.db2.gz DPRXSYGUKXKSER-IRPXJGOYSA-N 0 0 598.526 7.724 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000222475389 571363128 /nfs/dbraw/zinc/36/31/28/571363128.db2.gz CXMQPDCTRXYJQU-YBZFOXLFSA-N 0 0 532.593 5.077 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000103848603 571363853 /nfs/dbraw/zinc/36/38/53/571363853.db2.gz WTKMLOVLZOCQKG-LFVJCYFKSA-N 0 0 578.484 6.198 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000104134973 571374615 /nfs/dbraw/zinc/37/46/15/571374615.db2.gz QPHPRLKYQDIVEL-UHFFFAOYSA-N 0 0 524.614 7.962 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)S2)cc1 ZINC000104230259 571377493 /nfs/dbraw/zinc/37/74/93/571377493.db2.gz YRADWQOBELFDAV-OEAKJJBVSA-N 0 0 538.423 6.390 50 30 KKEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000104332821 571379383 /nfs/dbraw/zinc/37/93/83/571379383.db2.gz YKZQCOYNKBWTBX-UHFFFAOYSA-N 0 0 546.060 5.803 50 30 KKEARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000105059703 571390593 /nfs/dbraw/zinc/39/05/93/571390593.db2.gz VHAXUNRWSMNADH-WGDIFIGCSA-N 0 0 613.599 6.245 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cc(C)ccc4C)c4ccccc4C3c3ccccc32)cc1 ZINC000105159999 571391717 /nfs/dbraw/zinc/39/17/17/571391717.db2.gz RZYDRKKFHNMHTA-BOEJXIRASA-N 0 0 512.609 6.265 50 30 KKEARN Cc1c(/C=C2\C[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)cnn1C ZINC000105877412 571409090 /nfs/dbraw/zinc/40/90/90/571409090.db2.gz ZZKYIWDKKVRQON-MRDCSWIQSA-N 0 0 546.840 8.181 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccccc5OC(F)(F)F)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877428 571409144 /nfs/dbraw/zinc/40/91/44/571409144.db2.gz SNCPPULGVLFYCZ-QNFJPFBMSA-N 0 0 612.817 10.038 50 30 KKEARN COc1cc(/C=C2\C[C@]3(C)[C@H]4CC[C@H]5[C@@H]6[C@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C(C)(C)C2=O)ccc1OC(F)F ZINC000105877484 571409185 /nfs/dbraw/zinc/40/91/85/571409185.db2.gz CVFOVLXJRYURMA-OAXVVZHGSA-N 0 0 624.853 9.749 50 30 KKEARN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C#N)cc1 ZINC000105923540 571409481 /nfs/dbraw/zinc/40/94/81/571409481.db2.gz WMHOUOLRVHOJLF-FMCGGJTJSA-N 0 0 580.416 6.053 50 30 KKEARN C=CCc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000105968755 571409537 /nfs/dbraw/zinc/40/95/37/571409537.db2.gz JCGVKASVKNQACC-ITYLOYPMSA-N 0 0 560.697 5.948 50 30 KKEARN COc1ccc([C@@H]2c3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000105982943 571409915 /nfs/dbraw/zinc/40/99/15/571409915.db2.gz FUPZGKBNDSVZHX-FQEVSTJZSA-N 0 0 527.473 7.077 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000106014734 571410249 /nfs/dbraw/zinc/41/02/49/571410249.db2.gz JKDKXOHPUDDMIF-MPFGFTFXSA-N 0 0 567.513 7.784 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000106536518 571412934 /nfs/dbraw/zinc/41/29/34/571412934.db2.gz YNHHWQINYASXKB-NXNJFABFSA-N 0 0 513.937 5.182 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000108450756 571425385 /nfs/dbraw/zinc/42/53/85/571425385.db2.gz CBAJYXMHXVCCRE-AREMUKBSSA-N 0 0 512.602 7.346 50 30 biogenic KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc(-c5ccccc5)cc(-c5ccccc5F)c4c3N)c2)cc1 ZINC000113480090 571438832 /nfs/dbraw/zinc/43/88/32/571438832.db2.gz IDGKRZOWEMJSSW-LVZFUZTISA-N 0 0 611.742 9.623 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2cccc(NC(=O)c3sc4nc5c(cc4c3N)CC[C@@H](C(C)(C)C)C5)c2)cc1 ZINC000113480393 571438929 /nfs/dbraw/zinc/43/89/29/571438929.db2.gz XSEJQRGSZGBIEZ-XAJMEMKASA-N 0 0 551.756 8.301 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5ccc(C(C)C)cc5)cc4)sc3n2)cc1 ZINC000113481996 571439147 /nfs/dbraw/zinc/43/91/47/571439147.db2.gz LGXUCOVREFSPKN-SSDVNMTOSA-N 0 0 623.778 9.493 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc(-c5cccs5)cc(C(F)(F)F)c4c3N)cc2)cc1 ZINC000113482455 571439154 /nfs/dbraw/zinc/43/91/54/571439154.db2.gz LXHSZXJJMMNAJK-VGOFMYFVSA-N 0 0 591.680 8.898 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)cc1 ZINC000113560576 571439999 /nfs/dbraw/zinc/43/99/99/571439999.db2.gz YHRMAINMSMGLQH-ATKXTZNESA-N 0 0 585.751 5.059 50 30 KKEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4CCN(Cc5ccccc5)CC4)C3=O)cc2)cc1 ZINC000113560577 571440074 /nfs/dbraw/zinc/44/00/74/571440074.db2.gz YHRMAINMSMGLQH-BCGVSBSESA-N 0 0 585.751 5.059 50 30 KKEARN CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](SC(=NC#N)Nc3ccccc3Cl)C1=O)C[C@@H](C)CC2 ZINC000113561793 571440259 /nfs/dbraw/zinc/44/02/59/571440259.db2.gz DZPCSXCCUMCZFR-SCLBCKFNSA-N 0 0 531.059 5.017 50 30 KKEARN C[C@H](Sc1nc(-c2ccc(Cl)cc2Cl)ccc1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113562422 571440347 /nfs/dbraw/zinc/44/03/47/571440347.db2.gz OSLKBIUWXQHCJP-RTGRKSDTSA-N 0 0 564.519 8.004 50 30 KKEARN C[C@@H](Sc1nc(-c2ccc(Cl)cc2Cl)ccc1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113562424 571440361 /nfs/dbraw/zinc/44/03/61/571440361.db2.gz OSLKBIUWXQHCJP-JIIJFUIFSA-N 0 0 564.519 8.004 50 30 KKEARN Nc1c2ccc(-c3ccc(Cl)c(Cl)c3)nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113562959 571440491 /nfs/dbraw/zinc/44/04/91/571440491.db2.gz VFSILLOJYKLONO-XYOKQWHBSA-N 0 0 550.492 8.062 50 30 KKEARN Cc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000113563565 571440628 /nfs/dbraw/zinc/44/06/28/571440628.db2.gz JOEZXKWVQUDQCC-KXKTWFEWSA-N 0 0 620.199 9.326 50 30 KKEARN O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113563650 571440630 /nfs/dbraw/zinc/44/06/30/571440630.db2.gz MZMJVSHULRXWKO-OWNNABMUSA-N 0 0 624.615 6.357 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1 ZINC000113564547 571440744 /nfs/dbraw/zinc/44/07/44/571440744.db2.gz SEFXGVWUPRCCID-ISLYRVAYSA-N 0 0 601.753 8.739 50 30 KKEARN C[C@H](Sc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000113564606 571440853 /nfs/dbraw/zinc/44/08/53/571440853.db2.gz ZHJTUGUFYYYKCE-ZJIOXEHGSA-N 0 0 589.717 8.503 50 30 KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C1/CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000118915854 571444022 /nfs/dbraw/zinc/44/40/22/571444022.db2.gz ARBKTKAUJNRJQD-MBJMYMCJSA-N 0 0 572.878 8.431 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1COc1ccc(F)c(Cl)c1 ZINC000136978579 571449959 /nfs/dbraw/zinc/44/99/59/571449959.db2.gz PGKXPMYFWUNBNG-LJAQVGFWSA-N 0 0 562.041 6.377 50 30 KKEARN CCCCCCCCCCCCOc1ccc(-c2ccc(CCC3CCC(CCCCC)CC3)cc2)c(F)c1F ZINC000137091388 571450154 /nfs/dbraw/zinc/45/01/54/571450154.db2.gz AONFWVRSOJWLBL-UHFFFAOYSA-N 0 0 554.850 12.251 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)Nc3nc4cc(Br)ccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000138217880 571451237 /nfs/dbraw/zinc/45/12/37/571451237.db2.gz QXZGFHNKTWZGNW-QHCPKHFHSA-N 0 0 536.495 6.610 50 30 KKEARN COC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150340138 571457765 /nfs/dbraw/zinc/45/77/65/571457765.db2.gz XCSZRHBSQLYKOK-VYNVVFCLSA-N 0 0 842.136 8.707 50 30 KKEARN O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N(O)[C@@H]1CCCC[C@H]1N(O)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150340890 571457952 /nfs/dbraw/zinc/45/79/52/571457952.db2.gz VWHFLRGVWVBFFY-NDOUMJCMSA-N 0 0 714.906 9.583 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000150342700 571458738 /nfs/dbraw/zinc/45/87/38/571458738.db2.gz MFFVZGUPYIMIPD-XFSFLGPDSA-N 0 0 652.500 9.627 50 30 KKEARN C(#Cc1cccc(-c2nc3ccccc3nc2-c2cccc(C#Cc3ccc(Sc4ccccc4)cc3)c2)c1)c1ccc(Sc2ccccc2)cc1 ZINC000150346519 571460487 /nfs/dbraw/zinc/46/04/87/571460487.db2.gz YKVUFXLYTLXGLO-UHFFFAOYSA-N 0 0 698.916 12.066 50 30 KKEARN FC(F)(F)c1cnc(NCCN(CCOc2ncc(C(F)(F)F)cc2Cl)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000150347876 571460843 /nfs/dbraw/zinc/46/08/43/571460843.db2.gz MVCGJPBFFZTXGD-UHFFFAOYSA-N 0 0 642.737 7.886 50 30 KKEARN COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(/C=N/c5ccc(C(=O)OC)cc5)cc4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000150349136 571461480 /nfs/dbraw/zinc/46/14/80/571461480.db2.gz ACCBMWKJEWZTAX-YGLZRDFESA-N 0 0 685.645 7.108 50 30 KKEARN O=c1oc(=O)n(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000150353228 571462708 /nfs/dbraw/zinc/46/27/08/571462708.db2.gz JRKNOQQQWMFWME-UHFFFAOYSA-N 0 0 623.259 6.744 50 30 KKEARN O=[N+]([O-])c1cc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)cc2)ccc1Br ZINC000150353418 571462790 /nfs/dbraw/zinc/46/27/90/571462790.db2.gz RFZZZSNLFNPTNX-RVSCTIAXSA-N 0 0 622.273 8.120 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)NC1CCCCC1 ZINC000150358348 571463523 /nfs/dbraw/zinc/46/35/23/571463523.db2.gz XVBPLZRWRJXMNO-OPEKNORGSA-N 0 0 677.371 6.503 50 30 KKEARN O=C(COc1ccccc1Cl)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000150369913 571465748 /nfs/dbraw/zinc/46/57/48/571465748.db2.gz CIWVNURPZGGKDM-UHFFFAOYSA-N 0 0 611.738 7.416 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000150384181 571468144 /nfs/dbraw/zinc/46/81/44/571468144.db2.gz CBVKJEBZJXDTHC-SAAIGDAKSA-N 0 0 652.641 6.380 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000150384233 571468219 /nfs/dbraw/zinc/46/82/19/571468219.db2.gz YKPLFDHMTBDKTJ-RZDMPUFOSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1 ZINC000150385472 571468824 /nfs/dbraw/zinc/46/88/24/571468824.db2.gz WCWSJFFITDLELK-PNTFMKQHSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000150385557 571468838 /nfs/dbraw/zinc/46/88/38/571468838.db2.gz ZHPQLLDBXUYCLU-IEZKXTBUSA-N 0 0 655.651 6.202 50 30 KKEARN N#Cc1ccccc1COc1c(Br)cc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)cc1Br ZINC000150385720 571468920 /nfs/dbraw/zinc/46/89/20/571468920.db2.gz FGQZONNAKRGTEE-JJFYIABZSA-N 0 0 618.347 7.203 50 30 KKEARN C#CCOc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1I ZINC000150385719 571469021 /nfs/dbraw/zinc/46/90/21/571469021.db2.gz OWTIGCNVMURLJL-WOJGMQOQSA-N 0 0 615.230 5.453 50 30 KKEARN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000150387891 571470515 /nfs/dbraw/zinc/47/05/15/571470515.db2.gz VZHXMTBAONQWJH-DICXZTSXSA-N 0 0 698.535 6.054 50 30 KKEARN Cc1ccccc1N1C(=O)/C(=C\c2cc(I)cc(I)c2OCc2ccccc2C#N)SC1=S ZINC000150389297 571471640 /nfs/dbraw/zinc/47/16/40/571471640.db2.gz JQMNADIRUZZCHT-SSDVNMTOSA-N 0 0 694.357 7.061 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)c1 ZINC000150390702 571473015 /nfs/dbraw/zinc/47/30/15/571473015.db2.gz VUQMHOVKFSRDHQ-UXHICEINSA-N 0 0 645.199 6.268 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1N1C(=O)c2ccccc2[C@@H](Sc2nnnn2-c2ccccc2)C1=O ZINC000150391521 571473808 /nfs/dbraw/zinc/47/38/08/571473808.db2.gz ZYSWTYWXGJBAFY-DIPNUNPCSA-N 0 0 681.947 10.323 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150395148 571475849 /nfs/dbraw/zinc/47/58/49/571475849.db2.gz SNPUTNQLXGUHQM-WKRVVKTRSA-N 0 0 648.550 6.589 50 30 KKEARN O=C1/C(=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)CC/C1=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000150396713 571476689 /nfs/dbraw/zinc/47/66/89/571476689.db2.gz AQDGUHXXBUWPRX-OWPADCAXSA-N 0 0 700.886 11.228 50 30 KKEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 ZINC000150407867 571480330 /nfs/dbraw/zinc/48/03/30/571480330.db2.gz ZWDPFZBZLTWTOM-UHFFFAOYSA-N 0 0 690.844 6.129 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422254 571488199 /nfs/dbraw/zinc/48/81/99/571488199.db2.gz LLZXFOFHTIFZMK-MDLGLMBTSA-N 0 0 642.774 7.468 50 30 KKEARN O=C(Oc1cccc(/C=N/c2ccc(/N=C/c3cccc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150424245 571488995 /nfs/dbraw/zinc/48/89/95/571488995.db2.gz AJULISSWTZZVNE-CQFWSYKGSA-N 0 0 704.564 7.259 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000150425098 571489562 /nfs/dbraw/zinc/48/95/62/571489562.db2.gz QIFHATDPUYSUNF-UHFFFAOYSA-N 0 0 625.401 6.891 50 30 KKEARN C=C(C)C(=O)Nc1cc(S(=O)(=O)N(CCCC)CCCC)c2cccc3c(=O)/c(=C4\Sc5ccc6ccccc6c5C4=O)sc1c23 ZINC000150425684 571489846 /nfs/dbraw/zinc/48/98/46/571489846.db2.gz YFZOTLYTFPAGDG-XAHDOWKMSA-N 0 0 670.878 7.489 50 30 KKEARN CC1=C(NC(=O)CSc2ccc(NC(=O)C(=Cc3ccc(-c4ccccc4)o3)NC(=O)c3ccccc3)cc2)C(=O)[C@@H](c2ccccc2)N1C ZINC000150425963 571490253 /nfs/dbraw/zinc/49/02/53/571490253.db2.gz JJYQUKLPKCVAGJ-PEOHFUNZSA-N 0 0 682.802 7.052 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426828 571491228 /nfs/dbraw/zinc/49/12/28/571491228.db2.gz YLOAVMLQKROHKK-OLILMLBXSA-N 0 0 644.559 5.813 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150426879 571491239 /nfs/dbraw/zinc/49/12/39/571491239.db2.gz GFTKTQWWAQYFNS-HEIROHQZSA-N 0 0 662.577 6.631 50 30 KKEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N(C3CCCCC3)C3CCCCC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N(C1CCCCC1)C1CCCCC1 ZINC000150427184 571491361 /nfs/dbraw/zinc/49/13/61/571491361.db2.gz UTBCGRMPMYPFHM-UHFFFAOYSA-N 0 0 843.267 10.869 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150428567 571492116 /nfs/dbraw/zinc/49/21/16/571492116.db2.gz YDJOWIQXOSTFFE-KEVKATSASA-N 0 0 622.302 6.134 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435767 571495699 /nfs/dbraw/zinc/49/56/99/571495699.db2.gz IJMKAPJDDWCSKR-YPEQYFKQSA-N 0 0 648.737 7.288 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435640 571495847 /nfs/dbraw/zinc/49/58/47/571495847.db2.gz RWRGISZWCFFKKW-QCRSBAEDSA-N 0 0 632.738 7.532 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000150436451 571496304 /nfs/dbraw/zinc/49/63/04/571496304.db2.gz VRNOJHGSFGRXQW-BFXRBFBZSA-N 0 0 645.752 7.267 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445229 571500204 /nfs/dbraw/zinc/50/02/04/571500204.db2.gz CIXDOCCDZHMTLZ-UZGIXAGNSA-N 0 0 654.741 6.556 50 30 KKEARN CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O/N=c1/oc2cc3c(cc2c(C)c1Cc1ccccc1)CCC1(CCCCC1)O3 ZINC000150446306 571500934 /nfs/dbraw/zinc/50/09/34/571500934.db2.gz ADNAFXATXUDINT-KAVZPQNDSA-N 0 0 642.818 7.174 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457058 571504814 /nfs/dbraw/zinc/50/48/14/571504814.db2.gz FZIFKBJLIYHAAG-QMWVLESOSA-N 0 0 642.774 7.612 50 30 KKEARN CC[C@@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150460096 571505939 /nfs/dbraw/zinc/50/59/39/571505939.db2.gz SGSWLRIBKAJXBL-MRXNPFEDSA-N 0 0 657.551 7.960 50 30 KKEARN O=C(c1csc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2F)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000150461767 571506553 /nfs/dbraw/zinc/50/65/53/571506553.db2.gz CZQUICRRWPUYFV-UHFFFAOYSA-N 0 0 636.637 7.485 50 30 KKEARN CCN(CC)c1ncc2c(c1C#N)[C@](C#N)(CC(=O)c1ccc(Br)cc1)C(C(=O)c1ccc(Br)cc1)=C2N ZINC000150471919 571509822 /nfs/dbraw/zinc/50/98/22/571509822.db2.gz CXMOTDZIQVFJCL-GDLZYMKVSA-N 0 0 633.344 5.925 50 30 KKEARN CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000150472572 571509948 /nfs/dbraw/zinc/50/99/48/571509948.db2.gz AZXSNBDMSYYFJF-ZEEKBPLESA-N 0 0 661.861 8.094 50 30 KKEARN COc1cc(/C=C2\CC/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc(I)c1OCc1ccccc1 ZINC000150480957 571512272 /nfs/dbraw/zinc/51/22/72/571512272.db2.gz DSFPGCXIMBYMES-DPCVLPDWSA-N 0 0 784.428 8.901 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000150481128 571512416 /nfs/dbraw/zinc/51/24/16/571512416.db2.gz PPIITFQNTLESFE-UHFFFAOYSA-N 0 0 690.644 9.111 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3cccc4ccccc43)nc(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c2C#N)c1 ZINC000150484375 571514928 /nfs/dbraw/zinc/51/49/28/571514928.db2.gz MYCGZIHIIBAVKN-GKUCLKHTSA-N 0 0 681.839 9.535 50 30 KKEARN COc1ccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)cc1OC ZINC000150485049 571515643 /nfs/dbraw/zinc/51/56/43/571515643.db2.gz NMYGCSNUIQHEME-ISLYRVAYSA-N 0 0 667.812 9.593 50 30 KKEARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1OCc1ccccc1C#N ZINC000150503185 571518910 /nfs/dbraw/zinc/51/89/10/571518910.db2.gz QFXYUGCEDFDOMS-XZYZCHRKSA-N 0 0 752.590 6.291 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509650 571519565 /nfs/dbraw/zinc/51/95/65/571519565.db2.gz ORLUHVRMNFWKHC-WENCNXQZSA-N 0 0 640.571 6.808 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509652 571519686 /nfs/dbraw/zinc/51/96/86/571519686.db2.gz ORLUHVRMNFWKHC-KEEVHDRGSA-N 0 0 640.571 6.808 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509471 571519690 /nfs/dbraw/zinc/51/96/90/571519690.db2.gz XHSQOFXPJDAERL-UVDDSOTQSA-N 0 0 648.550 6.676 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000150510342 571519827 /nfs/dbraw/zinc/51/98/27/571519827.db2.gz GKVCKYCEEJOVDO-GJBXTBEHSA-N 0 0 676.604 7.021 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000150521586 571520145 /nfs/dbraw/zinc/52/01/45/571520145.db2.gz HBMNNYDGLOJVEF-OSPAZUARSA-N 0 0 641.717 6.012 50 30 KKEARN CCCCCCCCNC(=O)/C(=C\c1ccc(-c2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCCCCCCC)cc2)cc1)NC(=O)c1ccccc1 ZINC000150548478 571520803 /nfs/dbraw/zinc/52/08/03/571520803.db2.gz BOQDLZOJSRJHDU-XXMFJUJNSA-N 0 0 755.016 9.849 50 30 KKEARN CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N/N=c2/sc3ccc(S(=O)(=O)C(F)F)cc3n2C)cc1 ZINC000150574446 571521549 /nfs/dbraw/zinc/52/15/49/571521549.db2.gz RCZZWBSMGAGXPT-JSLDZMDGSA-N 0 0 736.995 6.790 50 30 KKEARN O=C(Nc1ccc(F)cc1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000150624544 571523480 /nfs/dbraw/zinc/52/34/80/571523480.db2.gz LJXOCFKAUYQXAP-UHFFFAOYSA-N 0 0 621.171 6.500 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1 ZINC000150625509 571523665 /nfs/dbraw/zinc/52/36/65/571523665.db2.gz YIVKNYGSDRLGHB-JHIPEVQNSA-N 0 0 640.689 5.896 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000150633529 571524196 /nfs/dbraw/zinc/52/41/96/571524196.db2.gz RXIAKKAQFLCDGS-YZSQISJMSA-N 0 0 638.555 7.326 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150656901 571526980 /nfs/dbraw/zinc/52/69/80/571526980.db2.gz XCHLKHZCISXQPT-LTJMTCASSA-N 0 0 660.796 6.005 50 30 KKEARN CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C(=O)Oc3ccc4ccccc4c3-c3c(O)c(C(=O)OC)cc4ccccc43)cc2)cc1 ZINC000150656549 571526991 /nfs/dbraw/zinc/52/69/91/571526991.db2.gz DGONBKCRBUPOHZ-UHFFFAOYSA-N 0 0 732.917 12.071 50 30 KKEARN O=C(Nc1ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(=O)c2ccccc2)c1)c1ccccc1 ZINC000150661699 571527335 /nfs/dbraw/zinc/52/73/35/571527335.db2.gz TZLOYZDVRHLXSO-UHFFFAOYSA-N 0 0 630.429 8.175 50 30 KKEARN FC(F)(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)[C@]1(F)C(F)(F)C(F)(F)[C@@]2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F ZINC000150661662 571527394 /nfs/dbraw/zinc/52/73/94/571527394.db2.gz DFGLLDMCDAKADU-MGGFGJSXSA-N 0 0 774.127 9.119 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000150662682 571527855 /nfs/dbraw/zinc/52/78/55/571527855.db2.gz HDZBNBDAUCESDU-WKHSNOJSSA-N 0 0 706.857 7.539 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000150663297 571528003 /nfs/dbraw/zinc/52/80/03/571528003.db2.gz WCWSJFFITDLELK-QTLGCAHFSA-N 0 0 628.644 6.433 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000150662963 571528012 /nfs/dbraw/zinc/52/80/12/571528012.db2.gz UEJHZXGGYAISSA-KJYTXNCISA-N 0 0 669.096 6.895 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163963877 571543862 /nfs/dbraw/zinc/54/38/62/571543862.db2.gz QRLOKTBZZPZAMX-CJBPLCDJSA-N 0 0 618.080 7.326 50 30 KKEARN F[C@@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164730477 571550876 /nfs/dbraw/zinc/55/08/76/571550876.db2.gz MEXQRXXROOSHGK-ONXPGBNHSA-N 0 0 950.120 11.001 50 30 KKEARN F[C@H](OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164730591 571550985 /nfs/dbraw/zinc/55/09/85/571550985.db2.gz MEXQRXXROOSHGK-FISFEFSVSA-N 0 0 950.120 11.001 50 30 KKEARN FC1(F)C(F)(F)C(F)(F)[C@@]2(F)[C@](F)(C1(F)F)C(F)(F)C(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]12F ZINC000169304627 571553189 /nfs/dbraw/zinc/55/31/89/571553189.db2.gz QKENRHXGDUPTEM-ORZLYADOSA-N 0 0 624.106 7.213 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1OC ZINC000169618339 571554139 /nfs/dbraw/zinc/55/41/39/571554139.db2.gz MPQANXLESBBKME-QQJPXLIJSA-N 0 0 561.726 7.061 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000169619809 571554163 /nfs/dbraw/zinc/55/41/63/571554163.db2.gz ITZFUOKPWLCVBT-CGQHOMIXSA-N 0 0 554.425 7.160 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Br)cc3)N4)sc2C1 ZINC000169683097 571557985 /nfs/dbraw/zinc/55/79/85/571557985.db2.gz OZWWIMMXYQWFBR-MPHOGZCYSA-N 0 0 606.512 7.642 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000169687936 571558462 /nfs/dbraw/zinc/55/84/62/571558462.db2.gz XWGGSEOPSAHCDA-RFYMFKDESA-N 0 0 560.691 5.255 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000169692362 571558615 /nfs/dbraw/zinc/55/86/15/571558615.db2.gz CDVSWBGQMNVOKN-DNKZPPIMSA-N 0 0 549.689 5.175 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000169692397 571558617 /nfs/dbraw/zinc/55/86/17/571558617.db2.gz GCEOMUVANKVBLZ-DNKZPPIMSA-N 0 0 549.689 5.175 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000169700724 571558982 /nfs/dbraw/zinc/55/89/82/571558982.db2.gz BNESVEPATFAYCP-AEZIPXSOSA-N 0 0 560.716 5.724 50 30 KKEARN C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000169718758 571559375 /nfs/dbraw/zinc/55/93/75/571559375.db2.gz JDUWHZOLEDOQSR-YRGSEIARSA-N 0 0 634.213 5.662 50 30 in-vitro KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000169777443 571560412 /nfs/dbraw/zinc/56/04/12/571560412.db2.gz VFAUDWWINUHAET-IJLGGOBLSA-N 0 0 547.007 5.799 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@H]([C@@H](C(=O)OC)c3ccc(F)cc3Cl)C2)cc1 ZINC000169793717 571560605 /nfs/dbraw/zinc/56/06/05/571560605.db2.gz BGZATNTVUUAOOW-UNIVCBNLSA-N 0 0 502.026 6.460 50 30 KKEARN CCCCCCCCCCCC[Si](c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000169818471 571561185 /nfs/dbraw/zinc/56/11/85/571561185.db2.gz XRZGXJXOKUKLGQ-UHFFFAOYSA-N 0 0 532.071 9.038 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)-c1ccccc1C2)[C@H](O)c1ccccc1 ZINC000198689982 571568309 /nfs/dbraw/zinc/56/83/09/571568309.db2.gz ZFINKWNLKNPMLT-OIDHKYIRSA-N 0 0 605.841 7.883 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)-c1ccccc1C2)[C@@H](O)c1ccccc1 ZINC000198690004 571568396 /nfs/dbraw/zinc/56/83/96/571568396.db2.gz ZFINKWNLKNPMLT-GPOMZPHUSA-N 0 0 605.841 7.883 50 30 KKEARN Cc1cc(Cl)ccc1NC(=O)C1=CC(=O)C[C@@H](c2ccc([C@@H]3CC(=O)C=C(C(=O)Nc4ccc(Cl)cc4C)O3)cc2)O1 ZINC000198720947 571568677 /nfs/dbraw/zinc/56/86/77/571568677.db2.gz IJXUNQOOYHWPMU-NSOVKSMOSA-N 0 0 605.474 6.716 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@@H](c4ccc(OC)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@H](c2ccc(OC)cc2)O1 ZINC000198726856 571568860 /nfs/dbraw/zinc/56/88/60/571568860.db2.gz OABRSISNWOZJJZ-RGULYWFUSA-N 0 0 742.869 8.142 50 30 KKEARN CCc1cc(Cc2ccc(C)c(NC(=O)C3=CC(=O)C[C@H](c4ccc(OC)cc4)O3)c2CC)cc(C)c1NC(=O)C1=CC(=O)C[C@@H](c2ccc(OC)cc2)O1 ZINC000198726841 571568902 /nfs/dbraw/zinc/56/89/02/571568902.db2.gz OABRSISNWOZJJZ-ZESVVUHVSA-N 0 0 742.869 8.142 50 30 KKEARN CCN(CC)c1ccc(-c2oc(/C=N/NC(C)(C)C)c([N+](=O)[O-])c2-c2ccc(N(CC)CC)cc2)cc1 ZINC000198728217 571568904 /nfs/dbraw/zinc/56/89/04/571568904.db2.gz DMIQVWITAZZDKF-TWKHWXDSSA-N 0 0 505.663 6.936 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)c(C)c3C)c(OC)c2)SC1=S ZINC000207099332 571573068 /nfs/dbraw/zinc/57/30/68/571573068.db2.gz VZXKQVPHPHAGGR-MTJSOVHGSA-N 0 0 547.496 5.479 50 30 KKEARN CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)NC1=NC(=S)N(Cc2ccccc2)C12CCCCC2 ZINC000207243199 571573278 /nfs/dbraw/zinc/57/32/78/571573278.db2.gz HLNOVBVBEFRKBI-ANVLDHPDSA-N 0 0 514.566 7.913 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)c1 ZINC000215710157 571585035 /nfs/dbraw/zinc/58/50/35/571585035.db2.gz PNWQZBQBIDKVMS-UHFFFAOYSA-N 0 0 550.562 6.449 50 30 KKEARN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(/N=C/c4cccnc4Cl)cc3)ccc21 ZINC000215718414 571585142 /nfs/dbraw/zinc/58/51/42/571585142.db2.gz HTTKNFFWTJHNBE-BVDLXKEDSA-N 0 0 513.066 7.733 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c2C#N)cc1 ZINC000215712887 571585158 /nfs/dbraw/zinc/58/51/58/571585158.db2.gz CNBWCNBCXOVGJZ-UHFFFAOYSA-N 0 0 534.563 6.749 50 30 KKEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccc(/N=C/c4cccnc4Cl)cc3)c3ccccc3)sc2C1 ZINC000215722214 571585328 /nfs/dbraw/zinc/58/53/28/571585328.db2.gz RCCRUXAXIMFAJZ-IAAIJJDTSA-N 0 0 557.144 8.016 50 30 KKEARN CC[C@H](Sc1ccc(/N=C/c2cccnc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000215721311 571585331 /nfs/dbraw/zinc/58/53/31/571585331.db2.gz LQQNYOPLGCKGHO-TYXQBPODSA-N 0 0 509.100 7.053 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1cccc(/N=C/c3cccnc3Cl)c1)CCCC2 ZINC000215741303 571585643 /nfs/dbraw/zinc/58/56/43/571585643.db2.gz NXFVEMZRWXUKIM-ZAEIUWHCSA-N 0 0 528.099 6.722 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000217601451 571601855 /nfs/dbraw/zinc/60/18/55/571601855.db2.gz XXBRCQBGNVBHRO-KNXBSLHKSA-N 0 0 562.515 6.549 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4c4nc5ccccc5nc4c32)cc1 ZINC000217769085 571602613 /nfs/dbraw/zinc/60/26/13/571602613.db2.gz QLVWOPDRXGJXHV-AREMUKBSSA-N 0 0 504.630 8.117 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(OCCc5ccc6c(c5)CCO6)c(OC)c3)CC(=O)O4)C2=O)c1OC ZINC000218118832 571603520 /nfs/dbraw/zinc/60/35/20/571603520.db2.gz VEZMXOBNDOHHSL-VZZDOBOISA-N 0 0 620.654 6.326 50 30 biogenic KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C2=O)c1OC ZINC000218103456 571603566 /nfs/dbraw/zinc/60/35/66/571603566.db2.gz HRDIRDZEVRAFGZ-MAAPNWIXSA-N 0 0 535.552 5.735 50 30 biogenic KKEARN C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](Sc2ccccc2)O[C@H](COCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000222235025 571604891 /nfs/dbraw/zinc/60/48/91/571604891.db2.gz OZARVANREPUDBF-BVMCXEQJSA-N 0 0 582.762 7.462 50 30 KKEARN CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccc(Br)cc23)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000225385917 571754747 /nfs/dbraw/zinc/75/47/47/571754747.db2.gz FEHXEWZFIVJFLP-RDOAIGANSA-N 0 0 538.254 5.430 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2Cc1ccc(CC2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000261491499 572110181 /nfs/dbraw/zinc/11/01/81/572110181.db2.gz GVQCLUWHLKEDDD-UHFFFAOYSA-N 0 0 650.856 8.637 50 30 KKEARN O=c1[nH]ncc(NN=C(C=CCc2ccc(C(=NNc3cn[nH]c(=O)c3Cl)c3ccccc3)cc2)c2ccccc2)c1Cl ZINC000261493168 572111947 /nfs/dbraw/zinc/11/19/47/572111947.db2.gz WROFEIPNERXYTL-YZJIHWBOSA-N 0 0 611.493 5.640 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc(C(C)C)cc1)N(C)CC4 ZINC000263584767 572115456 /nfs/dbraw/zinc/11/54/56/572115456.db2.gz AJBXBVVXBXPYIB-UHFFFAOYSA-N 0 0 525.645 6.863 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(C(C)C)cc2)CC(=O)O3)C1=O ZINC000263584839 572115488 /nfs/dbraw/zinc/11/54/88/572115488.db2.gz BNCSSELONJJLDH-TZUJKKSJSA-N 0 0 500.547 5.893 50 30 KKEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2cccc(OCc4ccccn4)c2)CC(=O)O3)C1=O ZINC000263585043 572116522 /nfs/dbraw/zinc/11/65/22/572116522.db2.gz DLXAOWWJGRCOBY-GJVLPJBHSA-N 0 0 505.526 5.726 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C4=O)cc1 ZINC000263585410 572118017 /nfs/dbraw/zinc/11/80/17/572118017.db2.gz IHRGNUXJSNXWAA-JQXKRNIHSA-N 0 0 586.681 7.509 50 30 KKEARN COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)C=C(C(=O)c1ccc2c(c1)CCN2C(C)=O)N(C)CC4 ZINC000263585442 572118627 /nfs/dbraw/zinc/11/86/27/572118627.db2.gz IQEWPBRQJDJKPB-UHFFFAOYSA-N 0 0 566.654 5.648 50 30 KKEARN COc1ccc2cc([C@@H]3CC(=O)Oc4ccc5c(c43)OC(=Cc3cc(OC)c(OC)cc3OC)C5=O)c(=O)[nH]c2c1 ZINC000263585449 572118787 /nfs/dbraw/zinc/11/87/87/572118787.db2.gz ITUZLFVORDADMQ-CEXQZHQISA-N 0 0 555.539 5.032 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(OCc5cccnc5)c3)CC(=O)O4)C2=O)cc1 ZINC000263586094 572121691 /nfs/dbraw/zinc/12/16/91/572121691.db2.gz 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CCOc1cc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccc(F)cc1 ZINC000239173687 572191417 /nfs/dbraw/zinc/19/14/17/572191417.db2.gz OLPLOTJNYBQZAK-UMSFTDKQSA-N 0 0 622.718 6.103 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000239297085 572193358 /nfs/dbraw/zinc/19/33/58/572193358.db2.gz DSOCIAZTFLTVEI-MTVVFAOMSA-N 0 0 825.208 10.556 50 30 KKEARN CC1(C)[C@H](C(=O)O[C@H](C#N)c2ccc(Oc3ccccc3)cc2)[C@H]1C=C(Br)Br ZINC000239412554 572195083 /nfs/dbraw/zinc/19/50/83/572195083.db2.gz SVQHJDITYPKCJD-GGPKGHCWSA-N 0 0 505.206 6.490 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000239433747 572196019 /nfs/dbraw/zinc/19/60/19/572196019.db2.gz YKCYCQSFKWWXPA-SWMNKOFTSA-N 0 0 507.715 6.842 50 30 KKEARN COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=Nc2ccccc2)cc1 ZINC000245204234 572201999 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C=CCSC1=N[C@H](c2ccc(OC)cc2)[C@@H]2C[C@H](C)C[C@@H]3[C@@H](c4ccc(OC)cc4)c4ccc(O)c(O)c4O[C@]32N1 ZINC000245255472 572221994 /nfs/dbraw/zinc/22/19/94/572221994.db2.gz IOTDTFACAVPCSM-GZTCFHISSA-N 0 0 572.727 6.618 50 30 KKEARN C=CCSC1=N[C@H](c2ccc(OC)cc2)[C@@H]2C[C@H](C)C[C@@H]3[C@H](c4ccc(OC)cc4)c4ccc(O)c(O)c4O[C@]32N1 ZINC000245255470 572222141 /nfs/dbraw/zinc/22/21/41/572222141.db2.gz IOTDTFACAVPCSM-CZIUHZJOSA-N 0 0 572.727 6.618 50 30 KKEARN CC1(C)[C@@H]2CC[C@@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)N6CCOCC6)CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O ZINC000245297269 572226682 /nfs/dbraw/zinc/22/66/82/572226682.db2.gz SJUQBTKRFGXBGO-MZBPFBBFSA-N 0 0 539.801 6.187 50 30 KKEARN CCC(C)(C)[C@@H]1C/C(=C\c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1 ZINC000245310694 572228867 /nfs/dbraw/zinc/22/88/67/572228867.db2.gz JXEBIDDKSOVEPW-DCHPAVENSA-N 0 0 502.290 8.094 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)C[C@](O)(c2ccc3ccccc3c2)[C@@H](C(=O)c2ccc3ccccc3c2)[C@H]1c1ccc(Br)cc1 ZINC000247822126 572245658 /nfs/dbraw/zinc/24/56/58/572245658.db2.gz ILUSSOSGMGCMHT-FZHQEFSESA-N 0 0 773.521 9.859 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(Br)cc1 ZINC000247831675 572245706 /nfs/dbraw/zinc/24/57/06/572245706.db2.gz LJSMEECSWXFREB-BVXNIFABSA-N 0 0 622.313 6.154 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000247870437 572247308 /nfs/dbraw/zinc/24/73/08/572247308.db2.gz ZCTCKCYSEVAWMW-BVXNIFABSA-N 0 0 588.414 5.300 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)NC(=O)[C@H]3N3[C@H](c4ccc(OCCCCCCCC)cc4)[C@@H]4C(=O)NC(=O)[C@@H]4N23)cc1 ZINC000248240610 572256905 /nfs/dbraw/zinc/25/69/05/572256905.db2.gz DTWSMNPTOKCYFZ-LTXFGDSMSA-N 0 0 658.840 5.776 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C(C)(C)C)[C@H]1c1ccc(Br)cc1 ZINC000248252706 572257233 /nfs/dbraw/zinc/25/72/33/572257233.db2.gz JPGIDCWZSUFWRB-ANAFOTAVSA-N 0 0 507.428 5.505 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C(C)(C)C)[C@H]1c1ccc(Br)cc1 ZINC000248252707 572257235 /nfs/dbraw/zinc/25/72/35/572257235.db2.gz JPGIDCWZSUFWRB-GIRPNKPCSA-N 0 0 507.428 5.505 50 30 KKEARN C=C1O[C@]2(c3ccccc3)C(=C1C(C)=O)C(c1ccccc1)[C@H]1Sc3ccccc3N1[C@H]2C(=O)c1ccccc1 ZINC000252428266 572260547 /nfs/dbraw/zinc/26/05/47/572260547.db2.gz WAPSUYINEWONMB-BMPTZRATSA-N 0 0 541.672 7.432 50 30 KKEARN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000252428224 572260577 /nfs/dbraw/zinc/26/05/77/572260577.db2.gz VAEZLCHCFUMAGF-WGLAXHJDSA-N 0 0 500.595 6.167 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000252441139 572260858 /nfs/dbraw/zinc/26/08/58/572260858.db2.gz IBLOBTNDDZOBNZ-JSXYKOATSA-N 0 0 585.616 6.104 50 30 KKEARN C#CCOc1ccc2ccccc2c1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000252498112 572261820 /nfs/dbraw/zinc/26/18/20/572261820.db2.gz RECZMGDFCRJGTK-LJAQVGFWSA-N 0 0 561.688 5.101 50 30 KKEARN COc1ccc(Br)cc1/C=C1\C[C@@H](C)C/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000252516737 572262207 /nfs/dbraw/zinc/26/22/07/572262207.db2.gz WGGLZKRIXPJDJG-CYTZHPSJSA-N 0 0 506.234 6.695 50 30 KKEARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C#N)cc3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000252537264 572262873 /nfs/dbraw/zinc/26/28/73/572262873.db2.gz KUZBVNXKZZIUDL-UHFFFAOYSA-N 0 0 521.602 5.382 50 30 KKEARN CCCC[C@H]1SC(C)=NN1C(=Nc1nnc(C)s1)N1CCN(C(=Nc2nnc(C)s2)N2N=C(C)S[C@@H]2CCCC)CC1 ZINC000252588537 572266382 /nfs/dbraw/zinc/26/63/82/572266382.db2.gz ACNPSQNUHHEKEK-FGZHOGPDSA-N 0 0 648.958 6.096 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000252589340 572266479 /nfs/dbraw/zinc/26/64/79/572266479.db2.gz AJBIDPGWUXFFJB-ZNXDMMNUSA-N 0 0 545.664 7.340 50 30 KKEARN CC(=O)c1cccc(N=C2c3ccccc3C(SC3=C(c4ccccc4)C(=Nc4cccc(C(C)=O)c4)c4ccccc43)=C2c2ccccc2)c1 ZINC000252589818 572266508 /nfs/dbraw/zinc/26/65/08/572266508.db2.gz ANLHIMPBSPHBTI-UHFFFAOYSA-N 0 0 676.841 11.531 50 30 KKEARN Cc1nn(-c2ccccc2)c(N=Cc2cc(Br)ccc2O)c1-c1cccc(Br)c1 ZINC000252591619 572266634 /nfs/dbraw/zinc/26/66/34/572266634.db2.gz BBJOGPZHQBSKQO-UHFFFAOYSA-N 0 0 511.217 6.829 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252591155 572266672 /nfs/dbraw/zinc/26/66/72/572266672.db2.gz AYBWPKYDULKECL-BMIZSLGGSA-N 0 0 580.622 7.867 50 30 KKEARN CCc1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000252593877 572266743 /nfs/dbraw/zinc/26/67/43/572266743.db2.gz BNUSXBSOMXEZHQ-LBURZNFVSA-N 0 0 527.580 6.111 50 30 KKEARN c1c(-c2cccc3ccccc32)[nH]c(N=C2N=C(c3cccc4ccccc43)C=C2c2ccccc2)c1-c1ccccc1 ZINC000252592420 572266807 /nfs/dbraw/zinc/26/68/07/572266807.db2.gz BFINTJHPVNLUHJ-UHFFFAOYSA-N 0 0 549.677 10.272 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1ccccc1Cl ZINC000252593026 572266819 /nfs/dbraw/zinc/26/68/19/572266819.db2.gz BIAYQJPCBARAHL-UHFFFAOYSA-N 0 0 543.119 6.263 50 30 KKEARN COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Br)cc2)cc1 ZINC000252595321 572266875 /nfs/dbraw/zinc/26/68/75/572266875.db2.gz BZJHFXUBCREATC-UHFFFAOYSA-N 0 0 642.419 5.221 50 30 KKEARN Cc1ccc(NC(=N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(=N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)Nc2ccc(C)cc2)cc1 ZINC000252595009 572266923 /nfs/dbraw/zinc/26/69/23/572266923.db2.gz BXDOCGKLOGOSEV-WAACYZFNSA-N 0 0 542.856 9.164 50 30 KKEARN COC(=O)COc1ccccc1/C=C1/SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252595792 572267002 /nfs/dbraw/zinc/26/70/02/572267002.db2.gz CDQFYFJATCSYOT-RCALMMMNSA-N 0 0 511.603 5.566 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000252596576 572267020 /nfs/dbraw/zinc/26/70/20/572267020.db2.gz CKSXDEQULRCQEQ-RCALMMMNSA-N 0 0 515.635 5.953 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccc(Br)cc3)N(c3ccccc3)C1=O)S2 ZINC000252596544 572267061 /nfs/dbraw/zinc/26/70/61/572267061.db2.gz CKFVXMAJEWIHRQ-APPJTMTASA-N 0 0 524.465 6.636 50 30 KKEARN Cc1c(NC(=O)CSc2nc3ccc(N=Cc4cc(Br)ccc4O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000252600244 572267230 /nfs/dbraw/zinc/26/72/30/572267230.db2.gz DPRFHBOVOJABIW-UHFFFAOYSA-N 0 0 608.543 6.044 50 30 KKEARN O=c1c(C=NN=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)coc2ccccc21 ZINC000252602108 572267499 /nfs/dbraw/zinc/26/74/99/572267499.db2.gz FFNWNDOQEQIPOG-UHFFFAOYSA-N 0 0 527.609 7.197 50 30 KKEARN CCCCCCOc1ccc(C(CCCCCC(=NO)c2ccc(OCCCCCC)cc2)=NO)cc1 ZINC000252602224 572267529 /nfs/dbraw/zinc/26/75/29/572267529.db2.gz FGPLZFKYAPGZHY-UHFFFAOYSA-N 0 0 510.719 8.612 50 30 KKEARN O=[N+]([O-])c1ccc(C=Nc2cc(N=Cc3ccc([N+](=O)[O-])cc3)c(OCC(F)(F)F)cc2OCC(F)(F)F)cc1 ZINC000252602092 572267532 /nfs/dbraw/zinc/26/75/32/572267532.db2.gz FFHQWJRGHCUGRG-UHFFFAOYSA-N 0 0 570.402 6.886 50 30 KKEARN Cc1ccc(OCCn2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c3ccccc32)c(C)c1 ZINC000252603482 572267630 /nfs/dbraw/zinc/26/76/30/572267630.db2.gz FSBSGVSRFZYDEN-UHFFFAOYSA-N 0 0 552.727 5.949 50 30 KKEARN CCc1ccc(N=C2S/C(=C/c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252603945 572267682 /nfs/dbraw/zinc/26/76/82/572267682.db2.gz FVHPJEAQJPNWFA-RTHQEFLWSA-N 0 0 535.463 7.111 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000252606580 572267812 /nfs/dbraw/zinc/26/78/12/572267812.db2.gz GTNLPNPCHPHYET-UHFFFAOYSA-N 0 0 596.264 8.543 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1c(F)cccc1Cl ZINC000252605860 572267843 /nfs/dbraw/zinc/26/78/43/572267843.db2.gz GNNYEFUQMXXBMU-KMFRLAEBSA-N 0 0 545.035 7.875 50 30 KKEARN Cc1c(N=C2S/C(=C\c3ccc(C)cc3)C(=O)N2N=Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252608118 572267908 /nfs/dbraw/zinc/26/79/08/572267908.db2.gz HGSWAQNCLJTNJC-VEFFHIGYSA-N 0 0 521.646 5.739 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC ZINC000252608343 572268100 /nfs/dbraw/zinc/26/81/00/572268100.db2.gz HJMMTZPJKMTGKB-NUPZHTTHSA-N 0 0 515.429 5.110 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1cccc2ccccc21 ZINC000252611077 572268307 /nfs/dbraw/zinc/26/83/07/572268307.db2.gz IHACGQYZFJNBDR-UHFFFAOYSA-N 0 0 537.668 5.649 50 30 KKEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252611189 572268308 /nfs/dbraw/zinc/26/83/08/572268308.db2.gz IHFWDPOOPHKHCU-UHFFFAOYSA-N 0 0 593.560 6.422 50 30 KKEARN COc1cccc(-c2nc3cc(N=Cc4c(O)c(OC)cc(Br)c4Br)ccc3o2)c1 ZINC000252615470 572268527 /nfs/dbraw/zinc/26/85/27/572268527.db2.gz JSSRPBHOGIBZFZ-UHFFFAOYSA-N 0 0 532.188 6.493 50 30 KKEARN Cc1cccc(C)c1Nc1cc2c(ccc(Br)c2N=Cc2cc(Br)ccc2O)o1 ZINC000252615834 572268676 /nfs/dbraw/zinc/26/86/76/572268676.db2.gz JVRNXJKHFHBXOP-UHFFFAOYSA-N 0 0 514.217 7.774 50 30 KKEARN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1N=Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000252617022 572268810 /nfs/dbraw/zinc/26/88/10/572268810.db2.gz KKPPBHAHYDKKNR-UHFFFAOYSA-N 0 0 524.436 7.436 50 30 KKEARN Cc1cc(-c2ccc(N=Cc3c(O)ccc4ccccc43)c(C)c2)ccc1N=Cc1c(O)ccc2ccccc21 ZINC000252616768 572268863 /nfs/dbraw/zinc/26/88/63/572268863.db2.gz KEYZZKYBKUHHMQ-UHFFFAOYSA-N 0 0 520.632 9.189 50 30 KKEARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=Nc1ccc(OC)cc1 ZINC000252618394 572269106 /nfs/dbraw/zinc/26/91/06/572269106.db2.gz LFSXNZHFSJNBKX-FSDAICMFSA-N 0 0 500.451 7.033 50 30 KKEARN COc1cccc2oc(=O)c(C(C)=NN=C3SC(=Nc4ccccc4)C(=Nc4ccccc4)N3c3ccccc3)cc12 ZINC000252618093 572269140 /nfs/dbraw/zinc/26/91/40/572269140.db2.gz LDRNNPUXNMSYPG-UHFFFAOYSA-N 0 0 571.662 7.595 50 30 KKEARN Cc1cccc(N=Cc2cc(Br)c(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C ZINC000252618878 572269152 /nfs/dbraw/zinc/26/91/52/572269152.db2.gz LKMPSYBEKOSHLE-UWIFBWCGSA-N 0 0 558.226 7.106 50 30 KKEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000252619869 572269238 /nfs/dbraw/zinc/26/92/38/572269238.db2.gz LTIKXEJUGTXCBY-ACKOIUSHSA-N 0 0 605.543 8.707 50 30 KKEARN O=C(Nc1ccccc1)[C@@]1(c2ccccc2)C(=C(Nc2ccccc2)c2ccccc2)C(=O)C(=O)N1c1ccccc1 ZINC000252618965 572269264 /nfs/dbraw/zinc/26/92/64/572269264.db2.gz LLPVJINYXSKAHI-PSXMRANNSA-N 0 0 549.630 7.201 50 30 KKEARN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000252620185 572269362 /nfs/dbraw/zinc/26/93/62/572269362.db2.gz LYZJXEBPFWBFLY-TXJNQURGSA-N 0 0 527.715 7.640 50 30 KKEARN Cc1ccc(C)c(N=C2S/C(=C/c3cc4c(cc3Br)OCO4)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252620175 572269373 /nfs/dbraw/zinc/26/93/73/572269373.db2.gz LYXGNSDEOMXWGR-FJSKGQAGSA-N 0 0 535.463 7.220 50 30 KKEARN COc1cc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)ccc1OC(=O)c1ccccc1Cl ZINC000252620498 572269400 /nfs/dbraw/zinc/26/94/00/572269400.db2.gz MEZWBXMSIKYZSK-UHFFFAOYSA-N 0 0 643.264 8.385 50 30 KKEARN C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1ccc(Br)cc1Br ZINC000252620460 572269419 /nfs/dbraw/zinc/26/94/19/572269419.db2.gz MEMVGNDSJQTAQC-SFHVURJKSA-N 0 0 551.304 5.975 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/Sc3c(ccc4ccccc34)N2CC)SC1=Nc1ccc(Oc2ccccc2)cc1 ZINC000252621575 572269571 /nfs/dbraw/zinc/26/95/71/572269571.db2.gz NBVCFKHHABLIID-JPEUJOAGSA-N 0 0 549.721 8.572 50 30 KKEARN O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1 ZINC000252621994 572269584 /nfs/dbraw/zinc/26/95/84/572269584.db2.gz NMCAHAWBSXQRNK-ZKLMFFBASA-N 0 0 531.464 8.381 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000252621559 572269587 /nfs/dbraw/zinc/26/95/87/572269587.db2.gz NBJLSZRBMPEEGL-UHFFFAOYSA-N 0 0 554.611 5.547 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000252621478 572269590 /nfs/dbraw/zinc/26/95/90/572269590.db2.gz MZIKOEZYYLYTIR-UHFFFAOYSA-N 0 0 641.514 5.131 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3ccc(Br)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000252622216 572269682 /nfs/dbraw/zinc/26/96/82/572269682.db2.gz NQVJHTGXFPJEJJ-UHFFFAOYSA-N 0 0 556.512 6.591 50 30 KKEARN Cc1ccc(N=C2S/C(=C3/c4cc(Br)cc(Br)c4N(C)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252622464 572269721 /nfs/dbraw/zinc/26/97/21/572269721.db2.gz NVVQZFGVLFMZRE-LDIVJRCWSA-N 0 0 625.386 7.600 50 30 KKEARN COc1cc(Br)cc(/C=C2/SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)c1O ZINC000252622279 572269783 /nfs/dbraw/zinc/26/97/83/572269783.db2.gz NRNYTFISFWOCDK-VHKQKKMJSA-N 0 0 537.479 7.206 50 30 KKEARN CCOc1cc(Br)cc(/C=C2/SC(=Nc3ccccc3CC)N(c3ccccc3CC)C2=O)c1O ZINC000252622254 572269807 /nfs/dbraw/zinc/26/98/07/572269807.db2.gz NRIJIEJNSHUVSH-CQQVBEJESA-N 0 0 551.506 7.487 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3cc(Br)ccc3O)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000252622896 572269857 /nfs/dbraw/zinc/26/98/57/572269857.db2.gz OFFLJPUHSNCXIE-UHFFFAOYSA-N 0 0 588.508 8.145 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)ccc3OCc3ccccc3)nc(NCc3ccco3)n2)cc1 ZINC000252623607 572269979 /nfs/dbraw/zinc/26/99/79/572269979.db2.gz OVGORKVKXJEHKP-UHFFFAOYSA-N 0 0 600.477 6.616 50 30 KKEARN Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)o1 ZINC000252623514 572270017 /nfs/dbraw/zinc/27/00/17/572270017.db2.gz OTEWRSBWBZYOFT-UHFFFAOYSA-N 0 0 505.361 7.844 50 30 KKEARN CCCCN(CCCC)c1nc(N=NCc2ccc(OC)c(OC)c2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252624165 572270141 /nfs/dbraw/zinc/27/01/41/572270141.db2.gz PIAWZKDHXPIIDX-UHFFFAOYSA-N 0 0 522.610 5.393 50 30 KKEARN Clc1ccc(SCCOc2cccc(C=NN=c3cc(N4CCCC4)[nH]c(N4CCCC4)n3)c2)cc1 ZINC000252624301 572270174 /nfs/dbraw/zinc/27/01/74/572270174.db2.gz PLCVVBIHOYUUGF-UHFFFAOYSA-N 0 0 523.106 5.948 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3ccccc3OC)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000252625008 572270273 /nfs/dbraw/zinc/27/02/73/572270273.db2.gz QAYOFIMJSNTWLH-IIXSPSHISA-N 0 0 530.602 5.857 50 30 KKEARN COc1ccc(N=C2S/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252625147 572270372 /nfs/dbraw/zinc/27/03/72/572270372.db2.gz QEGOPVMEOWNOJB-GYIDYNKJSA-N 0 0 526.662 6.607 50 30 KKEARN CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=Nc1ccc(Br)cc1 ZINC000252625231 572270374 /nfs/dbraw/zinc/27/03/74/572270374.db2.gz QFSUTPWDISZMPM-MLIIZYPLSA-N 0 0 572.572 8.284 50 30 KKEARN CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1 ZINC000252625331 572270430 /nfs/dbraw/zinc/27/04/30/572270430.db2.gz QHPKMQNJSCWBFH-UHFFFAOYSA-N 0 0 531.620 6.783 50 30 KKEARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(Br)c4)c4ccccc4C3c3ccccc32)cc1 ZINC000252625603 572270459 /nfs/dbraw/zinc/27/04/59/572270459.db2.gz QNNKLGKXXUDCHC-FTYRGNONSA-N 0 0 563.451 6.411 50 30 KKEARN CCCCCCCCCCCCNC(=O)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000252626219 572270501 /nfs/dbraw/zinc/27/05/01/572270501.db2.gz QYPSIWBBAILGPA-HWRPZNHGSA-N 0 0 521.739 6.269 50 30 KKEARN CCOc1cc(/C=C2/SC(=Nc3ccccc3CC)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000252626129 572270586 /nfs/dbraw/zinc/27/05/86/572270586.db2.gz QXDGUBBGAMHSDT-PZYXYUMTSA-N 0 0 516.619 6.189 50 30 KKEARN CCOc1cc(/C=C2\SC(=Nc3ccccc3CC)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000252626128 572270588 /nfs/dbraw/zinc/27/05/88/572270588.db2.gz QXDGUBBGAMHSDT-MXATWIOTSA-N 0 0 516.619 6.189 50 30 KKEARN COc1ccc(-c2nc3cc(N=Cc4ccc(-c5cccc(Cl)c5Cl)o4)ccc3o2)cc1Br ZINC000252627030 572270688 /nfs/dbraw/zinc/27/06/88/572270688.db2.gz RKMWBKBHDGDXEB-UHFFFAOYSA-N 0 0 542.216 8.583 50 30 KKEARN COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000252627891 572270809 /nfs/dbraw/zinc/27/08/09/572270809.db2.gz SDMJLFCCANDCLS-PPTQLFOTSA-N 0 0 509.425 6.589 50 30 KKEARN O=c1c2ccccc2nc(-c2cccc(I)c2)n1N=Cc1cccc(I)c1 ZINC000252627433 572270814 /nfs/dbraw/zinc/27/08/14/572270814.db2.gz RTYGHDNVZDPFDX-UHFFFAOYSA-N 0 0 577.163 5.155 50 30 KKEARN Cc1c(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000252628294 572270934 /nfs/dbraw/zinc/27/09/34/572270934.db2.gz SMUHMZWMXNZNEX-NGNOOAMGSA-N 0 0 509.650 7.684 50 30 KKEARN COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=NC(=O)c1ccccc1 ZINC000252628691 572271033 /nfs/dbraw/zinc/27/10/33/572271033.db2.gz SVOXSJYUAAEDCR-NVHOMACKSA-N 0 0 504.564 5.038 50 30 KKEARN CCc1ccccc1N=C1S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1CC ZINC000252628822 572271047 /nfs/dbraw/zinc/27/10/47/572271047.db2.gz SYNPXLVISFGRJW-LAGGTETHSA-N 0 0 501.564 6.257 50 30 KKEARN O=C(NCc1ccccc1)c1c2c(sc1N=Cc1c(OCc3ccccc3F)ccc3ccccc31)CCCC2 ZINC000252631985 572271451 /nfs/dbraw/zinc/27/14/51/572271451.db2.gz VNRQJUCSLLKXAE-UHFFFAOYSA-N 0 0 548.683 8.179 50 30 KKEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3cc(OCC)c(OCc4ccccc4)cc3Br)C(=O)N2C)cc1 ZINC000252631347 572271497 /nfs/dbraw/zinc/27/14/97/572271497.db2.gz VJUKVFNMGUHKGP-JWJSUCBNSA-N 0 0 595.515 6.837 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1cccc2ccccc21 ZINC000252632650 572271585 /nfs/dbraw/zinc/27/15/85/572271585.db2.gz VVXKGEQBQSMCBR-UHFFFAOYSA-N 0 0 602.537 6.021 50 30 KKEARN CCCCOc1ccc(Br)cc1/C=C1/SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O ZINC000252632422 572271605 /nfs/dbraw/zinc/27/16/05/572271605.db2.gz VTBHVEBVKDOFPZ-YMTOHSTDSA-N 0 0 522.468 6.827 50 30 KKEARN COc1ccc(-c2oc(N=Cc3cc(Br)ccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000252634994 572271728 /nfs/dbraw/zinc/27/17/28/572271728.db2.gz WSUQECQZFOIGPH-UHFFFAOYSA-N 0 0 503.352 6.721 50 30 KKEARN CCCCCCN1C(=O)[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1ccccc1 ZINC000252636141 572271881 /nfs/dbraw/zinc/27/18/81/572271881.db2.gz XFBFJGHZFLLGMK-FQEVSTJZSA-N 0 0 511.997 6.899 50 30 KKEARN ClC(=Nc1ccc(Br)cc1)C(Cl)(Cl)C(Cl)=Nc1ccc(Br)cc1 ZINC000252635929 572271890 /nfs/dbraw/zinc/27/18/90/572271890.db2.gz XCGHAQOYVNICMV-UHFFFAOYSA-N 0 0 517.863 7.623 50 30 KKEARN CCCC[C@H]1SC(=NN=Cc2cc(C)ccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252637801 572272100 /nfs/dbraw/zinc/27/21/00/572272100.db2.gz XWJCFEYDAIPLBZ-GOSISDBHSA-N 0 0 603.358 5.399 50 30 KKEARN Cc1cccc(N=C2S/C(=C/c3cn(Cc4ccccc4F)c4ccc(Br)cc34)C(=O)N2C2CCCCC2)c1C ZINC000252640402 572272192 /nfs/dbraw/zinc/27/21/92/572272192.db2.gz YTFSJISGKMYNRN-HMTNZHQPSA-N 0 0 616.600 9.145 50 30 KKEARN CN(N=Cc1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000252640465 572272209 /nfs/dbraw/zinc/27/22/09/572272209.db2.gz YUNIKACVZVUXHP-UHFFFAOYSA-N 0 0 538.243 6.512 50 30 KKEARN O=C1/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)SC(=Nc2ccccc2)N1C1CCCC1 ZINC000252641167 572272351 /nfs/dbraw/zinc/27/23/51/572272351.db2.gz ZAUZYARNHCGTEH-MDXKUQDESA-N 0 0 527.693 8.389 50 30 KKEARN CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252641561 572272373 /nfs/dbraw/zinc/27/23/73/572272373.db2.gz ZEWMKXFRQJXFOU-VOIZFXIKSA-N 0 0 581.488 6.447 50 30 KKEARN COc1ccc(C=NN=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000252643181 572272520 /nfs/dbraw/zinc/27/25/20/572272520.db2.gz ZTDPTOGFSYXNGF-RVSQJRKBSA-N 0 0 553.644 5.013 50 30 KKEARN C=CCOc1c(Br)cc(C=c2sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000252666111 572272791 /nfs/dbraw/zinc/27/27/91/572272791.db2.gz ANPXWSONTYNUBL-HHHXNRCGSA-N 0 0 713.289 7.171 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000252669473 572275023 /nfs/dbraw/zinc/27/50/23/572275023.db2.gz HQCOPNNCNJLXAW-SSEXGKCCSA-N 0 0 646.596 6.679 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(C)n(-c5sc6c(c5C#N)CCCC6)c4C)c(=O)n32)c(OC)c1 ZINC000252669791 572275284 /nfs/dbraw/zinc/27/52/84/572275284.db2.gz IRPRFTTWAFJRDA-UUWRZZSWSA-N 0 0 689.863 6.111 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252671106 572276547 /nfs/dbraw/zinc/27/65/47/572276547.db2.gz MRXJYITXCURKHD-NDEPHWFRSA-N 0 0 646.741 5.612 50 30 KKEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000252677102 572280516 /nfs/dbraw/zinc/28/05/16/572280516.db2.gz YDCDBTVYPJKZDG-HKBQPEDESA-N 0 0 624.832 6.141 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252677151 572280628 /nfs/dbraw/zinc/28/06/28/572280628.db2.gz YEDBFYWFGLSISY-NDEPHWFRSA-N 0 0 563.660 5.129 50 30 KKEARN O=c1c2c(nc(NN=Cc3ccc(Br)cc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000252679528 572281405 /nfs/dbraw/zinc/28/14/05/572281405.db2.gz NRSUSMDXPOVOOD-UHFFFAOYSA-N 0 0 525.450 6.476 50 30 KKEARN Brc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc(-c3ccccc3)c2c1 ZINC000252680063 572281445 /nfs/dbraw/zinc/28/14/45/572281445.db2.gz VCHPRIKDMKQVGF-UHFFFAOYSA-N 0 0 545.444 7.358 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000253371328 572282171 /nfs/dbraw/zinc/28/21/71/572282171.db2.gz AWQGCAORDVFYKY-HXLKRRFRSA-N 0 0 552.630 6.233 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000253377073 572282456 /nfs/dbraw/zinc/28/24/56/572282456.db2.gz VXPJRFYCQQVTRA-MXMCVKMKSA-N 0 0 570.620 6.372 50 30 KKEARN CC(C)(C)C(=O)OC[C@@H]1O[C@H](/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000253388638 572283026 /nfs/dbraw/zinc/28/30/26/572283026.db2.gz OZQTUWNTLXDEJB-UFRZADDTSA-N 0 0 648.750 5.202 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000253389784 572283447 /nfs/dbraw/zinc/28/34/47/572283447.db2.gz FPXSAVMIPWIPHN-LEWVKQBFSA-N 0 0 617.496 5.799 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000253389786 572283452 /nfs/dbraw/zinc/28/34/52/572283452.db2.gz FPXSAVMIPWIPHN-ZRDZJBIISA-N 0 0 617.496 5.799 50 30 KKEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)CC(=O)O3 ZINC000253394744 572283740 /nfs/dbraw/zinc/28/37/40/572283740.db2.gz AFXZNHGVWQAPOE-VNIQIGACSA-N 0 0 520.537 5.893 50 30 KKEARN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1 ZINC000253412153 572287798 /nfs/dbraw/zinc/28/77/98/572287798.db2.gz QARCHDBNGLTCEN-GDBVMPFBSA-N 0 0 548.591 6.383 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000253487366 572290489 /nfs/dbraw/zinc/29/04/89/572290489.db2.gz JFTBUCCUCYHBDF-LYBRAKKWSA-N 0 0 633.498 5.989 50 30 KKEARN O=C(C1=C2C(O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000253487622 572290667 /nfs/dbraw/zinc/29/06/67/572290667.db2.gz MTAVHCRTRCFZBT-RYTSNQFKSA-N 0 0 603.472 5.980 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(Br)cc2)c(C#N)c2c1[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000253487583 572290672 /nfs/dbraw/zinc/29/06/72/572290672.db2.gz LXHNKNGJUIZBMK-XKQTXGRDSA-N 0 0 591.615 7.337 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000253487891 572291038 /nfs/dbraw/zinc/29/10/38/572291038.db2.gz SRROSFRNULPCOD-ACZXLBTNSA-N 0 0 569.592 5.710 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000253487990 572291149 /nfs/dbraw/zinc/29/11/49/572291149.db2.gz VEJSMGTXERMBJZ-ZGFYEYRMSA-N 0 0 586.047 6.224 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Oc5ccccc5C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497621 572292136 /nfs/dbraw/zinc/29/21/36/572292136.db2.gz ZMWGTNHAGAIBGN-FQZSYWNPSA-N 0 0 520.798 10.209 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](CC)Oc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253497522 572292147 /nfs/dbraw/zinc/29/21/47/572292147.db2.gz HTIKRWUNALZQMS-UIEUNMHWSA-N 0 0 564.920 10.802 50 30 KKEARN COc1cc(Br)cc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000253498215 572292390 /nfs/dbraw/zinc/29/23/90/572292390.db2.gz TVDJZFBATLLPAM-JGFVMHRVSA-N 0 0 518.536 6.746 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5c[nH]c6ccccc56)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000253498220 572292395 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VQQYMPGBTGRFNS-HSKNAQPBSA-N 0 0 526.377 7.143 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)C(F)(F)F)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000008863802 1071159051 /nfs/dbraw/zinc/15/90/51/1071159051.db2.gz SURRITGOIOIUCH-UBFVSLLYSA-N 0 0 503.911 6.540 50 30 KKEARN CCCC/N=C(/C=C1/SN(c2cccc3ccccc32)C(=S)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000096022553 1071160207 /nfs/dbraw/zinc/16/02/07/1071160207.db2.gz ZBRMTAKBASFZKB-JEYMVBLRSA-N 0 0 562.591 9.537 50 30 KKEARN CCCCCCCCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)NC1=O ZINC000245263606 1071161900 /nfs/dbraw/zinc/16/19/00/1071161900.db2.gz AZWKIKCNAJRYEE-MHZLTWQESA-N 0 0 571.809 7.204 50 30 KKEARN CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000616570764 1071165283 /nfs/dbraw/zinc/16/52/83/1071165283.db2.gz CJQGLLUJIVNREL-HKBQPEDESA-N 0 0 581.867 8.709 50 30 KKEARN O=C(/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)Oc1ccc(NC(=O)/C=C\c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1 ZINC000150572210 1071174136 /nfs/dbraw/zinc/17/41/36/1071174136.db2.gz FNZPYMZHLLLQSB-JLBGHTNLSA-N 0 0 701.460 8.701 50 30 KKEARN CCOc1ccc(/C=C\C2=Cc3c(C#N)c(NC(=O)COC(=O)[C@H](CC(C)C)N4C(=O)c5ccccc5C4=O)sc3C(C)(C)C2)cc1 ZINC000150623192 1071175760 /nfs/dbraw/zinc/17/57/60/1071175760.db2.gz UFHWLRATZLTHKV-NRESKRBGSA-N 0 0 651.785 6.989 50 30 KKEARN COc1cc(C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000225492854 1071184142 /nfs/dbraw/zinc/18/41/42/1071184142.db2.gz UPCBFWBUQDBUOZ-GRSHGNNSSA-N 0 0 532.394 6.256 50 30 KKEARN COc1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000033480281 1071197507 /nfs/dbraw/zinc/19/75/07/1071197507.db2.gz YKNLJIXDDQSKQX-YBEGLDIGSA-N 0 0 511.662 7.582 50 30 KKEARN CCCCCC1=C(/C=C\c2ccc(Br)cc2)C/C(=C/c2ccc(Br)cc2)C1=O ZINC000033645855 1071200703 /nfs/dbraw/zinc/20/07/03/1071200703.db2.gz ZZKGQRPZNDQWGP-AZWCISCYSA-N 0 0 500.274 8.158 50 30 KKEARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)/C=C\c1ccc(OCC#N)c(OC)c1)oc1ccccc12 ZINC000033657716 1071200714 /nfs/dbraw/zinc/20/07/14/1071200714.db2.gz NQGYWEBHOZQEAP-CCCPALQASA-N 0 0 500.507 5.089 50 30 KKEARN COc1ccc(-c2csc(=Nc3ccc(C(C)C)cc3)n2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000263622432 1071226506 /nfs/dbraw/zinc/22/65/06/1071226506.db2.gz YTNSFGYWBSLOHV-UHFFFAOYSA-N 0 0 538.629 7.631 50 30 KKEARN C=C(Cl)COc1cc(CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@H]2CCCCNC2=O)ccc1OC ZINC000012279962 1071240067 /nfs/dbraw/zinc/24/00/67/1071240067.db2.gz DBTNRZBVHIREBJ-DEOSSOPVSA-N 0 0 510.034 5.236 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@H](C)C2)[C@@H]1c1ccc(OC)c2ccccc21 ZINC000604404027 1071268404 /nfs/dbraw/zinc/26/84/04/1071268404.db2.gz ILGPFUUGEJVSPN-ZOASDHRMSA-N 0 0 604.055 5.530 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(Br)c3cccnc23)C[C@H]1C ZINC000604404109 1071269179 /nfs/dbraw/zinc/26/91/79/1071269179.db2.gz JQABJDIGTMMLNY-YDBLSZJJSA-N 0 0 543.801 5.587 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N[C@@H](CCSC)c2nc3ccccc3[nH]2)C[C@H]1C ZINC000604405721 1071273193 /nfs/dbraw/zinc/27/31/93/1071273193.db2.gz UYCFHZPJNWUIJL-FDPAEGIPSA-N 0 0 542.057 5.124 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]n1C(C)C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000824567481 1071282943 /nfs/dbraw/zinc/28/29/43/1071282943.db2.gz UWQLVRCDLIYZLB-KPCKUBKCSA-N 0 0 640.089 5.301 50 30 KKEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCNc2ccnc3cc(Cl)ccc32)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC000824596102 1071283695 /nfs/dbraw/zinc/28/36/95/1071283695.db2.gz MAMIQXKNIOZGJX-IWZMQSCNSA-N 0 0 736.605 6.410 50 30 KKEARN COc1ccc(CCOc2ccc([C@H]3c4c(=O)[nH]c(=O)n(C)c4NC4=C3C(=O)[C@@]3(Oc5c(c(OC)cc(OC)c5Cl)C3=O)[C@H](C)C4)cc2OC)cc1 ZINC000824668707 1071284364 /nfs/dbraw/zinc/28/43/64/1071284364.db2.gz AVZVCTAFBUBEAH-NHNKNOHYSA-N 0 0 730.170 5.230 50 30 KKEARN COc1ccc2c(c1)[C@@H](CCNC(=O)C[C@H](c1ccc(O)c(OC)c1)C1C(=O)C[C@@H](C)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)C1=O)C(=O)N2 ZINC000824751054 1071285997 /nfs/dbraw/zinc/28/59/97/1071285997.db2.gz NBOQESPYXLVXRR-UCQAPYCXSA-N 0 0 721.159 5.231 50 30 KKEARN COc1ccc2[nH]cc(CCNC(=O)C[C@H](c3ccc(O)c(OC)c3)C3C(=O)C[C@@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)c2c1 ZINC000824758554 1071286090 /nfs/dbraw/zinc/28/60/90/1071286090.db2.gz SIANUXCNGWBTAC-HNAARTIWSA-N 0 0 705.160 5.829 50 30 KKEARN C[C@]1(O)CC(N=Nc2ccccc2)[C@H](C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000217725024 1071291952 /nfs/dbraw/zinc/29/19/52/1071291952.db2.gz ZLIAJLSHRXEVHA-AVKCKFHSSA-N 0 0 607.663 6.020 50 30 KKEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OCCc1ccc2c(c1)CCO2 ZINC000217878712 1071292805 /nfs/dbraw/zinc/29/28/05/1071292805.db2.gz BJUMSAAGBHKMOB-JOCHJYFZSA-N 0 0 512.558 5.562 50 30 biogenic KKEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)CC(=O)O3 ZINC000217939009 1071293837 /nfs/dbraw/zinc/29/38/37/1071293837.db2.gz WVRVLVPECKTFRC-OXOGFPMKSA-N 0 0 531.564 5.695 50 30 biogenic KKEARN N#Cc1c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC=CC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 ZINC000102924704 1071306046 /nfs/dbraw/zinc/30/60/46/1071306046.db2.gz SULARUBCRYWVLZ-AQLJSXSMSA-N 0 0 587.554 5.813 50 30 KKEARN Cc1cc(C=NN=C2NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccccc1F ZINC000886014927 1071315265 /nfs/dbraw/zinc/31/52/65/1071315265.db2.gz HEWZFYKWVFREAA-OAQYLSRUSA-N 0 0 502.587 5.712 50 30 KKEARN CCn1c2ccccc2c2cc(C=NN=CC3=C(N4CCOCC4)/C(=C\c4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000886013271 1071315297 /nfs/dbraw/zinc/31/52/97/1071315297.db2.gz HWHKMOHIWJRCJE-DYCGLDKGSA-N 0 0 533.632 6.591 50 30 KKEARN Cc1c(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000003299340 1071318959 /nfs/dbraw/zinc/31/89/59/1071318959.db2.gz QLMNOMGYKZGGMF-WSDLNYQXSA-N 0 0 556.631 7.389 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C(/N=C2C=CC(=N/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3)C=C2)c2ccccc2)cc1 ZINC000102936214 1071321232 /nfs/dbraw/zinc/32/12/32/1071321232.db2.gz YDFMYUFOICJSPB-XNTGMSLTSA-N 0 0 620.756 6.283 50 30 KKEARN COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000103083993 1071332871 /nfs/dbraw/zinc/33/28/71/1071332871.db2.gz DQBYTBAVOJKARA-QOCHGBHMSA-N 0 0 535.575 5.973 50 30 KKEARN O=C1/C(=C/c2ccc(N3NNC=C3c3ccc(Cl)cc3)cc2)CC/C1=C/c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000109754501 1071339799 /nfs/dbraw/zinc/33/97/99/1071339799.db2.gz MIEZCHYZPDTRMV-YNMZZMKLSA-N 0 0 617.540 7.899 50 30 KKEARN O=C1/C(=C/c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC/C1=C\c1ccc(N2NNC=C2c2ccc(Cl)cc2)cc1 ZINC000109754505 1071339984 /nfs/dbraw/zinc/33/99/84/1071339984.db2.gz MIEZCHYZPDTRMV-MKYUKRCKSA-N 0 0 617.540 7.899 50 30 KKEARN N#Cc1ccc(-c2csc(NP(=O)(/C=C(/Cl)c3ccccc3)/C=C(/Cl)c3ccccc3)n2)cc1 ZINC000110235449 1071340524 /nfs/dbraw/zinc/34/05/24/1071340524.db2.gz CGPSOWDXSNDFBR-WPHIWBHXSA-N 0 0 522.397 8.847 50 30 KKEARN O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3nc(N4CCCCCC4)[nH]c(N4CCCCCC4)n3)o2)c1 ZINC000829053687 1071340543 /nfs/dbraw/zinc/34/05/43/1071340543.db2.gz PIZZTMKPEHAULZ-ZXVVBBHZSA-N 0 0 504.595 5.247 50 30 KKEARN O=C1/C(=C/c2ccc(Br)cc2)CC(c2ccccc2)C/C1=C/c1ccc(Br)cc1 ZINC000003369319 1071342223 /nfs/dbraw/zinc/34/22/23/1071342223.db2.gz GDLYFTZHDXBHES-OQRYGUKSSA-N 0 0 508.253 7.825 50 30 KKEARN N#Cc1c(SCC(=O)c2ccc(Cl)cc2Cl)nc2c(c1-c1cccs1)CCC2=Cc1cccs1 ZINC000011852324 1072822033 /nfs/dbraw/zinc/82/20/33/1072822033.db2.gz AYECNNRNIVXRHA-PTNGSMBKSA-N 0 0 539.534 8.512 50 30 KKEARN COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2ccccc2C#N)cc1 ZINC000012653165 1072823859 /nfs/dbraw/zinc/82/38/59/1072823859.db2.gz FNVPOEKAGVYYQS-UZXYXVAJSA-N 0 0 517.585 6.033 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000034807553 1072824804 /nfs/dbraw/zinc/82/48/04/1072824804.db2.gz NYKJFAJCZQVNFK-PFONDFGASA-N 0 0 513.554 5.678 50 30 KKEARN Cc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 ZINC000034888430 1072825436 /nfs/dbraw/zinc/82/54/36/1072825436.db2.gz WGWQUYHFVVURLO-JJIBRWJFSA-N 0 0 513.460 7.890 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCCc1cccc(Cl)c1 ZINC000685945401 1072827314 /nfs/dbraw/zinc/82/73/14/1072827314.db2.gz KJUJGPGIMIIZJE-ZOFPKLQCSA-N 0 0 626.297 8.900 50 30 KKEARN CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)N(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000685945407 1072827496 /nfs/dbraw/zinc/82/74/96/1072827496.db2.gz LEJZZVJZMYGXIL-YAKCEDKFSA-N 0 0 643.862 6.508 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](F)[C@]34OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)NCc1ccc(C)cc1 ZINC000685945471 1072828410 /nfs/dbraw/zinc/82/84/10/1072828410.db2.gz TUQCAKXXVUBIJV-GCFSRJNDSA-N 0 0 591.852 8.512 50 30 KKEARN CCCCCCCCCC[C@@H]1S/C(=N/N=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)NC1=O ZINC000245265692 1072830830 /nfs/dbraw/zinc/83/08/30/1072830830.db2.gz HAJKSKCDZIVCMR-VWLOTQADSA-N 0 0 529.728 6.215 50 30 KKEARN CCCCCCCCCCCCCCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3cc(C)ccc3C)c2)NC1=O ZINC000245283707 1072831361 /nfs/dbraw/zinc/83/13/61/1072831361.db2.gz OIZCGIIFBSLQOA-WJOKGBTCSA-N 0 0 627.917 8.864 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095100559 1072832801 /nfs/dbraw/zinc/83/28/01/1072832801.db2.gz VFOFGHHOROTIDC-KCJUWKMLSA-N 0 0 639.180 7.517 50 30 KKEARN CCn1c2ccccc2c2cc(CN=Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])ccc21 ZINC000254341385 1072847449 /nfs/dbraw/zinc/84/74/49/1072847449.db2.gz PPRVRDZWBXKHDM-UHFFFAOYSA-N 0 0 513.579 5.969 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(-c4ccc(-c5ccccc5)cc4)csc3=NCCc3ccccc3)o2)cc1 ZINC000254368981 1072849307 /nfs/dbraw/zinc/84/93/07/1072849307.db2.gz NXMVGMMWDWIUAP-UHFFFAOYSA-N 0 0 570.674 8.077 50 30 KKEARN O=c1c2c(ncn1N=Cc1cccc([N+](=O)[O-])c1)sc(Sc1ccccc1[N+](=O)[O-])c2-c1ccccc1 ZINC000254385596 1072851046 /nfs/dbraw/zinc/85/10/46/1072851046.db2.gz QCKMVPCPOLARMN-UHFFFAOYSA-N 0 0 529.559 5.975 50 30 KKEARN COc1cc(-c2csc(=Nc3ccc(C)cc3C)n2N=Cc2ccc3ncccc3c2)cc(OC)c1OC ZINC000254429067 1072854862 /nfs/dbraw/zinc/85/48/62/1072854862.db2.gz SNRXNXKZCLIAEZ-UHFFFAOYSA-N 0 0 524.646 6.522 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C=C(C)NNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000254440284 1072855122 /nfs/dbraw/zinc/85/51/22/1072855122.db2.gz BZNYXFMUWFFBOX-UHFFFAOYSA-N 0 0 603.679 5.076 50 30 KKEARN CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3c(O)ccc4ccccc43)=C2N2CCOCC2)cc1 ZINC000254441143 1072855348 /nfs/dbraw/zinc/85/53/48/1072855348.db2.gz DSDBQTXIUYBBLL-IJPAXVOBSA-N 0 0 508.666 6.260 50 30 KKEARN c1ccc(C(=NN=C2CC(=NN=C(c3ccccc3)c3ccccc3)c3ccccc32)c2ccccc2)cc1 ZINC000254486506 1072857883 /nfs/dbraw/zinc/85/78/83/1072857883.db2.gz DWPHRMDTEUWWMN-UHFFFAOYSA-N 0 0 502.621 7.574 50 30 KKEARN COc1ccc(N=c2scc(-c3cc(OC)c(OC)c(OC)c3)n2N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000254511988 1072861201 /nfs/dbraw/zinc/86/12/01/1072861201.db2.gz FHPBEXJWBHEQTC-UHFFFAOYSA-N 0 0 564.576 5.003 50 30 KKEARN COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000254531910 1072862704 /nfs/dbraw/zinc/86/27/04/1072862704.db2.gz CDNLMTSBAORDTM-UHFFFAOYSA-N 0 0 526.431 5.829 50 30 KKEARN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1C=NN1CCN(c2ccc(C)cc2)CC1 ZINC000254558441 1072863817 /nfs/dbraw/zinc/86/38/17/1072863817.db2.gz IYHAYKBBWGMEAW-UHFFFAOYSA-N 0 0 524.719 6.406 50 30 KKEARN COc1ccccc1C=Nn1cnnc1S[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000254595390 1072866286 /nfs/dbraw/zinc/86/62/86/1072866286.db2.gz ZPFSMGSWVRMTJB-SXOMAYOGSA-N 0 0 541.658 5.189 50 30 KKEARN O=C(N=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1F ZINC000254696214 1072869749 /nfs/dbraw/zinc/86/97/49/1072869749.db2.gz JCJZKNCUSHIWCL-UHFFFAOYSA-N 0 0 622.644 6.853 50 30 KKEARN CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)c(C=NNC(=S)NCc2ccco2)[nH]c1-c1ccccc1 ZINC000254705654 1072871992 /nfs/dbraw/zinc/87/19/92/1072871992.db2.gz FZFPQGQEWTWTQM-UHFFFAOYSA-N 0 0 555.487 6.347 50 30 KKEARN CC[C@@H](C)c1ccc(N2Cc3ccccc3C2=NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000254704549 1072872004 /nfs/dbraw/zinc/87/20/04/1072872004.db2.gz CVPOCKQRJDBMMC-OAQYLSRUSA-N 0 0 503.668 5.838 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(/C=C2\SC(=Nc3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)cc1 ZINC000254824215 1072881605 /nfs/dbraw/zinc/88/16/05/1072881605.db2.gz JJPXICNLBCUGIQ-ZQFKEAADSA-N 0 0 563.739 8.574 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(/C=C2/SC(=Nc3ccc(SC(F)F)cc3)N(C3CCCC3)C2=O)cc1 ZINC000254824214 1072881758 /nfs/dbraw/zinc/88/17/58/1072881758.db2.gz JJPXICNLBCUGIQ-OCESLASKSA-N 0 0 563.739 8.574 50 30 KKEARN CCCCCN1c2ccccc2C(=NNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1=O ZINC000254823131 1072881794 /nfs/dbraw/zinc/88/17/94/1072881794.db2.gz GOKKSLIMCCSIRH-UHFFFAOYSA-N 0 0 535.626 5.365 50 30 KKEARN COc1ccc(N=C2S[C@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1 ZINC000254826661 1072882290 /nfs/dbraw/zinc/88/22/90/1072882290.db2.gz HGJYKBCAJGVDPQ-XMMPIXPASA-N 0 0 517.529 6.078 50 30 KKEARN Cc1cc(C2(c3ccc(N=C4c5ccccc5N(Cc5ccccc5)C4=O)c(C)c3)CCCCC2)ccc1N=C1c2ccccc2N(Cc2ccccc2)C1=O ZINC000254872942 1072887752 /nfs/dbraw/zinc/88/77/52/1072887752.db2.gz CHJSTPJKNGXIRB-UHFFFAOYSA-N 0 0 732.928 10.889 50 30 KKEARN Cc1ccc(S(=O)(=O)/N=C(/N=S(=O)(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000150342198 1072901961 /nfs/dbraw/zinc/90/19/61/1072901961.db2.gz PNGQFELUTSOXOI-URGPHPNLSA-N 0 0 632.399 7.242 50 30 KKEARN O=C(OCC(F)(F)[C@]1(F)C(F)(F)OC(F)(F)C1(F)F)c1ccc(C(=O)OCC(F)(F)[C@]2(F)C(F)(F)OC(F)(F)C2(F)F)cc1 ZINC000150406143 1072902320 /nfs/dbraw/zinc/90/23/20/1072902320.db2.gz NLVYXUMQSZIVAV-ZIAGYGMSSA-N 0 0 686.242 6.390 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2I)[C@H]1c1ccccc1 ZINC000229809069 1072911894 /nfs/dbraw/zinc/91/18/94/1072911894.db2.gz GFCJSGDWIPHTAE-ISJGIBHGSA-N 0 0 527.365 5.575 50 30 KKEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000070672387 290689172 /nfs/dbraw/zinc/68/91/72/290689172.db2.gz WXFMGCVRGSIXOB-APTIWFLNSA-N 0 0 560.772 5.451 50 30 biogenic KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000627226 193857857 /nfs/dbraw/zinc/85/78/57/193857857.db2.gz BCLSTSGIZJSSAG-DEOSSOPVSA-N 0 0 510.428 5.805 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000000648349 193865363 /nfs/dbraw/zinc/86/53/63/193865363.db2.gz KXRJSSADARZKCG-XNLAKEOASA-N 0 0 549.664 5.814 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000000648638 193865721 /nfs/dbraw/zinc/86/57/21/193865721.db2.gz UPBMLFYUOLYEQL-NRFANRHFSA-N 0 0 516.388 5.112 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000649066 193866458 /nfs/dbraw/zinc/86/64/58/193866458.db2.gz IUMLMLHBGSYXPO-NRUKRWIHSA-N 0 0 553.655 6.208 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019770394 193884679 /nfs/dbraw/zinc/88/46/79/193884679.db2.gz QYPCEJDCLIVNLB-OOWIMERYSA-N 0 0 523.629 6.199 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019798574 193884934 /nfs/dbraw/zinc/88/49/34/193884934.db2.gz FBXRCVPFHWSREI-DNOBIOAJSA-N 0 0 505.998 5.916 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000019804533 193885859 /nfs/dbraw/zinc/88/58/59/193885859.db2.gz QJVYDJLRJMJUDR-XMMPIXPASA-N 0 0 506.385 6.314 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(Br)cc3)N(C3CCCCC3)C1=O)S2 ZINC000100367630 193903850 /nfs/dbraw/zinc/90/38/50/193903850.db2.gz AFUAKYLOBGARCF-NPGCFZLRSA-N 0 0 530.513 6.765 50 30 KKEARN COc1ccc(/N=C2\S/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000009311589 291979704 /nfs/dbraw/zinc/97/97/04/291979704.db2.gz QEGOPVMEOWNOJB-RLEBBJDLSA-N 0 0 526.662 6.607 50 30 KKEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000000621929 551502957 /nfs/dbraw/zinc/50/29/57/551502957.db2.gz HJIZAPZRBKJSSG-OAQYLSRUSA-N 0 0 512.400 5.128 50 30 KKEARN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000647246 551508178 /nfs/dbraw/zinc/50/81/78/551508178.db2.gz JTISBAXSJKDXLT-KEEVHDRGSA-N 0 0 527.577 5.923 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Br)cc1 ZINC000000648043 551509090 /nfs/dbraw/zinc/50/90/90/551509090.db2.gz VFRWEPMIVVAPAX-AVRWGWEMSA-N 0 0 526.427 5.391 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Br)cc1 ZINC000000648039 551509110 /nfs/dbraw/zinc/50/91/10/551509110.db2.gz VFRWEPMIVVAPAX-BVZFJXPGSA-N 0 0 526.427 5.391 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2ccccc2OC(C)C)cc1OC ZINC000000648091 551509386 /nfs/dbraw/zinc/50/93/86/551509386.db2.gz YHCVXPQSPBKNAE-JPZYQRIQSA-N 0 0 545.676 6.338 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccc(SC)cc2)cc1OC ZINC000000648373 551509543 /nfs/dbraw/zinc/50/95/43/551509543.db2.gz LIHMQVYGQWLRBT-LYZGTLIUSA-N 0 0 521.679 5.987 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000000648372 551509569 /nfs/dbraw/zinc/50/95/69/551509569.db2.gz IEPHVMGAFSULLF-KJFKMWBDSA-N 0 0 535.637 5.424 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000000648498 551509909 /nfs/dbraw/zinc/50/99/09/551509909.db2.gz CQDCUECLKPTFHI-OXUZJWOWSA-N 0 0 533.665 6.194 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccccc2Br)c1 ZINC000000648499 551509943 /nfs/dbraw/zinc/50/99/43/551509943.db2.gz ATDQHMNXDFCBMR-DEOSSOPVSA-N 0 0 512.400 5.178 50 30 KKEARN CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccc(OC)cc3OC)n2)cc1 ZINC000000648740 551510082 /nfs/dbraw/zinc/51/00/82/551510082.db2.gz FCHCNBUUQBRYDI-UHFFFAOYSA-N 0 0 525.630 6.434 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 ZINC000000648681 551510095 /nfs/dbraw/zinc/51/00/95/551510095.db2.gz HDDAEBOGIAPKSO-XMMPIXPASA-N 0 0 514.416 5.788 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(COc2ccc(OC)cc2)c(OC)c1 ZINC000000648555 551510137 /nfs/dbraw/zinc/51/01/37/551510137.db2.gz ZSZGBSXJXRNOMH-HHHXNRCGSA-N 0 0 505.611 5.450 50 30 KKEARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000000651032 551512527 /nfs/dbraw/zinc/51/25/27/551512527.db2.gz TZYRZARQKZOTGP-HSZRJFAPSA-N 0 0 525.443 5.714 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000000651863 551512967 /nfs/dbraw/zinc/51/29/67/551512967.db2.gz NZCWIURWNILULK-ZTOMLWHTSA-N 0 0 514.021 6.454 50 30 KKEARN COc1ccc(OCc2cc([C@@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc2OC)cc1 ZINC000000656188 551514068 /nfs/dbraw/zinc/51/40/68/551514068.db2.gz SOPWAQBFSLQPIS-WJOKGBTCSA-N 0 0 567.686 6.229 50 30 KKEARN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(O)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000000658410 551514538 /nfs/dbraw/zinc/51/45/38/551514538.db2.gz CWNOYHNBTGFIFJ-UHFFFAOYSA-N 0 0 516.476 6.259 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ncccc3C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COC(C)=O ZINC000000659901 551515691 /nfs/dbraw/zinc/51/56/91/551515691.db2.gz CBNFECAHLZFWQD-QABMSTFYSA-N 0 0 551.643 5.462 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000000665729 551517162 /nfs/dbraw/zinc/51/71/62/551517162.db2.gz DEJQPCSTJDIVRZ-UHFFFAOYSA-N 0 0 566.448 5.993 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CCCC2=O ZINC000000665837 551517468 /nfs/dbraw/zinc/51/74/68/551517468.db2.gz DKZAIZAFTQNTIH-UHFFFAOYSA-N 0 0 553.486 6.753 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000666694 551517480 /nfs/dbraw/zinc/51/74/80/551517480.db2.gz FCBQWSRHPWFNCF-RNWIMVQKSA-N 0 0 514.021 6.454 50 30 KKEARN CCN1C2=C(C(=O)CCC2)C(c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)C2=C1CCCC2=O ZINC000000665827 551517490 /nfs/dbraw/zinc/51/74/90/551517490.db2.gz LCMLPUPGVOCQAJ-UHFFFAOYSA-N 0 0 593.518 6.217 50 30 KKEARN CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000000665820 551517491 /nfs/dbraw/zinc/51/74/91/551517491.db2.gz WCXDDHQCAGHFLZ-UHFFFAOYSA-N 0 0 597.539 7.151 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000666702 551517523 /nfs/dbraw/zinc/51/75/23/551517523.db2.gz FCBQWSRHPWFNCF-IADCTJSHSA-N 0 0 514.021 6.454 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000000666868 551517530 /nfs/dbraw/zinc/51/75/30/551517530.db2.gz VORFRMQJWVHXOW-HLADLETHSA-N 0 0 509.602 5.548 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000667041 551517935 /nfs/dbraw/zinc/51/79/35/551517935.db2.gz SWKHBNIKHUSKEA-YUDQIZAISA-N 0 0 558.074 6.505 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)C2)cc1 ZINC000000672320 551519458 /nfs/dbraw/zinc/51/94/58/551519458.db2.gz SYUCUYJSRZXWJT-QCBOHVIISA-N 0 0 560.650 6.927 50 30 KKEARN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000674112 551520698 /nfs/dbraw/zinc/52/06/98/551520698.db2.gz KINWNGNCMCOSKE-KCWXNJEJSA-N 0 0 505.530 6.402 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000000678723 551522566 /nfs/dbraw/zinc/52/25/66/551522566.db2.gz IHZUKYNPZCARTN-JRPXNJEYSA-N 0 0 547.648 5.568 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Br ZINC000000678952 551523101 /nfs/dbraw/zinc/52/31/01/551523101.db2.gz LFDSEDMZGOBEPC-GYCJOSAFSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000679080 551523288 /nfs/dbraw/zinc/52/32/88/551523288.db2.gz CCXNBXWNUQWAJV-PBBNMVCDSA-N 0 0 519.613 6.080 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Br)cc1 ZINC000000679268 551523438 /nfs/dbraw/zinc/52/34/38/551523438.db2.gz RGHDKRJFVZXCPO-OSPHWJPCSA-N 0 0 512.400 5.001 50 30 KKEARN COc1ccc(C(=O)Oc2ccc([C@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)cc1 ZINC000000680201 551523740 /nfs/dbraw/zinc/52/37/40/551523740.db2.gz QSCYQFULVMHIMI-XTEPFMGCSA-N 0 0 505.570 5.957 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=C2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000000688874 551526429 /nfs/dbraw/zinc/52/64/29/551526429.db2.gz DEKUMLRAIHHSIT-HKBQPEDESA-N 0 0 548.639 6.673 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CCCCC5)cc3n2)cc1 ZINC000000688799 551526463 /nfs/dbraw/zinc/52/64/63/551526463.db2.gz UQKRFLNWZQVQAC-UHFFFAOYSA-N 0 0 511.529 5.878 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1COc1ccc(C#N)cc1 ZINC000000695899 551528055 /nfs/dbraw/zinc/52/80/55/551528055.db2.gz ARFCYWWTTNMIKS-QYTMHSNXSA-N 0 0 596.687 6.541 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000000702686 551529846 /nfs/dbraw/zinc/52/98/46/551529846.db2.gz KPKBKBOHRZFBOQ-YIXXDRMTSA-N 0 0 523.626 5.276 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000000703069 551530215 /nfs/dbraw/zinc/53/02/15/551530215.db2.gz DJPDFQFYHRJWCL-HMILPKGGSA-N 0 0 507.542 6.174 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000000702997 551530256 /nfs/dbraw/zinc/53/02/56/551530256.db2.gz RJGNBVHKSRZWFX-LJAQVGFWSA-N 0 0 535.552 6.392 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000000703068 551530300 /nfs/dbraw/zinc/53/03/00/551530300.db2.gz DJPDFQFYHRJWCL-GDJIYFAZSA-N 0 0 507.542 6.174 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000000703070 551530307 /nfs/dbraw/zinc/53/03/07/551530307.db2.gz DJPDFQFYHRJWCL-WHLCRQNOSA-N 0 0 507.542 6.174 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703143 551530632 /nfs/dbraw/zinc/53/06/32/551530632.db2.gz YVWZJIHBSZULEM-AREMUKBSSA-N 0 0 556.596 6.241 50 30 KKEARN CCOc1c(I)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000705710 551531320 /nfs/dbraw/zinc/53/13/20/551531320.db2.gz CAOQKJZWMDCJGK-UHFFFAOYSA-N 0 0 550.433 6.099 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000708002 551531869 /nfs/dbraw/zinc/53/18/69/551531869.db2.gz KAHLZJAREMAVNQ-HRFSGMKKSA-N 0 0 502.567 5.451 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000708172 551532068 /nfs/dbraw/zinc/53/20/68/551532068.db2.gz XZBTYVFFSUNBPD-RCDICMHDSA-N 0 0 532.818 5.351 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000000708173 551532159 /nfs/dbraw/zinc/53/21/59/551532159.db2.gz XZBTYVFFSUNBPD-FPTDNZKUSA-N 0 0 532.818 5.351 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CC1 ZINC000000709605 551532915 /nfs/dbraw/zinc/53/29/15/551532915.db2.gz KDYMHAUHMVHDIN-UVDDSOTQSA-N 0 0 524.617 6.389 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cs1 ZINC000000714596 551533881 /nfs/dbraw/zinc/53/38/81/551533881.db2.gz KTXDPKIQSWGRFF-NRFANRHFSA-N 0 0 531.472 5.500 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000000717679 551534761 /nfs/dbraw/zinc/53/47/61/551534761.db2.gz DRUVDEVQGSPFBD-OSPHWJPCSA-N 0 0 501.570 6.614 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000000717688 551534773 /nfs/dbraw/zinc/53/47/73/551534773.db2.gz QWNHNWFLLWBJJZ-XBBWARJSSA-N 0 0 547.648 5.568 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000000717279 551534815 /nfs/dbraw/zinc/53/48/15/551534815.db2.gz DCWZEKFNWCQOFD-MUUNZHRXSA-N 0 0 591.502 6.932 50 30 KKEARN COc1cc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000000717700 551534831 /nfs/dbraw/zinc/53/48/31/551534831.db2.gz OZXOHCXXZLFYIA-CRYYWNKWSA-N 0 0 523.651 5.621 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718123 551535077 /nfs/dbraw/zinc/53/50/77/551535077.db2.gz SXGANHMVGCHPAB-AYWVHJORSA-N 0 0 506.602 6.092 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(Br)c2)cc1OC ZINC000000718073 551535090 /nfs/dbraw/zinc/53/50/90/551535090.db2.gz QXFIEMVEGAQGAU-SOKVYYICSA-N 0 0 523.402 6.585 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C(F)(F)F)c1 ZINC000000718258 551535258 /nfs/dbraw/zinc/53/52/58/551535258.db2.gz OEDBYRNSMVLIRR-HFJWLAOPSA-N 0 0 526.942 6.812 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccs3)C2)cc1OC ZINC000000719047 551535715 /nfs/dbraw/zinc/53/57/15/551535715.db2.gz PGJNQOIPYBMJNZ-VKGTZQKMSA-N 0 0 500.620 6.076 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1O ZINC000000720665 551537187 /nfs/dbraw/zinc/53/71/87/551537187.db2.gz IQQYFMUEUBWVGS-LFPIHBKWSA-N 0 0 511.441 6.594 50 30 biogenic,in-vitro KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)c(Br)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000720401 551537241 /nfs/dbraw/zinc/53/72/41/551537241.db2.gz UAMWCNDXKMLXJX-DEOSSOPVSA-N 0 0 538.394 5.566 50 30 KKEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Br)c1OC ZINC000000729430 551538989 /nfs/dbraw/zinc/53/89/89/551538989.db2.gz UAEXONXZJISCCR-CLYVBNDRSA-N 0 0 519.439 6.754 50 30 KKEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(Cl)c1O ZINC000000729512 551539349 /nfs/dbraw/zinc/53/93/49/551539349.db2.gz ZSEMYKZZOZRERI-HJWYETAXSA-N 0 0 551.039 6.450 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(OC)c2OC)cc1 ZINC000000801114 551543411 /nfs/dbraw/zinc/54/34/11/551543411.db2.gz SADVFWXDYIBPGF-QXNWPYRLSA-N 0 0 553.655 5.860 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)sc2C1 ZINC000000845360 551548915 /nfs/dbraw/zinc/54/89/15/551548915.db2.gz VEMOBZAPPNEBJZ-CYBMUJFWSA-N 0 0 529.613 6.813 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000848097 551549448 /nfs/dbraw/zinc/54/94/48/551549448.db2.gz HXALGTPNFRXQHM-XJFCNFDWSA-N 0 0 539.628 5.905 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000848098 551549455 /nfs/dbraw/zinc/54/94/55/551549455.db2.gz HXALGTPNFRXQHM-QXNWPYRLSA-N 0 0 539.628 5.905 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000000848061 551549470 /nfs/dbraw/zinc/54/94/70/551549470.db2.gz FIQHTMZZRQPVHW-DCFHFQCYSA-N 0 0 510.030 6.005 50 30 biogenic,in-vitro KKEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000000857628 551550646 /nfs/dbraw/zinc/55/06/46/551550646.db2.gz HGGLKSMWCUHTPK-SANMLTNESA-N 0 0 505.958 6.671 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000000861168 551551016 /nfs/dbraw/zinc/55/10/16/551551016.db2.gz BRDGIIVAXMLQKB-VWLOTQADSA-N 0 0 540.454 5.814 50 30 KKEARN COc1cccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1OC ZINC000000861020 551551019 /nfs/dbraw/zinc/55/10/19/551551019.db2.gz CBXHLXREQCKALK-BCHFMIIMSA-N 0 0 510.030 5.918 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000000861167 551551027 /nfs/dbraw/zinc/55/10/27/551551027.db2.gz BRDGIIVAXMLQKB-RUZDIDTESA-N 0 0 540.454 5.814 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000000861038 551551039 /nfs/dbraw/zinc/55/10/39/551551039.db2.gz XONPCGYGGUGLMB-NGOKVRLYSA-N 0 0 501.579 5.271 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000861290 551551241 /nfs/dbraw/zinc/55/12/41/551551241.db2.gz FVKCASZTZHJZDS-GPNASLBKSA-N 0 0 553.655 5.860 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000861292 551551346 /nfs/dbraw/zinc/55/13/46/551551346.db2.gz FVKCASZTZHJZDS-NRUKRWIHSA-N 0 0 553.655 5.860 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000863441 551551871 /nfs/dbraw/zinc/55/18/71/551551871.db2.gz JHSGQGPAPKWLBQ-VOIUYBSRSA-N 0 0 502.394 5.545 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1Cl ZINC000000863460 551552021 /nfs/dbraw/zinc/55/20/21/551552021.db2.gz MPYSWONPSBHQAW-VOIUYBSRSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863528 551552038 /nfs/dbraw/zinc/55/20/38/551552038.db2.gz ZLMROMGHSUDRPB-PIIWDFAUSA-N 0 0 532.593 5.459 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000000863534 551552319 /nfs/dbraw/zinc/55/23/19/551552319.db2.gz GHKJNHAYEIVGDO-IVCQMTBJSA-N 0 0 516.421 5.935 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000863531 551552389 /nfs/dbraw/zinc/55/23/89/551552389.db2.gz ZLMROMGHSUDRPB-MMTVBGGISA-N 0 0 532.593 5.459 50 30 KKEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000000949878 551588908 /nfs/dbraw/zinc/58/89/08/551588908.db2.gz VIMOMHPJHYUECR-UHFFFAOYSA-N 0 0 512.060 5.475 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000000959808 551590068 /nfs/dbraw/zinc/59/00/68/551590068.db2.gz BJJWHSLYBRLZQS-NRFANRHFSA-N 0 0 505.571 5.131 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[nH]c(=O)c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000959793 551590073 /nfs/dbraw/zinc/59/00/73/551590073.db2.gz ZWTKZYFDOZEYQP-HXUWFJFHSA-N 0 0 506.559 5.722 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1cccc(F)c1 ZINC000000985927 551592762 /nfs/dbraw/zinc/59/27/62/551592762.db2.gz JRGWDTTXIFPOFJ-WWOZWPLTSA-N 0 0 530.596 6.162 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000000985925 551592782 /nfs/dbraw/zinc/59/27/82/551592782.db2.gz VFKHKRRDTMZELY-XDCSYDRFSA-N 0 0 574.677 7.235 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@@H]2c1ccccn1 ZINC000000997253 551594794 /nfs/dbraw/zinc/59/47/94/551594794.db2.gz NMAOODXZSPIVNA-RUZDIDTESA-N 0 0 502.412 6.301 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000001003354 551596035 /nfs/dbraw/zinc/59/60/35/551596035.db2.gz MAONXHJBGQWIMD-VWLOTQADSA-N 0 0 524.545 5.099 50 30 KKEARN N#Cc1ccccc1NC(=O)Nc1cc(-c2cccs2)nn1-c1ccc(I)cc1 ZINC000001047094 551599371 /nfs/dbraw/zinc/59/93/71/551599371.db2.gz GGWJVFWJHOTWTG-UHFFFAOYSA-N 0 0 511.348 5.721 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000001060994 551600871 /nfs/dbraw/zinc/60/08/71/551600871.db2.gz PYEOWOXKKOTTBO-UHFFFAOYSA-N 0 0 506.074 5.044 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000001067401 551602157 /nfs/dbraw/zinc/60/21/57/551602157.db2.gz QNYCOARKEOLHSB-JCOAXYOVSA-N 0 0 552.652 6.964 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2ccccc2F)cc1 ZINC000001074550 551603499 /nfs/dbraw/zinc/60/34/99/551603499.db2.gz GECLHBOHBMFIDO-PPHZAIPVSA-N 0 0 503.595 6.001 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1coc2ccccc2c1=O ZINC000001074831 551603865 /nfs/dbraw/zinc/60/38/65/551603865.db2.gz UIGMDBNXBLASND-SONOPUAISA-N 0 0 525.601 5.649 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000001074681 551603886 /nfs/dbraw/zinc/60/38/86/551603886.db2.gz GOEUBBWMCWJGBE-ZBLYBZFDSA-N 0 0 504.051 6.549 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000001077175 551604479 /nfs/dbraw/zinc/60/44/79/551604479.db2.gz DBWVSTYOIREKFY-JWIGPWBQSA-N 0 0 501.539 5.600 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000001077503 551604854 /nfs/dbraw/zinc/60/48/54/551604854.db2.gz DUQYBKAYKUKUEF-SONOPUAISA-N 0 0 500.595 6.091 50 30 KKEARN COc1cc(Br)c([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000001082054 551605878 /nfs/dbraw/zinc/60/58/78/551605878.db2.gz UKPQXGLLCQUQJB-HMILPKGGSA-N 0 0 566.492 6.314 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O ZINC000001082031 551605905 /nfs/dbraw/zinc/60/59/05/551605905.db2.gz KYNXMUCTYHCXFX-PGXOYOEPSA-N 0 0 510.030 6.148 50 30 biogenic,in-vitro KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000001087527 551606641 /nfs/dbraw/zinc/60/66/41/551606641.db2.gz TVRHUWSWNHNJLE-WWOZWPLTSA-N 0 0 508.574 6.098 50 30 biogenic KKEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(Br)cc1OC ZINC000001089468 551606935 /nfs/dbraw/zinc/60/69/35/551606935.db2.gz MSQOICRCMLBJKB-XMHCIUCPSA-N 0 0 518.429 5.062 50 30 KKEARN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1 ZINC000001101409 551608632 /nfs/dbraw/zinc/60/86/32/551608632.db2.gz NGSOPYVISQTIBE-AOKXBXCXSA-N 0 0 511.962 5.368 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1OC ZINC000001102595 551608948 /nfs/dbraw/zinc/60/89/48/551608948.db2.gz FUMAORQPDZWLRH-GKVSMKOHSA-N 0 0 523.651 5.621 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc(SCC(=O)NCc3ccc4c(c3)OCO4)c2C#N)cc1OC ZINC000001104232 551609486 /nfs/dbraw/zinc/60/94/86/551609486.db2.gz VUYQPGPBJCCDSL-UHFFFAOYSA-N 0 0 567.667 6.059 50 30 KKEARN C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000001120506 551613018 /nfs/dbraw/zinc/61/30/18/551613018.db2.gz PAOHREXBWMJXSP-UHFFFAOYSA-N 0 0 521.481 5.838 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCc2ccccc2)cc(Br)c1O ZINC000001136918 551616564 /nfs/dbraw/zinc/61/65/64/551616564.db2.gz IMETWJJBANOZMC-FQEVSTJZSA-N 0 0 514.397 5.046 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2OC)C3)cc1 ZINC000001155624 551619393 /nfs/dbraw/zinc/61/93/93/551619393.db2.gz CJWSDXHMYPVQSV-PIKZIKFNSA-N 0 0 515.606 5.329 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001155699 551619778 /nfs/dbraw/zinc/61/97/78/551619778.db2.gz ZKZHZOPWOFTJAX-SOKVYYICSA-N 0 0 582.491 6.019 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000001155698 551619849 /nfs/dbraw/zinc/61/98/49/551619849.db2.gz ZKZHZOPWOFTJAX-CBZJRKILSA-N 0 0 582.491 6.019 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000001178699 551620694 /nfs/dbraw/zinc/62/06/94/551620694.db2.gz HDPIVSMPIGAEOR-IIMAJNMQSA-N 0 0 500.042 6.717 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001175284 551620758 /nfs/dbraw/zinc/62/07/58/551620758.db2.gz MRLFNLVBNRRNCP-OAQYLSRUSA-N 0 0 501.371 5.970 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O ZINC000001201371 551623331 /nfs/dbraw/zinc/62/33/31/551623331.db2.gz QAFILSKSPCGJCJ-BVZFJXPGSA-N 0 0 540.454 5.724 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001213227 551625693 /nfs/dbraw/zinc/62/56/93/551625693.db2.gz NQXVDAUQUDEQGR-DEOSSOPVSA-N 0 0 510.974 5.604 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000001218582 551627126 /nfs/dbraw/zinc/62/71/26/551627126.db2.gz UYTRWBDFPMHRKY-NDEPHWFRSA-N 0 0 547.051 6.823 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2cccs2)cc(OC)c1OC ZINC000001249972 551632188 /nfs/dbraw/zinc/63/21/88/551632188.db2.gz RDRFTBIJDMJKOY-QJWGWKRISA-N 0 0 584.669 7.127 50 30 KKEARN COc1cc(C2C3=C(C[C@H](c4ccccc4)CC3=O)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1OC ZINC000001249461 551632205 /nfs/dbraw/zinc/63/22/05/551632205.db2.gz XMPWDVACIJMLCT-DHIUTWEWSA-N 0 0 536.624 6.628 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000001251406 551632594 /nfs/dbraw/zinc/63/25/94/551632594.db2.gz ZMMCEEQHVPVEIL-APYJYERMSA-N 0 0 554.687 6.930 50 30 KKEARN CCN(CC)C1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc(C)cc2C)S(=O)(=O)c2ccccc21 ZINC000001257800 551633149 /nfs/dbraw/zinc/63/31/49/551633149.db2.gz PQKUROJQZDNRHY-UHFFFAOYSA-N 0 0 502.636 5.084 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccc(OCCN3CCOCC3)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)O2 ZINC000001269393 551634322 /nfs/dbraw/zinc/63/43/22/551634322.db2.gz QZZCZVJCDCJUIJ-VMPREFPWSA-N 0 0 575.705 6.313 50 30 KKEARN COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3ccc(OC)c(CN4CCOCC4)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001270621 551634660 /nfs/dbraw/zinc/63/46/60/551634660.db2.gz AOEBOZNPJBJMPK-UHFFFAOYSA-N 0 0 584.757 6.426 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000001279653 551636369 /nfs/dbraw/zinc/63/63/69/551636369.db2.gz DJXROCSDUAQKDR-VPUSJEBWSA-N 0 0 554.440 6.711 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000001283090 551636725 /nfs/dbraw/zinc/63/67/25/551636725.db2.gz HYBLWDOQGXPVGZ-JHXDXHAQSA-N 0 0 562.851 5.918 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000001308593 551639671 /nfs/dbraw/zinc/63/96/71/551639671.db2.gz QXIONYISBBJWBJ-JMQGSBJISA-N 0 0 582.575 6.184 50 30 KKEARN COc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001323130 551642270 /nfs/dbraw/zinc/64/22/70/551642270.db2.gz LWEDEMYOOUAYRQ-UKPGIYTDSA-N 0 0 550.611 6.520 50 30 biogenic KKEARN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]1c1cccc2ccccc21 ZINC000001387130 551660699 /nfs/dbraw/zinc/66/06/99/551660699.db2.gz GVKLSXRDTRWCEM-BIYCFNCWSA-N 0 0 516.553 5.682 50 30 KKEARN COc1cc(C#N)c(NC(=S)Nc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)cc1OC ZINC000001394216 551661036 /nfs/dbraw/zinc/66/10/36/551661036.db2.gz YVALVCYGTFMAQA-UHFFFAOYSA-N 0 0 508.909 6.244 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001409629 551664198 /nfs/dbraw/zinc/66/41/98/551664198.db2.gz KFGVICPIJUBQSK-SFRLIIPVSA-N 0 0 544.651 7.227 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001411030 551664747 /nfs/dbraw/zinc/66/47/47/551664747.db2.gz JMAJBTWTNUQUON-AREMUKBSSA-N 0 0 500.982 6.041 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001411047 551664754 /nfs/dbraw/zinc/66/47/54/551664754.db2.gz HZLIJVXNZMTGSG-NDEPHWFRSA-N 0 0 526.589 5.405 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001411055 551664790 /nfs/dbraw/zinc/66/47/90/551664790.db2.gz JHAQLRSDADQRDK-NDEPHWFRSA-N 0 0 510.590 5.786 50 30 KKEARN Cc1c(N2C(=O)C(=O)C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001413163 551665125 /nfs/dbraw/zinc/66/51/25/551665125.db2.gz YPDHKEDGFRMTHD-VWLOTQADSA-N 0 0 513.981 5.229 50 30 KKEARN COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1OC ZINC000001413283 551665152 /nfs/dbraw/zinc/66/51/52/551665152.db2.gz NJQWTJXDUIIPOU-DEOSSOPVSA-N 0 0 522.395 5.287 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)C(F)(F)F)[C@H]3c3cccs3)C2)cc1 ZINC000001413001 551665209 /nfs/dbraw/zinc/66/52/09/551665209.db2.gz PURXEQFBZQESMW-GKVSMKOHSA-N 0 0 512.553 6.528 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001413417 551665429 /nfs/dbraw/zinc/66/54/29/551665429.db2.gz JQWFTZUTKODZRC-RUZDIDTESA-N 0 0 531.406 5.760 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000001413476 551665819 /nfs/dbraw/zinc/66/58/19/551665819.db2.gz ZJWMEGODYFUORM-SANMLTNESA-N 0 0 516.981 5.660 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414779 551666567 /nfs/dbraw/zinc/66/65/67/551666567.db2.gz KZXZATGFVDHINC-SANMLTNESA-N 0 0 516.981 5.747 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000001414750 551666593 /nfs/dbraw/zinc/66/65/93/551666593.db2.gz JOSTVVMDNIUPDG-AREMUKBSSA-N 0 0 500.526 5.145 50 30 KKEARN CCOc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)cc1OCC ZINC000001421118 551668429 /nfs/dbraw/zinc/66/84/29/551668429.db2.gz IKCPFWJKOREEPR-UHFFFAOYSA-N 0 0 526.442 5.089 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CCC3)[C@H]1c1ccc(O)c(OC)c1)CCCC2 ZINC000001423042 551668772 /nfs/dbraw/zinc/66/87/72/551668772.db2.gz VAYYCQRFUPBYDG-DEOSSOPVSA-N 0 0 536.650 5.124 50 30 KKEARN C=CCc1c(C)nc(SCC(=O)Nc2c(Br)cc(OC)cc2Br)c(C#N)c1C ZINC000001425134 551669275 /nfs/dbraw/zinc/66/92/75/551669275.db2.gz XHIUULKBHYPPKI-UHFFFAOYSA-N 0 0 525.266 5.563 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCCC3)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000001429762 551669962 /nfs/dbraw/zinc/66/99/62/551669962.db2.gz ILSOCMKOAUVDKB-IBGZPJMESA-N 0 0 502.636 6.171 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000001431240 551670238 /nfs/dbraw/zinc/67/02/38/551670238.db2.gz HSUUXWMRFCQIIW-CLYVBNDRSA-N 0 0 521.610 5.034 50 30 KKEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000001431228 551670254 /nfs/dbraw/zinc/67/02/54/551670254.db2.gz SQOPMRHBQJJUKC-ZTOMLWHTSA-N 0 0 529.658 5.913 50 30 KKEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001431253 551670284 /nfs/dbraw/zinc/67/02/84/551670284.db2.gz MQSGDRDGWCIVAE-AFJIDDCJSA-N 0 0 545.657 5.879 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2OC)C3)cc1Br ZINC000001434661 551670622 /nfs/dbraw/zinc/67/06/22/551670622.db2.gz QAHWCPRGUUMWLT-HMILPKGGSA-N 0 0 566.492 6.314 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000001434730 551671010 /nfs/dbraw/zinc/67/10/10/551671010.db2.gz NBLBVOGNXSHYTG-XBBWARJSSA-N 0 0 513.594 5.650 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(Br)c2)cc1OC ZINC000001434764 551671032 /nfs/dbraw/zinc/67/10/32/551671032.db2.gz OQFACLALZHJCAC-SLQAJWMNSA-N 0 0 549.465 6.845 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC(C)=O)cc2)cc(OC)c1OC ZINC000001434788 551671129 /nfs/dbraw/zinc/67/11/29/551671129.db2.gz SOFQDPHQXILTMD-SLQAJWMNSA-N 0 0 514.578 5.617 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc(OC)c1OC ZINC000001437525 551671485 /nfs/dbraw/zinc/67/14/85/551671485.db2.gz SESRSICATWEMRN-HZAQMHFWSA-N 0 0 514.622 6.479 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000001438838 551672330 /nfs/dbraw/zinc/67/23/30/551672330.db2.gz BFRICJSRTZMJJG-PIIWDFAUSA-N 0 0 545.657 5.879 50 30 KKEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000001438841 551672438 /nfs/dbraw/zinc/67/24/38/551672438.db2.gz BFRICJSRTZMJJG-MMTVBGGISA-N 0 0 545.657 5.879 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Br)c2)cc(OC)c1OC ZINC000001440257 551672790 /nfs/dbraw/zinc/67/27/90/551672790.db2.gz RDBAZWASENSXKW-CBZJRKILSA-N 0 0 535.438 6.454 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc3c(cc2Br)OCO3)cc1 ZINC000001440046 551672803 /nfs/dbraw/zinc/67/28/03/551672803.db2.gz PNHIVORHQSRYNG-SOKVYYICSA-N 0 0 503.396 6.466 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449135 551674555 /nfs/dbraw/zinc/67/45/55/551674555.db2.gz CODFUXKYASYJKR-RUZDIDTESA-N 0 0 546.601 5.504 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000001450356 551675112 /nfs/dbraw/zinc/67/51/12/551675112.db2.gz MSFPJXKBLHUPFZ-DEOSSOPVSA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001450362 551675563 /nfs/dbraw/zinc/67/55/63/551675563.db2.gz JRXXMSIAYUOAQO-VWLOTQADSA-N 0 0 546.601 5.422 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001450360 551675659 /nfs/dbraw/zinc/67/56/59/551675659.db2.gz XOAUMGMPCKCPDB-VWLOTQADSA-N 0 0 560.628 5.730 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000001451415 551675963 /nfs/dbraw/zinc/67/59/63/551675963.db2.gz GJSHMAYULYUFJU-RUZDIDTESA-N 0 0 530.602 5.722 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000001451418 551675986 /nfs/dbraw/zinc/67/59/86/551675986.db2.gz QHMZDNVKJXCZKS-VWLOTQADSA-N 0 0 530.602 5.722 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001451410 551676026 /nfs/dbraw/zinc/67/60/26/551676026.db2.gz MTBHJPZZOUEDQD-VWLOTQADSA-N 0 0 544.629 6.058 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000001451417 551676059 /nfs/dbraw/zinc/67/60/59/551676059.db2.gz RTUGQSZSPYDAJR-XMMPIXPASA-N 0 0 530.602 5.722 50 30 KKEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000001458999 551677640 /nfs/dbraw/zinc/67/76/40/551677640.db2.gz MFXGBKBDLNCGPF-JPZYQRIQSA-N 0 0 520.585 6.511 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000001460769 551678223 /nfs/dbraw/zinc/67/82/23/551678223.db2.gz HBHFCZRTFPKXQQ-JIYROHSKSA-N 0 0 568.670 6.111 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2coc3ccccc3c2=O)cc1OC ZINC000001460819 551678578 /nfs/dbraw/zinc/67/85/78/551678578.db2.gz FIIPHIPVXOLFSN-APYJYERMSA-N 0 0 576.649 6.119 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000001460839 551678735 /nfs/dbraw/zinc/67/87/35/551678735.db2.gz REWWWBYYDOTGFX-BGOLNKOXSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2ccc(OC)c(O)c2)cc1 ZINC000001461033 551679163 /nfs/dbraw/zinc/67/91/63/551679163.db2.gz ITQPCVJUGURINT-BGOLNKOXSA-N 0 0 570.642 5.427 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000001461017 551679186 /nfs/dbraw/zinc/67/91/86/551679186.db2.gz KFLLPDDIWRSKPL-JIYROHSKSA-N 0 0 568.670 6.030 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482279 551682668 /nfs/dbraw/zinc/68/26/68/551682668.db2.gz VVNBBCURURQOMW-QHCPKHFHSA-N 0 0 551.020 6.067 50 30 KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccc(C)cc3)nc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001765126 551694921 /nfs/dbraw/zinc/69/49/21/551694921.db2.gz RCSQUVXBROVXTH-UHFFFAOYSA-N 0 0 557.075 6.882 50 30 KKEARN O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccccc2)S1 ZINC000001770431 551696102 /nfs/dbraw/zinc/69/61/02/551696102.db2.gz ZNDWDQAAOZJNFR-QTEAAIINSA-N 0 0 528.859 6.263 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000001772333 551696685 /nfs/dbraw/zinc/69/66/85/551696685.db2.gz QCYOWAFGBDHRSN-KRWDZBQOSA-N 0 0 531.747 6.768 50 30 KKEARN CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O ZINC000001773235 551696911 /nfs/dbraw/zinc/69/69/11/551696911.db2.gz RTMXINYGXZAFRQ-UHFFFAOYSA-N 0 0 523.313 7.630 50 30 KKEARN C=C(C)CSc1nc2c(c(=O)n1-c1cccc(Br)c1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001797697 551703155 /nfs/dbraw/zinc/70/31/55/551703155.db2.gz BIYMGAGDUXHAOM-UHFFFAOYSA-N 0 0 507.497 7.088 50 30 biogenic KKEARN COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1OC ZINC000001805669 551704616 /nfs/dbraw/zinc/70/46/16/551704616.db2.gz PHBXCQHBDGMLOV-UHFFFAOYSA-N 0 0 552.656 6.237 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nsc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001808148 551705046 /nfs/dbraw/zinc/70/50/46/551705046.db2.gz IBINVVVEKGSUCW-UHFFFAOYSA-N 0 0 578.355 7.090 50 30 KKEARN O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000001812340 551706645 /nfs/dbraw/zinc/70/66/45/551706645.db2.gz IAUKYKIVGLGZHK-YMDMOTAHSA-N 0 0 512.078 7.890 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 ZINC000001816101 551707643 /nfs/dbraw/zinc/70/76/43/551707643.db2.gz REHZJCTVYULWAG-UQQQWYQISA-N 0 0 582.483 5.546 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1 ZINC000001816590 551707690 /nfs/dbraw/zinc/70/76/90/551707690.db2.gz ZRLXGPRLDRFWKQ-MYYYXRDXSA-N 0 0 572.477 6.090 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001817357 551708169 /nfs/dbraw/zinc/70/81/69/551708169.db2.gz BFGGUQGSCMQFQE-UHFFFAOYSA-N 0 0 501.652 5.594 50 30 KKEARN O=C1c2ccccc2[C@@]2(c3ccccc3)N(C(=S)NP(=O)(OCC(F)(F)F)OCC(F)(F)F)CCN12 ZINC000001823555 551709387 /nfs/dbraw/zinc/70/93/87/551709387.db2.gz HKHHDUCGDZJRNN-OAQYLSRUSA-N 0 0 553.421 5.211 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3ccc(Cl)cc3)c2C#N)cc1C ZINC000001826379 551710167 /nfs/dbraw/zinc/71/01/67/551710167.db2.gz JGMAHEWQNIPUDW-UHFFFAOYSA-N 0 0 555.103 7.490 50 30 KKEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001833683 551711889 /nfs/dbraw/zinc/71/18/89/551711889.db2.gz GJCOFLCXQUIHBE-UHFFFAOYSA-N 0 0 564.549 6.738 50 30 KKEARN Cc1ccc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1C ZINC000001844310 551714497 /nfs/dbraw/zinc/71/44/97/551714497.db2.gz GCDALOWVLVNLCK-UHFFFAOYSA-N 0 0 541.076 7.182 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(Br)cc2)nsc1SCC(=O)Nc1ccc(Br)cc1 ZINC000001858125 551716459 /nfs/dbraw/zinc/71/64/59/551716459.db2.gz CUIZKCMPWXWSEV-UHFFFAOYSA-N 0 0 598.367 6.001 50 30 KKEARN COc1ccc(/C=N/Nc2nc3c(c(=O)n2-c2ccc(C)cc2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000001867880 551718498 /nfs/dbraw/zinc/71/84/98/551718498.db2.gz NDVSTUFYDCZPHT-QNKGDIEWSA-N 0 0 504.634 6.421 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)n(Cc2ccco2)c(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000001875829 551722305 /nfs/dbraw/zinc/72/23/05/551722305.db2.gz LLYOGLNDXFHZRB-ODNPBWNPSA-N 0 0 584.636 6.622 50 30 KKEARN Cc1cc(I)ccc1NC(=O)CSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 ZINC000001879035 551723609 /nfs/dbraw/zinc/72/36/09/551723609.db2.gz OZFOJXYQLUWSKH-UHFFFAOYSA-N 0 0 559.860 6.406 50 30 KKEARN Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)Nc2ccc3ccccc3c2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000001879731 551723905 /nfs/dbraw/zinc/72/39/05/551723905.db2.gz YNMRDDKYMOYJIO-UHFFFAOYSA-N 0 0 577.109 8.027 50 30 KKEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)cc2)c1 ZINC000001882092 551724431 /nfs/dbraw/zinc/72/44/31/551724431.db2.gz RCTBEAMNFKLLIA-XUIWWLCJSA-N 0 0 514.519 5.837 50 30 KKEARN O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)cc1Cl ZINC000001882792 551724603 /nfs/dbraw/zinc/72/46/03/551724603.db2.gz TYEWZHAGWPUBIC-FOKLQQMPSA-N 0 0 503.683 6.412 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1)c1cccc(Br)c1 ZINC000001883642 551724850 /nfs/dbraw/zinc/72/48/50/551724850.db2.gz MMJFQTIAIWZAOX-OKCVXOCRSA-N 0 0 576.244 7.990 50 30 KKEARN Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2ccc(OC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000001883476 551724904 /nfs/dbraw/zinc/72/49/04/551724904.db2.gz YHPIBWQIIJFXOF-SOYKGTTHSA-N 0 0 539.407 5.301 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000001895512 551727535 /nfs/dbraw/zinc/72/75/35/551727535.db2.gz DRRCXDFPKLRZCQ-UHFFFAOYSA-N 0 0 524.667 7.387 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2sc3c(c2c1=O)CCCC3 ZINC000001896103 551727997 /nfs/dbraw/zinc/72/79/97/551727997.db2.gz GZSLERVPDZHUOU-UHFFFAOYSA-N 0 0 510.710 5.456 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@@H](c4ccc(OC)cc4)C2)C3c2ccc(OC)c(OC)c2)cc1 ZINC000001904990 551731849 /nfs/dbraw/zinc/73/18/49/551731849.db2.gz ZZCRFSRWDJCLQI-DNQXCXABSA-N 0 0 566.650 6.636 50 30 biogenic KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)nnc1-c1ccccc1Br ZINC000001906354 551731870 /nfs/dbraw/zinc/73/18/70/551731870.db2.gz YYAZPQFTRXLOOW-UHFFFAOYSA-N 0 0 595.375 6.979 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000001906411 551732089 /nfs/dbraw/zinc/73/20/89/551732089.db2.gz FOIBTWBKWYKXPH-UHFFFAOYSA-N 0 0 560.583 5.836 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)nnc1-c1ccc(C)cc1 ZINC000001906444 551732126 /nfs/dbraw/zinc/73/21/26/551732126.db2.gz YKGQWDJYTVTYEV-UHFFFAOYSA-N 0 0 540.512 5.980 50 30 KKEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000001906605 551732247 /nfs/dbraw/zinc/73/22/47/551732247.db2.gz HBJMTBFNYJNZGD-UHFFFAOYSA-N 0 0 530.506 6.140 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)nnc1-c1ccc(OCC)cc1 ZINC000001906560 551732315 /nfs/dbraw/zinc/73/23/15/551732315.db2.gz OAERWHLROUPYKW-UHFFFAOYSA-N 0 0 526.087 5.961 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)nnc1-c1cccc2ccccc21 ZINC000001906647 551732433 /nfs/dbraw/zinc/73/24/33/551732433.db2.gz PDUZPFQLJHXTMM-UHFFFAOYSA-N 0 0 566.539 7.369 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000001906674 551732476 /nfs/dbraw/zinc/73/24/76/551732476.db2.gz SUAHTXWPNQDHIJ-UHFFFAOYSA-N 0 0 580.950 6.781 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000001906677 551732510 /nfs/dbraw/zinc/73/25/10/551732510.db2.gz QWPIYQWEWQBKRL-UHFFFAOYSA-N 0 0 580.950 6.781 50 30 KKEARN Oc1ccc(Br)cc1/C=N/c1ccccc1-c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000001951119 551735113 /nfs/dbraw/zinc/73/51/13/551735113.db2.gz OOVYKJKVBMMQSU-CMNXJCJSSA-N 0 0 550.250 7.791 50 30 KKEARN O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1)c1ccc(Cl)cc1Cl ZINC000001947861 551735146 /nfs/dbraw/zinc/73/51/46/551735146.db2.gz DFEWBBZEXLTZOQ-WCMJOSRZSA-N 0 0 554.271 8.055 50 30 KKEARN O=C(Nc1ccc(/N=C/c2ccccc2)cc1)c1cccc(C(=O)Nc2ccc(/N=C/c3ccccc3)cc2)c1 ZINC000001954972 551735551 /nfs/dbraw/zinc/73/55/51/551735551.db2.gz XMRJJKVDERDQJS-VJTPSNAYSA-N 0 0 522.608 7.692 50 30 KKEARN CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Br)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000001955196 551735755 /nfs/dbraw/zinc/73/57/55/551735755.db2.gz LWTQGODVCMMFMH-HBWCYYAZSA-N 0 0 504.384 7.879 50 30 KKEARN CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000001997853 551736154 /nfs/dbraw/zinc/73/61/54/551736154.db2.gz OWZREIFADZCYQD-WSTZPKSXSA-N 0 0 505.206 6.490 50 30 KKEARN CN(C)c1ccc(-c2cc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002052729 551739003 /nfs/dbraw/zinc/73/90/03/551739003.db2.gz AYWBWCXHHUASHI-FADJLKOXSA-N 0 0 522.608 8.447 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002057989 551740552 /nfs/dbraw/zinc/74/05/52/551740552.db2.gz HXJPTLJZIVUXNL-YTWZBVJHSA-N 0 0 555.674 7.371 50 30 KKEARN CCCCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000002060729 551742328 /nfs/dbraw/zinc/74/23/28/551742328.db2.gz KPPKJQVKNLJVFH-UTJSUMRRSA-N 0 0 572.499 6.717 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000002063198 551744142 /nfs/dbraw/zinc/74/41/42/551744142.db2.gz JEZHOUJSKOKRBI-MXBOTTGLSA-N 0 0 523.629 5.817 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002063197 551744151 /nfs/dbraw/zinc/74/41/51/551744151.db2.gz QYDFNLXLLUEMLC-IEWVHIKDSA-N 0 0 553.655 5.825 50 30 KKEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000002063175 551744152 /nfs/dbraw/zinc/74/41/52/551744152.db2.gz XBGKLUMHCOBGHG-IEWVHIKDSA-N 0 0 521.657 6.826 50 30 KKEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2OCc2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002063272 551744388 /nfs/dbraw/zinc/74/43/88/551744388.db2.gz HSUCNGJQAHJWEL-UTONBFNKSA-N 0 0 533.668 7.113 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1Br ZINC000002066295 551745227 /nfs/dbraw/zinc/74/52/27/551745227.db2.gz LFOVBRIUZDRWHY-HSZRJFAPSA-N 0 0 502.449 5.938 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002068411 551746450 /nfs/dbraw/zinc/74/64/50/551746450.db2.gz LOSZCLFKQNPRHU-FBVYBBNNSA-N 0 0 535.684 7.381 50 30 KKEARN CCN(CC)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000002068902 551746466 /nfs/dbraw/zinc/74/64/66/551746466.db2.gz BVHQQQDRINSZPN-DHUJRADRSA-N 0 0 599.602 9.881 50 30 KKEARN FC(F)C(F)(F)COc1nc(OCC(F)(F)C(F)F)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000002069015 551746683 /nfs/dbraw/zinc/74/66/83/551746683.db2.gz MMIWOOLXWRBTRU-UHFFFAOYSA-N 0 0 508.369 5.900 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000002071436 551747396 /nfs/dbraw/zinc/74/73/96/551747396.db2.gz PAJYWSREMMEXCM-MWBNBJEGSA-N 0 0 573.476 9.078 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Br)c1 ZINC000002072862 551747841 /nfs/dbraw/zinc/74/78/41/551747841.db2.gz KEEJRDPLVBUHEM-NIYFSFCBSA-N 0 0 540.454 5.781 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000002072874 551748087 /nfs/dbraw/zinc/74/80/87/551748087.db2.gz HBWPLFWUDXKHBH-WHLCRQNOSA-N 0 0 521.610 5.036 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000002074000 551748533 /nfs/dbraw/zinc/74/85/33/551748533.db2.gz OZHOEESSFFYTHC-WINIVTDRSA-N 0 0 510.030 6.062 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000002074178 551748871 /nfs/dbraw/zinc/74/88/71/551748871.db2.gz DIDKRQQYBTYTJH-PBBNMVCDSA-N 0 0 535.637 5.513 50 30 KKEARN O=C1O[C@@]2(c3ccccc3)SC(=C(c3ccccc3)c3ccccc3)N(c3ccccc3)C(c3ccccc3)=C2C1=O ZINC000002077748 551750371 /nfs/dbraw/zinc/75/03/71/551750371.db2.gz QMKIBZPPUWWJHC-QNGWXLTQSA-N 0 0 563.678 8.047 50 30 KKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000002079021 551750863 /nfs/dbraw/zinc/75/08/63/551750863.db2.gz TZMCBILSYUURNZ-LYBMHKGZSA-N 0 0 521.657 7.129 50 30 KKEARN O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000002080763 551751265 /nfs/dbraw/zinc/75/12/65/551751265.db2.gz SHLMAJDCVHLYNA-DLXOCVEYSA-N 0 0 569.897 8.623 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C\c3cc4c(cc3Br)OCO4)C(=O)N2c2ccc(C)cc2)cc1 ZINC000002081236 551751466 /nfs/dbraw/zinc/75/14/66/551751466.db2.gz FNWAUFKVVAQKCE-CURFSAIYSA-N 0 0 507.409 6.603 50 30 KKEARN C=CCOc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1OCC=C ZINC000002081080 551751498 /nfs/dbraw/zinc/75/14/98/551751498.db2.gz AEYWJPSLBAIBPP-WQRHYEAKSA-N 0 0 521.738 5.419 50 30 KKEARN CCc1ccccc1/N=C1\S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1CC ZINC000002081944 551752024 /nfs/dbraw/zinc/75/20/24/551752024.db2.gz SYNPXLVISFGRJW-MAHFEZJCSA-N 0 0 501.564 6.257 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc2scc(-c3ccccc3)c2c1=O ZINC000002083467 551753190 /nfs/dbraw/zinc/75/31/90/551753190.db2.gz XMTSAEURKYXZMO-UHFFFAOYSA-N 0 0 579.769 6.549 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O ZINC000002084633 551754344 /nfs/dbraw/zinc/75/43/44/551754344.db2.gz SHNJHVJBTCUXAV-QKSAGWNYSA-N 0 0 551.506 7.596 50 30 KKEARN COc1cc(Br)cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1O ZINC000002084893 551754655 /nfs/dbraw/zinc/75/46/55/551754655.db2.gz QQCNAZCYPYAMCN-WGMZJXQFSA-N 0 0 537.479 7.206 50 30 KKEARN C=CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2OCCC)cc1 ZINC000002085851 551755701 /nfs/dbraw/zinc/75/57/01/551755701.db2.gz DJBGWVQPSCZYSZ-VWLOTQADSA-N 0 0 536.426 5.714 50 30 KKEARN Cc1cc(C)cc(/N=C2\S/C(=C3\C(=O)Nc4c3ccc(Cl)c4C)C(=O)N2c2cc(C)cc(C)c2)c1 ZINC000002086997 551756588 /nfs/dbraw/zinc/75/65/88/551756588.db2.gz ICHQISLBUXYGEX-BRKSMKGBSA-N 0 0 502.039 7.013 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)nc2sc3c(c2c1=O)CCCCC3 ZINC000002087888 551757271 /nfs/dbraw/zinc/75/72/71/551757271.db2.gz XKBJDNJQBNWXEB-UHFFFAOYSA-N 0 0 579.769 6.549 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nc2sc(-c3ccccc3)cc2c1=O ZINC000002087881 551757308 /nfs/dbraw/zinc/75/73/08/551757308.db2.gz CVJPLGFFJPQGFH-UHFFFAOYSA-N 0 0 504.662 5.464 50 30 KKEARN C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002087658 551757328 /nfs/dbraw/zinc/75/73/28/551757328.db2.gz ACLCHGPLAGFKAP-UHFFFAOYSA-N 0 0 553.990 6.853 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000002089152 551758361 /nfs/dbraw/zinc/75/83/61/551758361.db2.gz AWWSEYBWKLDZAL-UHFFFAOYSA-N 0 0 571.091 6.517 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2cc(-c3nc4ccccc4o3)ccc2C)c1O ZINC000002091659 551758921 /nfs/dbraw/zinc/75/89/21/551758921.db2.gz KXOBXCLNCNPESL-OPEKNORGSA-N 0 0 516.189 6.793 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OCc1ccccc1 ZINC000002092083 551759175 /nfs/dbraw/zinc/75/91/75/551759175.db2.gz KKZAKDTYQJJVEZ-WJVKJDHCSA-N 0 0 577.721 7.512 50 30 KKEARN Cc1ccccc1/N=C1\S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1C ZINC000002092759 551759596 /nfs/dbraw/zinc/75/95/96/551759596.db2.gz GNDTVQBLLVCCRB-CURFSAIYSA-N 0 0 507.409 6.603 50 30 KKEARN CCc1ccc(/N=C2\S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002093179 551759714 /nfs/dbraw/zinc/75/97/14/551759714.db2.gz XXKUVDFBLSZHMK-MAHFEZJCSA-N 0 0 501.564 6.257 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(OC(C)=O)cc1Br)Nc1ccccc1-2 ZINC000002094645 551760668 /nfs/dbraw/zinc/76/06/68/551760668.db2.gz AUIADBULPPXWQT-FQEVSTJZSA-N 0 0 515.389 5.016 50 30 KKEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4c(C)oc5ccc(OCc6ccccc6)cc54)ccc3C2=O)o1 ZINC000002102635 551762493 /nfs/dbraw/zinc/76/24/93/551762493.db2.gz HTZJFPUOQFRATC-NTFVMDSBSA-N 0 0 506.510 7.057 50 30 biogenic KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1 ZINC000002106007 551763697 /nfs/dbraw/zinc/76/36/97/551763697.db2.gz ABNGNDHWUBQQRJ-VWLOTQADSA-N 0 0 574.899 6.467 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000002106531 551764092 /nfs/dbraw/zinc/76/40/92/551764092.db2.gz JQMDBXFDBUZKCW-HNNXBMFYSA-N 0 0 557.763 5.617 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3ccc(C(C)C)cc3)C4=O)c2c1 ZINC000002107555 551764744 /nfs/dbraw/zinc/76/47/44/551764744.db2.gz FFNRCVQFUBZHFM-LQNQUEJISA-N 0 0 530.576 8.067 50 30 biogenic KKEARN Cc1sc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc32)c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000002108173 551765372 /nfs/dbraw/zinc/76/53/72/551765372.db2.gz WRCYZNDCOPGWSO-UHFFFAOYSA-N 0 0 570.545 9.568 50 30 KKEARN CCc1ccc(-c2c(C)sc(NC(=O)c3cc(-c4cccc(OCC(C)C)c4)nc4ccccc43)c2C#N)cc1 ZINC000002108306 551765431 /nfs/dbraw/zinc/76/54/31/551765431.db2.gz QXZRJSNZCYCOLC-UHFFFAOYSA-N 0 0 545.708 8.660 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(COc2ccc(Br)cc2Cl)c1 ZINC000002108452 551765819 /nfs/dbraw/zinc/76/58/19/551765819.db2.gz SEDAQKKDYOENFG-VWLOTQADSA-N 0 0 560.872 6.221 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1 ZINC000002108500 551766086 /nfs/dbraw/zinc/76/60/86/551766086.db2.gz ZSZFYDOEEYROEW-AREMUKBSSA-N 0 0 528.020 6.234 50 30 KKEARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)c1 ZINC000002108677 551766216 /nfs/dbraw/zinc/76/62/16/551766216.db2.gz CZGPRKPXSMOLDA-UHFFFAOYSA-N 0 0 526.687 6.628 50 30 KKEARN CC(C)Oc1cccc(-c2cc(C(=O)NC(=S)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)c1 ZINC000002108686 551766239 /nfs/dbraw/zinc/76/62/39/551766239.db2.gz CIUFHWNCZRGGPU-GOSISDBHSA-N 0 0 540.714 6.874 50 30 KKEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000002112128 551767905 /nfs/dbraw/zinc/76/79/05/551767905.db2.gz SCHHHWXEIBNVEV-RUZDIDTESA-N 0 0 524.057 6.335 50 30 KKEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)ccc1OC)N(C(=O)CC)c1ccccc1-2 ZINC000002114342 551768894 /nfs/dbraw/zinc/76/88/94/551768894.db2.gz JSPYHSYGCPPMMO-JOCHJYFZSA-N 0 0 513.417 5.422 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CCC3)cc1 ZINC000002151432 551778365 /nfs/dbraw/zinc/77/83/65/551778365.db2.gz FQFBZIDMLHCLOU-MHZLTWQESA-N 0 0 513.037 6.630 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc1 ZINC000002151333 551778368 /nfs/dbraw/zinc/77/83/68/551778368.db2.gz BZYMYFFDJKCDLO-VWLOTQADSA-N 0 0 513.435 6.422 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c1 ZINC000002151474 551778587 /nfs/dbraw/zinc/77/85/87/551778587.db2.gz NOWZJYDWSFXACJ-AREMUKBSSA-N 0 0 515.009 6.021 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002151961 551778787 /nfs/dbraw/zinc/77/87/87/551778787.db2.gz RGPKDLBSXGUCIC-SANMLTNESA-N 0 0 578.587 6.395 50 30 KKEARN Cc1ccc(C(=O)C2=C(N)N(c3ccccc3C(F)(F)F)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002151987 551778791 /nfs/dbraw/zinc/77/87/91/551778791.db2.gz FFZMNYUILAMCDC-HHHXNRCGSA-N 0 0 574.599 7.043 50 30 KKEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000002152769 551779122 /nfs/dbraw/zinc/77/91/22/551779122.db2.gz QIACYQXKJWAVDE-NGOKVRLYSA-N 0 0 532.562 6.714 50 30 KKEARN N#Cc1c(NC(=O)COc2ccc(Cl)cc2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1 ZINC000002158799 551780310 /nfs/dbraw/zinc/78/03/10/551780310.db2.gz JSMXQXBCTJSZNV-UHFFFAOYSA-N 0 0 507.977 7.006 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000002159327 551780514 /nfs/dbraw/zinc/78/05/14/551780514.db2.gz GMLCYKXALNLKSZ-UNOMPAQXSA-N 0 0 539.366 5.630 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000002164228 551781581 /nfs/dbraw/zinc/78/15/81/551781581.db2.gz UZZRSXPWTKAART-QRQIAZFYSA-N 0 0 572.528 7.636 50 30 KKEARN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N1CC ZINC000002164244 551781816 /nfs/dbraw/zinc/78/18/16/551781816.db2.gz KPRKUYDJCGNYHO-YMURDISESA-N 0 0 538.511 6.748 50 30 KKEARN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002168819 551781977 /nfs/dbraw/zinc/78/19/77/551781977.db2.gz FFQTUKGBQYBVRP-UHFFFAOYSA-N 0 0 599.145 7.215 50 30 KKEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1-c1ccc(Cl)cc1Cl ZINC000002179293 551784662 /nfs/dbraw/zinc/78/46/62/551784662.db2.gz VAHKFPNYMJJWFN-AWEZNQCLSA-N 0 0 548.565 7.087 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002179829 551784687 /nfs/dbraw/zinc/78/46/87/551784687.db2.gz KGINEOIYRWLNPD-AJBULDERSA-N 0 0 546.465 6.184 50 30 KKEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cc(OC)ccc1OC ZINC000002185569 551786593 /nfs/dbraw/zinc/78/65/93/551786593.db2.gz IQBDCZVYOUGHRP-PBBNMVCDSA-N 0 0 519.638 5.807 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000002185702 551786967 /nfs/dbraw/zinc/78/69/67/551786967.db2.gz RWNUFVKNXWQDJH-UQBPGWFLSA-N 0 0 500.035 6.137 50 30 KKEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000002185693 551786970 /nfs/dbraw/zinc/78/69/70/551786970.db2.gz GIWFVTDPNNDTFJ-WGDIFIGCSA-N 0 0 507.970 5.168 50 30 KKEARN C#CCOc1c(I)cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002188144 551788414 /nfs/dbraw/zinc/78/84/14/551788414.db2.gz LOYIFOXPKOBEAP-MHZLTWQESA-N 0 0 563.435 6.775 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O ZINC000002188843 551788780 /nfs/dbraw/zinc/78/87/80/551788780.db2.gz OILUXMZKCSGURB-NVMNQCDNSA-N 0 0 520.246 5.164 50 30 KKEARN N#Cc1c(SCC(=O)Nc2nc3ccccc3s2)nsc1SCC(=O)Nc1nc2ccccc2s1 ZINC000002190327 551789459 /nfs/dbraw/zinc/78/94/59/551789459.db2.gz DQBXPLVNTQFQMN-UHFFFAOYSA-N 0 0 554.729 5.696 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002190947 551789722 /nfs/dbraw/zinc/78/97/22/551789722.db2.gz QUWGOVYSMZXZNC-SBUREZEXSA-N 0 0 521.626 6.425 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000002190950 551789927 /nfs/dbraw/zinc/78/99/27/551789927.db2.gz QUWGOVYSMZXZNC-UZUQRXQVSA-N 0 0 521.626 6.425 50 30 KKEARN COC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191857 551790339 /nfs/dbraw/zinc/79/03/39/551790339.db2.gz ZTSPAGWGZUEXNR-QKFKETGDSA-N 0 0 527.996 5.698 50 30 KKEARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)C(F)(F)F ZINC000002191806 551790351 /nfs/dbraw/zinc/79/03/51/551790351.db2.gz LMGFFYYMPQXCSU-VOIUYBSRSA-N 0 0 507.578 5.434 50 30 KKEARN C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000002196882 551792132 /nfs/dbraw/zinc/79/21/32/551792132.db2.gz AWSOIQLOCOBJRK-VWLOTQADSA-N 0 0 510.571 6.116 50 30 KKEARN CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000002200743 551792688 /nfs/dbraw/zinc/79/26/88/551792688.db2.gz CFWKCWNCCHQMMN-KRUMMXJUSA-N 0 0 506.031 5.787 50 30 KKEARN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4O)ccc3o2)cc1C ZINC000002216100 551794991 /nfs/dbraw/zinc/79/49/91/551794991.db2.gz JQSQWPYVTLVEMI-KBVAKVRCSA-N 0 0 511.419 7.921 50 30 KKEARN O=C(C=Cc1ccc(Cl)cc1)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccc(Cl)cc2)N1 ZINC000002247757 551800443 /nfs/dbraw/zinc/80/04/43/551800443.db2.gz SKVZSBCQYPXBGC-UMVIXXMZSA-N 0 0 522.823 6.945 50 30 KKEARN O=C(C=Cc1ccc(F)cc1)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(Cl)cc2)N1 ZINC000002257832 551803380 /nfs/dbraw/zinc/80/33/80/551803380.db2.gz QYDNQFOPBHOLDL-TXXDFOPUSA-N 0 0 506.368 6.430 50 30 KKEARN C[C@@H]1CN=C(N(C(=O)NC(Oc2ccccc2)(C(F)(F)F)C(F)(F)F)c2ccc(F)c(Cl)c2)S1 ZINC000002270336 551804965 /nfs/dbraw/zinc/80/49/65/551804965.db2.gz ULZMPUWIPOWYFW-LLVKDONJSA-N 0 0 529.865 6.386 50 30 KKEARN CCOc1ccc(C2=C(/C=N/c3ccc(NC(C)=O)cc3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000002298577 551807424 /nfs/dbraw/zinc/80/74/24/551807424.db2.gz ROLIDKOHCIYPMJ-QHGCQYGXSA-N 0 0 506.577 7.521 50 30 KKEARN CCOC(=O)[C@@](NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)(Oc1ccc(F)cc1)C(F)(F)F ZINC000002300402 551807793 /nfs/dbraw/zinc/80/77/93/551807793.db2.gz KFACUPGHUPWSPF-QGZVFWFLSA-N 0 0 502.770 5.520 50 30 KKEARN COc1ccc(/C=N/OCc2nc3c4c(ncn3n2)oc(-c2ccccc2)c4-c2ccccc2)cc1OC ZINC000002302138 551808157 /nfs/dbraw/zinc/80/81/57/551808157.db2.gz XFOUTBWIBNYXLR-WCMJOSRZSA-N 0 0 505.534 5.772 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451443 552078047 /nfs/dbraw/zinc/07/80/47/552078047.db2.gz XWQPUJVNDOLOPZ-RUZDIDTESA-N 0 0 560.628 5.676 50 30 KKEARN CCOc1cc(/C=N/NC(=S)NCc2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000002262530 552084950 /nfs/dbraw/zinc/08/49/50/552084950.db2.gz WJXLMRUZTGLGAF-RWPZCVJISA-N 0 0 516.436 5.564 50 30 KKEARN CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002266712 552085418 /nfs/dbraw/zinc/08/54/18/552085418.db2.gz UQUSFDNWGMJVLL-KSRKCLLLSA-N 0 0 535.478 6.548 50 30 KKEARN CC(C)OP(=O)(OC(C)C)[C@@]1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc21 ZINC000002275064 552086460 /nfs/dbraw/zinc/08/64/60/552086460.db2.gz WYWVFHQWDDIXIR-QFIPXVFZSA-N 0 0 542.388 5.336 50 30 KKEARN COc1ccc(-c2oc(/N=C/c3cc(Br)ccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000002276288 552086666 /nfs/dbraw/zinc/08/66/66/552086666.db2.gz WSUQECQZFOIGPH-WKULSOCRSA-N 0 0 503.352 6.721 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N3)CCCC2 ZINC000002287794 552087823 /nfs/dbraw/zinc/08/78/23/552087823.db2.gz UOWYNTBIXGYVEF-APWZRJJASA-N 0 0 540.398 6.914 50 30 KKEARN Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)[C@]4(F)OC(F)(F)C(F)(F)C4(F)F)cc3)sc2c1 ZINC000002295157 552089155 /nfs/dbraw/zinc/08/91/55/552089155.db2.gz HAZYMBLRYFPVKA-IBGZPJMESA-N 0 0 514.369 6.405 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000002316581 552092729 /nfs/dbraw/zinc/09/27/29/552092729.db2.gz ZVNZQGWVAMIVPW-JTQLQIEISA-N 0 0 505.452 6.142 50 30 KKEARN Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=N/NC(=S)NCc2ccccc2)c1 ZINC000002323846 552094893 /nfs/dbraw/zinc/09/48/93/552094893.db2.gz WMMFVBKZFQWVSP-UXHLAJHPSA-N 0 0 540.527 6.337 50 30 KKEARN CCOc1ccc2nc(S[C@H](Nc3sc4c(c3C#N)CCC4)c3ccc(Br)cc3)sc2c1 ZINC000002327968 552095695 /nfs/dbraw/zinc/09/56/95/552095695.db2.gz MTBDYRKSLNJFJG-QFIPXVFZSA-N 0 0 542.549 7.782 50 30 KKEARN Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1 ZINC000002346898 552099180 /nfs/dbraw/zinc/09/91/80/552099180.db2.gz UNUANWVTMOEIII-UHFFFAOYSA-N 0 0 537.622 6.324 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)c1ccc(Cl)cc1)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000002349087 552099731 /nfs/dbraw/zinc/09/97/31/552099731.db2.gz MRKVSDLORRXLNI-DEOSSOPVSA-N 0 0 525.354 5.710 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000002357699 552101598 /nfs/dbraw/zinc/10/15/98/552101598.db2.gz BCVPMQSGIUGYGQ-VQKGGZGBSA-N 0 0 513.391 5.508 50 30 KKEARN COc1ccc(/C=N/OCC(=O)Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000002366832 552104091 /nfs/dbraw/zinc/10/40/91/552104091.db2.gz DGBXJKUUNVGOQH-QXUDOOCXSA-N 0 0 530.584 6.333 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)C(=O)N2Cc1ccccc1Cl ZINC000002374775 552106074 /nfs/dbraw/zinc/10/60/74/552106074.db2.gz WUURUZOPEZLJRU-XMMPIXPASA-N 0 0 508.899 5.196 50 30 KKEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(Cl)cc1)-c1ccccc1CC21CCCCC1 ZINC000002388487 552108598 /nfs/dbraw/zinc/10/85/98/552108598.db2.gz DJJNZOHUKGENQG-UHFFFAOYSA-N 0 0 506.071 6.239 50 30 KKEARN CCCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc21 ZINC000002390249 552108847 /nfs/dbraw/zinc/10/88/47/552108847.db2.gz YKRCCHIAEBBJSG-UHFFFAOYSA-N 0 0 519.277 7.944 50 30 KKEARN Cc1ccc(N2C(=O)[C@](NS(=O)(=O)c3ccc(Cl)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002396939 552110450 /nfs/dbraw/zinc/11/04/50/552110450.db2.gz JSJIMCUCGVGADR-DEOSSOPVSA-N 0 0 540.991 5.226 50 30 KKEARN COc1ccc(N2C(=O)[C@](NC(=O)c3cccc(C(F)(F)F)c3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000002403839 552111992 /nfs/dbraw/zinc/11/19/92/552111992.db2.gz LNADPFVXYZJHHJ-DEOSSOPVSA-N 0 0 540.460 5.435 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2CCCc1ccccc1 ZINC000002436701 552118781 /nfs/dbraw/zinc/11/87/81/552118781.db2.gz VBUVQKMXIGEKBG-NDEPHWFRSA-N 0 0 518.620 5.882 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000002494986 552124652 /nfs/dbraw/zinc/12/46/52/552124652.db2.gz SJODODLOEVOIRU-MGBGTMOVSA-N 0 0 551.517 9.459 50 30 KKEARN O=C(C(=O)[C@H](c1ccccc1)[C@@H]1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000002518995 552126788 /nfs/dbraw/zinc/12/67/88/552126788.db2.gz GJTHMHRZFIJUGA-GJJQDPDKSA-N 0 0 532.639 7.816 50 30 KKEARN CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000002531874 552127597 /nfs/dbraw/zinc/12/75/97/552127597.db2.gz DUSUUPYIMNDMTD-CVKSISIWSA-N 0 0 528.428 5.396 50 30 KKEARN CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 ZINC000002531334 552127625 /nfs/dbraw/zinc/12/76/25/552127625.db2.gz XYJFHEDXGSNPHR-CCVNUDIWSA-N 0 0 516.406 5.250 50 30 KKEARN COc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000002533847 552128053 /nfs/dbraw/zinc/12/80/53/552128053.db2.gz YDMUVTFLLAHSAH-UHFFFAOYSA-N 0 0 522.346 6.141 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000002542095 552128330 /nfs/dbraw/zinc/12/83/30/552128330.db2.gz OQTVPCVCRANXLT-OAQYLSRUSA-N 0 0 505.334 6.075 50 30 KKEARN O=C(Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000002544053 552128691 /nfs/dbraw/zinc/12/86/91/552128691.db2.gz VSNHNFVRBZFCLK-BRJLIKDPSA-N 0 0 506.784 5.781 50 30 KKEARN O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000002543689 552128699 /nfs/dbraw/zinc/12/86/99/552128699.db2.gz NMPJDIGVWPUZAI-IPPBACCNSA-N 0 0 528.848 7.340 50 30 KKEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000002544422 552128890 /nfs/dbraw/zinc/12/88/90/552128890.db2.gz TXAQZRRCQZLWQW-KBVAKVRCSA-N 0 0 564.450 6.752 50 30 KKEARN CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000002613087 552136559 /nfs/dbraw/zinc/13/65/59/552136559.db2.gz WGQYVLMOQGOADX-QUPMIFSKSA-N 0 0 561.292 7.110 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000002621668 552137868 /nfs/dbraw/zinc/13/78/68/552137868.db2.gz SYBYYVONTKKURL-UHFFFAOYSA-N 0 0 538.931 5.721 50 30 KKEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 ZINC000002637564 552141594 /nfs/dbraw/zinc/14/15/94/552141594.db2.gz LILQCLRZSFPBLD-DEOSSOPVSA-N 0 0 512.477 5.097 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002643177 552143878 /nfs/dbraw/zinc/14/38/78/552143878.db2.gz HRXCYWUNVZZMGE-XMMPIXPASA-N 0 0 501.677 6.303 50 30 KKEARN N#Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002657029 552149430 /nfs/dbraw/zinc/14/94/30/552149430.db2.gz VJVNGZAWZSGSAR-UHFFFAOYSA-N 0 0 505.555 5.786 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002665635 552151525 /nfs/dbraw/zinc/15/15/25/552151525.db2.gz DZWOFZQUXKZNLT-LMSRTUJASA-N 0 0 581.477 5.540 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S ZINC000002665877 552151771 /nfs/dbraw/zinc/15/17/71/552151771.db2.gz RGXMYFWEBUCORB-UQQQWYQISA-N 0 0 503.693 6.660 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1)CCCC3 ZINC000002671026 552152713 /nfs/dbraw/zinc/15/27/13/552152713.db2.gz PCVAEQODWGIPFU-UHFFFAOYSA-N 0 0 577.584 6.608 50 30 KKEARN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(-c3ccccc3)c2c1=O ZINC000002679202 552154269 /nfs/dbraw/zinc/15/42/69/552154269.db2.gz SULGXDDQRHNPHI-UHFFFAOYSA-N 0 0 508.668 7.261 50 30 KKEARN C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)nc2sc3c(c2c1=O)CCCC3 ZINC000002679232 552154322 /nfs/dbraw/zinc/15/43/22/552154322.db2.gz MCFOAPBSOIJHKW-UHFFFAOYSA-N 0 0 592.108 7.578 50 30 KKEARN COc1cc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002719310 552163605 /nfs/dbraw/zinc/16/36/05/552163605.db2.gz IZEDTGGCHHNOGZ-OAQYLSRUSA-N 0 0 540.041 5.718 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719439 552163706 /nfs/dbraw/zinc/16/37/06/552163706.db2.gz QDBCJMIWQYYYJT-QFIPXVFZSA-N 0 0 548.621 5.601 50 30 KKEARN COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719485 552163999 /nfs/dbraw/zinc/16/39/99/552163999.db2.gz DUSVZTJKOPQOTH-QFIPXVFZSA-N 0 0 538.069 6.346 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002727136 552167417 /nfs/dbraw/zinc/16/74/17/552167417.db2.gz VIVPMGSKCXLHME-NIYFSFCBSA-N 0 0 509.986 5.010 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2c(F)cccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002727189 552167419 /nfs/dbraw/zinc/16/74/19/552167419.db2.gz HKRXIBACXRHCJO-JMQGSBJISA-N 0 0 538.040 6.524 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000002727265 552167542 /nfs/dbraw/zinc/16/75/42/552167542.db2.gz CTZUGIYTNCDHEG-CCLHPLFOSA-N 0 0 520.050 6.385 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002731664 552168248 /nfs/dbraw/zinc/16/82/48/552168248.db2.gz FCAUSICTNCICAB-FNZWTVRRSA-N 0 0 512.071 6.007 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002735265 552169512 /nfs/dbraw/zinc/16/95/12/552169512.db2.gz MVYJICVUWAAMPA-BCHFMIIMSA-N 0 0 522.623 5.261 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002735263 552169540 /nfs/dbraw/zinc/16/95/40/552169540.db2.gz MVYJICVUWAAMPA-SIBVEZHUSA-N 0 0 522.623 5.261 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002735264 552169547 /nfs/dbraw/zinc/16/95/47/552169547.db2.gz 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/nfs/dbraw/zinc/17/40/79/552174079.db2.gz QUOUWCZOKHJSFQ-QFIPXVFZSA-N 0 0 579.207 6.529 50 30 KKEARN C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000002753012 552176427 /nfs/dbraw/zinc/17/64/27/552176427.db2.gz COYUEUNNRKJSJV-UHFFFAOYSA-N 0 0 555.445 5.565 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000002753669 552176826 /nfs/dbraw/zinc/17/68/26/552176826.db2.gz IVIVMMAVNODBNU-HTOJEEBVSA-N 0 0 570.733 8.747 50 30 KKEARN COc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000002757443 552178773 /nfs/dbraw/zinc/17/87/73/552178773.db2.gz HDNIWHVYPINMOG-WTYVLRPYSA-N 0 0 506.042 6.586 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2cccc(Cl)c2)cc1 ZINC000002757408 552178793 /nfs/dbraw/zinc/17/87/93/552178793.db2.gz UUOOGYASGWELJF-QABMSTFYSA-N 0 0 528.048 6.496 50 30 KKEARN CCCOc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000002757402 552178797 /nfs/dbraw/zinc/17/87/97/552178797.db2.gz ZZEZBNKOVMGPCS-UTONBFNKSA-N 0 0 551.683 6.632 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000002757383 552178804 /nfs/dbraw/zinc/17/88/04/552178804.db2.gz KJSDZCUULQFACH-IPBJYNAHSA-N 0 0 539.628 5.688 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@H]3c2ccccc2OCc2ccccc2)cc1 ZINC000002757481 552178972 /nfs/dbraw/zinc/17/89/72/552178972.db2.gz NXAZICIOEBUESW-OOOSNSGVSA-N 0 0 551.683 6.835 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000002757696 552179296 /nfs/dbraw/zinc/17/92/96/552179296.db2.gz JKQYKKCDQYBEDF-PIKZIKFNSA-N 0 0 548.466 6.977 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000002757871 552179455 /nfs/dbraw/zinc/17/94/55/552179455.db2.gz AQIAITQBRRILQJ-CCLHPLFOSA-N 0 0 586.548 6.124 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(Br)c1 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COc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3C)c3ccc(Br)cc32)cc1Cl ZINC000003043015 552273924 /nfs/dbraw/zinc/27/39/24/552273924.db2.gz NODCXFYYEKKCTI-SLMZUGIISA-N 0 0 543.874 5.657 50 30 KKEARN N#Cc1ccccc1CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1 ZINC000003043220 552274449 /nfs/dbraw/zinc/27/44/49/552274449.db2.gz VJSRFMICQRMZAG-UHFFFAOYSA-N 0 0 506.609 5.923 50 30 KKEARN Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3c(C)cccc3C)c3cc(Br)ccc32)cc1 ZINC000003043958 552274673 /nfs/dbraw/zinc/27/46/73/552274673.db2.gz PJSUDFKIHZTTSK-NFFVHWSESA-N 0 0 507.457 5.612 50 30 KKEARN CCc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccc(Br)cc21 ZINC000003044035 552274871 /nfs/dbraw/zinc/27/48/71/552274871.db2.gz ULCBUUHACOBHGD-FAJYDZGRSA-N 0 0 525.447 5.697 50 30 KKEARN COc1cccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3Cl)c3ccc(Br)cc32)c1 ZINC000003043989 552274873 /nfs/dbraw/zinc/27/48/73/552274873.db2.gz LJFWVAGLRSCGGM-HFTWOUSFSA-N 0 0 547.837 5.488 50 30 KKEARN Cc1cccc(C)c1NC(=S)N/N=C1\C(=O)N(Cc2ccc(F)cc2Cl)c2ccc(Br)cc21 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C=CCn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003277681 552334597 /nfs/dbraw/zinc/33/45/97/552334597.db2.gz TVYYXTNYVQYFFI-GOSISDBHSA-N 0 0 533.744 6.651 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003280860 552335833 /nfs/dbraw/zinc/33/58/33/552335833.db2.gz ZELAWOQBVIEGRN-SFHVURJKSA-N 0 0 503.697 6.671 50 30 KKEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003280862 552335940 /nfs/dbraw/zinc/33/59/40/552335940.db2.gz ZELAWOQBVIEGRN-GOSISDBHSA-N 0 0 503.697 6.671 50 30 KKEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003288137 552338676 /nfs/dbraw/zinc/33/86/76/552338676.db2.gz RLAQHNWEVNHTGJ-OLZOCXBDSA-N 0 0 508.496 6.195 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2Br)ccc1Cl ZINC000003292940 552341533 /nfs/dbraw/zinc/34/15/33/552341533.db2.gz XIOLZEMMOJJHSL-UHFFFAOYSA-N 0 0 598.302 5.933 50 30 KKEARN 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C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1Cl ZINC000003437610 552386908 /nfs/dbraw/zinc/38/69/08/552386908.db2.gz MNZMIMLYPGZIDO-UHFFFAOYSA-N 0 0 544.485 6.751 50 30 KKEARN C=CCn1c(SCc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)nc2sc(C)c(C)c2c1=O ZINC000003441172 552387396 /nfs/dbraw/zinc/38/73/96/552387396.db2.gz PDADQHIIIQLNIF-RUZDIDTESA-N 0 0 555.519 6.923 50 30 KKEARN COC(=O)[C@@](NC(=O)Nc1ccc(OC(F)(F)F)cc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000003619704 552393185 /nfs/dbraw/zinc/39/31/85/552393185.db2.gz XAALKDJGTUUBOG-INIZCTEOSA-N 0 0 519.320 5.269 50 30 KKEARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000003625072 552395357 /nfs/dbraw/zinc/39/53/57/552395357.db2.gz JCZXAZXYCDVIQV-WINIVTDRSA-N 0 0 524.013 5.399 50 30 KKEARN CC1(C)NC(=S)NC[C@@]12C[C@H](c1cccs1)c1ccc3c(c1O2)Oc1cc(C#N)c(C#N)cc1O3 ZINC000003625412 552395596 /nfs/dbraw/zinc/39/55/96/552395596.db2.gz OUCPTLJGVQKBMP-QLXKLKPCSA-N 0 0 500.605 5.299 50 30 KKEARN 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CCOC(=O)c1ccc(-c2ccc(C=NN=c3nc(NCc4ccco4)[nH]c(Nc4ccc(OC)cc4)n3)o2)cc1 ZINC000004063872 552431959 /nfs/dbraw/zinc/43/19/59/552431959.db2.gz JOKKFXCKHAOVAT-FDAWAROLSA-N 0 0 553.579 5.712 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000004067339 552432646 /nfs/dbraw/zinc/43/26/46/552432646.db2.gz ZFCRXQZAVCZOCI-QHCPKHFHSA-N 0 0 532.475 6.033 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004067848 552433213 /nfs/dbraw/zinc/43/32/13/552433213.db2.gz AQLAIWANRXAKMY-OOWIMERYSA-N 0 0 523.629 6.069 50 30 KKEARN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1OC(=O)C1CCCCC1 ZINC000004079364 552433360 /nfs/dbraw/zinc/43/33/60/552433360.db2.gz IGNPKMXLTWQTIX-QCBOHVIISA-N 0 0 566.698 7.559 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Oc3ccccc3)c2)cc1OC ZINC000004081676 552433610 /nfs/dbraw/zinc/43/36/10/552433610.db2.gz IWMJWWNRHGYHOW-WYOOIXGGSA-N 0 0 518.613 7.476 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Oc3ccccc3)c2)cc1OC ZINC000004081682 552433636 /nfs/dbraw/zinc/43/36/36/552433636.db2.gz IWMJWWNRHGYHOW-PVAZPRTOSA-N 0 0 518.613 7.476 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(NC(C)=O)cc3)N(C3CCCCC3)C1=O)S2 ZINC000004082123 552433826 /nfs/dbraw/zinc/43/38/26/552433826.db2.gz RQGBEEZFJJBTQN-CNPBBGJZSA-N 0 0 508.669 5.960 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)cc2OC)cc1OC ZINC000004082259 552433845 /nfs/dbraw/zinc/43/38/45/552433845.db2.gz FICSJMLXDXWSGV-YVGXBJCXSA-N 0 0 516.594 5.709 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000004082226 552433861 /nfs/dbraw/zinc/43/38/61/552433861.db2.gz NEJJMKHQQYDKKH-GZGVDWRWSA-N 0 0 532.640 7.262 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000004082356 552433869 /nfs/dbraw/zinc/43/38/69/552433869.db2.gz GIVPXDGYYQXAEC-ZWVRTZEQSA-N 0 0 532.640 7.262 50 30 KKEARN 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CCN(CC)c1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1 ZINC000004109165 552437616 /nfs/dbraw/zinc/43/76/16/552437616.db2.gz ASTRUIRBORKHMF-GZCDXWOBSA-N 0 0 502.665 6.417 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C)c(Cl)c3)N(C3CCCCC3)C1=O)S2 ZINC000004109233 552437622 /nfs/dbraw/zinc/43/76/22/552437622.db2.gz HQOJIXFMPPQZSA-SMTACHQSSA-N 0 0 500.089 6.964 50 30 KKEARN Cc1ccc(C(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004109535 552437631 /nfs/dbraw/zinc/43/76/31/552437631.db2.gz SWMMUEYWRBYXCI-RIHQVDFKSA-N 0 0 578.581 6.712 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000004112765 552438357 /nfs/dbraw/zinc/43/83/57/552438357.db2.gz WIYVQIUCFPXCLE-WHLCRQNOSA-N 0 0 596.518 6.409 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000004112654 552438392 /nfs/dbraw/zinc/43/83/92/552438392.db2.gz QHYXCHWZBFOCMQ-DWACAAAGSA-N 0 0 508.058 6.690 50 30 KKEARN O=C(/C=C/c1ccc(OC(=O)CCCC(=O)Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000004118215 552438648 /nfs/dbraw/zinc/43/86/48/552438648.db2.gz ZAJZCUKRMYZSNQ-SIHVKLMXSA-N 0 0 544.603 7.160 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000004118840 552438872 /nfs/dbraw/zinc/43/88/72/552438872.db2.gz JCWJAMAGOUDFRE-OWNKRRAQSA-N 0 0 511.224 7.594 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OC(=O)c1cccc2ccccc21 ZINC000004119367 552439184 /nfs/dbraw/zinc/43/91/84/552439184.db2.gz RXVKGOBFFGSLKG-STKMKYKTSA-N 0 0 565.678 5.679 50 30 KKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)c(Br)cc1OCc1ccc(Br)cc1 ZINC000004196323 552448115 /nfs/dbraw/zinc/44/81/15/552448115.db2.gz LXQUVJMQIXUCRX-JJFYIABZSA-N 0 0 532.253 7.129 50 30 KKEARN CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(Cl)c3)cc2OCC)cc1 ZINC000004365537 552458221 /nfs/dbraw/zinc/45/82/21/552458221.db2.gz JCPUAAVKEGMZNT-OGLMXYFKSA-N 0 0 512.031 6.067 50 30 KKEARN C=CCn1c(/C=C(/OC(=O)c2ccc(Br)cc2)c2ccc(Br)cc2)nc2ccccc21 ZINC000004418789 552460085 /nfs/dbraw/zinc/46/00/85/552460085.db2.gz PBDDBXPEGMSOHW-XQNSMLJCSA-N 0 0 538.239 7.102 50 30 KKEARN O=[N+]([O-])c1ccc(NN=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)cc1 ZINC000004528457 552462844 /nfs/dbraw/zinc/46/28/44/552462844.db2.gz JHGRZIUFCWMPDC-ZMOGYAJESA-N 0 0 507.304 5.564 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004531525 552463617 /nfs/dbraw/zinc/46/36/17/552463617.db2.gz PWWBCLJSKVOECF-RTYGVXFXSA-N 0 0 667.416 9.031 50 30 KKEARN N#C[C@H](c1cccc2ccccc21)[C@H](CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000004546552 552465769 /nfs/dbraw/zinc/46/57/69/552465769.db2.gz XYOADJBZBNEWND-LOYHVIPDSA-N 0 0 504.427 8.419 50 30 KKEARN CCN(CC)c1ccc(CN=Nc2nc3ccccc3nc2N=NCc2ccc(N(CC)CC)cc2)cc1 ZINC000004551928 552465908 /nfs/dbraw/zinc/46/59/08/552465908.db2.gz RTNALLMOGUHAOL-RWRHWQIFSA-N 0 0 508.674 6.214 50 30 KKEARN Brc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc(-c3ccccc3)c2c1 ZINC000004577693 552468900 /nfs/dbraw/zinc/46/89/00/552468900.db2.gz VCHPRIKDMKQVGF-MZFJOGFUSA-N 0 0 545.444 7.358 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000004635783 552469541 /nfs/dbraw/zinc/46/95/41/552469541.db2.gz GMRRHMKRKFFTPD-WTYVLRPYSA-N 0 0 562.588 6.723 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004637325 552469830 /nfs/dbraw/zinc/46/98/30/552469830.db2.gz JUSDOPZAJKQOQS-NGOKVRLYSA-N 0 0 500.545 5.974 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000004636703 552469852 /nfs/dbraw/zinc/46/98/52/552469852.db2.gz BUOBHSWCFBNMNK-OAQYLSRUSA-N 0 0 505.334 6.075 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000004636142 552469891 /nfs/dbraw/zinc/46/98/91/552469891.db2.gz MHQPYUJMTMQVDE-PPHZAIPVSA-N 0 0 514.528 5.694 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000004641151 552470085 /nfs/dbraw/zinc/47/00/85/552470085.db2.gz LBSUJCWCRKFQPL-OWAUWMPXSA-N 0 0 557.565 5.428 50 30 KKEARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004793548 552485298 /nfs/dbraw/zinc/48/52/98/552485298.db2.gz FENGZFQXWPSJTE-NRFANRHFSA-N 0 0 536.495 6.334 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)[nH]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000004793616 552485460 /nfs/dbraw/zinc/48/54/60/552485460.db2.gz QFQSWWREKORVEW-FQEVSTJZSA-N 0 0 540.458 6.577 50 30 KKEARN O=c1[nH]ncc(NN=C(C=CCc2ccc(C(=NNc3cn[nH]c(=O)c3Cl)c3ccccc3)cc2)c2ccccc2)c1Cl ZINC000005315093 552497143 /nfs/dbraw/zinc/49/71/43/552497143.db2.gz WROFEIPNERXYTL-MZKOJJMCSA-N 0 0 611.493 5.640 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357365 552499607 /nfs/dbraw/zinc/49/96/07/552499607.db2.gz RSFDOCJTSCUAEZ-XMMPIXPASA-N 0 0 546.645 6.018 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005918601 552511678 /nfs/dbraw/zinc/51/16/78/552511678.db2.gz WPRQPBXNSUHWCL-WINIVTDRSA-N 0 0 501.579 5.951 50 30 KKEARN CCSc1sc(CC)cc1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000005928445 552513076 /nfs/dbraw/zinc/51/30/76/552513076.db2.gz CYQMBEUCQWAYDA-NRFANRHFSA-N 0 0 532.529 6.187 50 30 KKEARN Cc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1 ZINC000005941791 552514073 /nfs/dbraw/zinc/51/40/73/552514073.db2.gz MXJQFMURIDJZPK-UHFFFAOYSA-N 0 0 526.647 5.701 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000005944493 552514663 /nfs/dbraw/zinc/51/46/63/552514663.db2.gz VTGSPUMAADDXIP-SLGOVJDISA-N 0 0 558.644 8.314 50 30 KKEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000005944463 552514714 /nfs/dbraw/zinc/51/47/14/552514714.db2.gz LOKPTJJGMWXYPT-WKULSOCRSA-N 0 0 514.478 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7.379 50 30 KKEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000006094800 552534211 /nfs/dbraw/zinc/53/42/11/552534211.db2.gz AEKWZCPVNPQJTR-AREMUKBSSA-N 0 0 520.614 5.459 50 30 KKEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(Br)cc2)o1 ZINC000006136418 552541670 /nfs/dbraw/zinc/54/16/70/552541670.db2.gz XTQNVWFYIWYIPR-BHGWPJFGSA-N 0 0 551.317 5.142 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000006137173 552542618 /nfs/dbraw/zinc/54/26/18/552542618.db2.gz RQCXHCHPNVFIIL-SSEXGKCCSA-N 0 0 522.645 6.517 50 30 KKEARN O=C1N/C(=N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000006142424 552543526 /nfs/dbraw/zinc/54/35/26/552543526.db2.gz QRRWGRPMSKYHMA-DXDFFPPDSA-N 0 0 512.340 6.436 50 30 KKEARN N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1cccc(Oc2ccccc2)c1 ZINC000006144381 552546365 /nfs/dbraw/zinc/54/63/65/552546365.db2.gz CONLGHQFUKTNPM-UHFFFAOYSA-N 0 0 539.487 9.679 50 30 KKEARN N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1c(Cl)cccc1Cl ZINC000006144382 552546393 /nfs/dbraw/zinc/54/63/93/552546393.db2.gz DCFZPQNVPNNNJO-UHFFFAOYSA-N 0 0 516.280 9.193 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000006157036 552552675 /nfs/dbraw/zinc/55/26/75/552552675.db2.gz QJYHLTLUSZINPU-UHFFFAOYSA-N 0 0 527.649 7.694 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3-c3ccccc3)c2C#N)cc1OC ZINC000006162816 552555590 /nfs/dbraw/zinc/55/55/90/552555590.db2.gz GZZDADOMQIGZFL-UHFFFAOYSA-N 0 0 557.675 7.702 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000006177142 552559893 /nfs/dbraw/zinc/55/98/93/552559893.db2.gz HFPFZEVMABITPL-IBGZPJMESA-N 0 0 542.060 7.271 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000006195119 552566871 /nfs/dbraw/zinc/56/68/71/552566871.db2.gz KLWHLIMWYTUGGC-HSZRJFAPSA-N 0 0 536.378 5.417 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000006196030 552568195 /nfs/dbraw/zinc/56/81/95/552568195.db2.gz HNTHLRPVSMFUGY-WTYVLRPYSA-N 0 0 521.610 5.121 50 30 KKEARN CCOc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006197169 552569351 /nfs/dbraw/zinc/56/93/51/552569351.db2.gz MYLKHQOBMRBPEZ-ONOMSOESSA-N 0 0 519.638 5.663 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(CC)cc1 ZINC000006197645 552569568 /nfs/dbraw/zinc/56/95/68/552569568.db2.gz VHNLWPYJYFKFAC-BTYSJIOQSA-N 0 0 535.706 5.924 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3ccc(C)c(Cl)c3)c2C#N)cc1OC ZINC000006245813 552574357 /nfs/dbraw/zinc/57/43/57/552574357.db2.gz UIQMCVYVWFPMCL-UHFFFAOYSA-N 0 0 544.076 7.306 50 30 KKEARN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006245850 552574367 /nfs/dbraw/zinc/57/43/67/552574367.db2.gz GTLDNXPDIRUDKS-UHFFFAOYSA-N 0 0 512.034 7.183 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc(SCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)cc1 ZINC000006246467 552575307 /nfs/dbraw/zinc/57/53/07/552575307.db2.gz SNHUAOUMOSMGQW-UHFFFAOYSA-N 0 0 529.640 8.192 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000006280714 552576611 /nfs/dbraw/zinc/57/66/11/552576611.db2.gz IWSYCWMKZJBMHS-UHFFFAOYSA-N 0 0 500.023 6.989 50 30 KKEARN COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000006287621 552578348 /nfs/dbraw/zinc/57/83/48/552578348.db2.gz GMZWTFPUAKFHIR-GZGVDWRWSA-N 0 0 561.657 7.115 50 30 KKEARN Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000006443308 552585494 /nfs/dbraw/zinc/58/54/94/552585494.db2.gz DRDFGWGUKQOYTO-HSZRJFAPSA-N 0 0 519.714 8.321 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccccc3C)c2C#N)ccc1OCc1ccccc1 ZINC000006444143 552586727 /nfs/dbraw/zinc/58/67/27/552586727.db2.gz JXKVMAFEMXOFPO-VWLOTQADSA-N 0 0 585.729 8.303 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)c(OC)cc1Br ZINC000006444420 552586927 /nfs/dbraw/zinc/58/69/27/552586927.db2.gz GUOKQHYCTQDHBQ-DEOSSOPVSA-N 0 0 511.416 5.381 50 30 KKEARN Oc1ccc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000006473796 552591984 /nfs/dbraw/zinc/59/19/84/552591984.db2.gz OBFZVCLVLCAHAG-ZVHZXABRSA-N 0 0 523.338 5.115 50 30 KKEARN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000006474068 552592221 /nfs/dbraw/zinc/59/22/21/552592221.db2.gz ULRJHCHCPMOLIO-UHFFFAOYSA-N 0 0 544.164 8.527 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)NC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OCC ZINC000008195625 552984322 /nfs/dbraw/zinc/98/43/22/552984322.db2.gz QUVZKDZYEOYGKV-HHHXNRCGSA-O 0 0 551.770 6.609 50 30 KKEARN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000008383855 552987672 /nfs/dbraw/zinc/98/76/72/552987672.db2.gz FLGCCBOUIQZTRI-BMSWWRCESA-N 0 0 566.908 7.907 50 30 KKEARN O=C1/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000008383922 552988039 /nfs/dbraw/zinc/98/80/39/552988039.db2.gz VMYWIWRIKFJHAM-DLXOCVEYSA-N 0 0 642.344 8.327 50 30 KKEARN CCOC(=O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1Br ZINC000008384085 552988904 /nfs/dbraw/zinc/98/89/04/552988904.db2.gz DDIGCTXKMPPVQD-BUNZEZOSSA-N 0 0 541.423 5.788 50 30 KKEARN CC(C)N=C1N(C(C)C)C(=O)[C@]1(C(=O)C(C)(C)C)[C@@]1(C(C)(C)C)OC(=O)C(C(=O)C(C)(C)C)=C(C(C)(C)C)O1 ZINC000008384156 552988907 /nfs/dbraw/zinc/98/89/07/552988907.db2.gz YBWZIPXMMDIXFE-XKHXEOGRSA-N 0 0 546.749 5.877 50 30 KKEARN O=S(=O)(Oc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1 ZINC000008384734 552989888 /nfs/dbraw/zinc/98/98/88/552989888.db2.gz DYQMDCXEMCYVMJ-DHRITJCHSA-N 0 0 504.420 6.331 50 30 KKEARN CCCCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)c4ccc(CCCCCCC)cc4)cc3)cc2)cc1 ZINC000008385815 552991321 /nfs/dbraw/zinc/99/13/21/552991321.db2.gz VTFGFFVACDCFTQ-UHFFFAOYSA-N 0 0 604.835 11.009 50 30 KKEARN CCC(=O)Oc1c(/C=N/c2ccc(I)cc2C)c2c(cc1[N+](=O)[O-])oc1c2CCCC1 ZINC000008386577 552992367 /nfs/dbraw/zinc/99/23/67/552992367.db2.gz WNWGJVGPEJNVRN-BRJLIKDPSA-N 0 0 532.334 6.199 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)[C@@H](C(C)C)S2)cc1Cl ZINC000008387152 552993229 /nfs/dbraw/zinc/99/32/29/552993229.db2.gz YMWNIHGZLVVQFU-XFBJJFJZSA-N 0 0 516.044 5.147 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000008395959 552994361 /nfs/dbraw/zinc/99/43/61/552994361.db2.gz UUZXFWTYLIERMI-MUUNZHRXSA-N 0 0 515.451 6.835 50 30 KKEARN CC[C@H](C)Oc1ccc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(CC)C2=O)cc1Cl ZINC000008396027 552994459 /nfs/dbraw/zinc/99/44/59/552994459.db2.gz KCZNMSPPSVPATF-HGEQYNRTSA-N 0 0 500.064 5.978 50 30 KKEARN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000008396154 552994835 /nfs/dbraw/zinc/99/48/35/552994835.db2.gz MGCUSLJOERBXNN-WGOQTCKBSA-N 0 0 604.501 5.995 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2Cl)S/C(=C\c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000008396251 552995056 /nfs/dbraw/zinc/99/50/56/552995056.db2.gz LLSXXIVNAMTZMB-UCQKPKSFSA-N 0 0 616.892 6.682 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(OCC)c2)C1=O ZINC000008396245 552995085 /nfs/dbraw/zinc/99/50/85/552995085.db2.gz LVEKUIQVKRLGHQ-BRPDVVIDSA-N 0 0 579.674 6.679 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)c3ccccc3C)=C(C(=O)OCC)C2=O)cc1OC ZINC000008396239 552995094 /nfs/dbraw/zinc/99/50/94/552995094.db2.gz QYRYCZZQZRACKP-ZHZULCJRSA-N 0 0 605.450 5.035 50 30 KKEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)c2ccc(-c3ccc(C(=O)CSc4nc(C)cc(C(F)(F)F)c4C#N)cc3)cc2)n1 ZINC000008396835 552995864 /nfs/dbraw/zinc/99/58/64/552995864.db2.gz ZGECETODNRGIDU-UHFFFAOYSA-N 0 0 670.660 8.491 50 30 KKEARN Cc1nc(SCC(=O)c2ccc(C(=O)CSc3nc(C)c(C)c(C)c3C#N)cc2)c(C#N)c(C)c1C ZINC000008396906 552995958 /nfs/dbraw/zinc/99/59/58/552995958.db2.gz XXEURXUSBCLDCT-UHFFFAOYSA-N 0 0 514.676 6.020 50 30 KKEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc(C)c(C)c1C(=O)OCC ZINC000008397910 552997858 /nfs/dbraw/zinc/99/78/58/552997858.db2.gz YXQTYTGEYVVSQS-UHFFFAOYSA-N 0 0 652.582 6.515 50 30 KKEARN CCN1c2ccc(OC)cc2S/C1=C\C(=C1\S/C(=N\c2ccc(Cl)cc2)N(CC)C1=O)c1ccccc1 ZINC000008398270 552998700 /nfs/dbraw/zinc/99/87/00/552998700.db2.gz RKCVFYNXCCAPRA-BUDSZBIQSA-N 0 0 548.133 7.816 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398557 552999377 /nfs/dbraw/zinc/99/93/77/552999377.db2.gz DKJVICYLZCWXCC-UHFFFAOYSA-N 0 0 562.909 9.137 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000008398943 553000121 /nfs/dbraw/zinc/00/01/21/553000121.db2.gz BOQPLAUTHCGLAV-NRUKRWIHSA-N 0 0 545.595 6.818 50 30 KKEARN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000008399264 553000846 /nfs/dbraw/zinc/00/08/46/553000846.db2.gz NCRQSCHGJPQGGM-FSJBWODESA-N 0 0 611.290 6.154 50 30 KKEARN c1ccc(/N=C2C(=N\c3ccccc3)\N(C3CCCCC3)/C(=N\C3CCCCC3)N\2c2ccccc2)cc1 ZINC000008399360 553001174 /nfs/dbraw/zinc/00/11/74/553001174.db2.gz KRPRBJCVXFXTQL-QJDARYHTSA-N 0 0 503.694 8.290 50 30 KKEARN Cc1ccc(NC(=Nc2cccc3ccccc32)C(=Nc2cccc3ccccc32)Nc2ccc(C)cc2)cc1 ZINC000008399425 553001387 /nfs/dbraw/zinc/00/13/87/553001387.db2.gz CSDOMIOCPCKPRS-UHFFFAOYSA-N 0 0 518.664 9.594 50 30 KKEARN CC(C)(C)C1CCC(/N=C/c2ccc(Br)cc2)(c2nnnn2C(c2ccccc2)c2ccccc2)CC1 ZINC000008400169 553003689 /nfs/dbraw/zinc/00/36/89/553003689.db2.gz CFEXNZKBDUKRHM-STKMKYKTSA-N 0 0 556.552 7.624 50 30 KKEARN C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1Br ZINC000008400506 553004745 /nfs/dbraw/zinc/00/47/45/553004745.db2.gz PHMRCSPEZMEOBA-HZLKLEQGSA-N 0 0 505.821 5.365 50 30 KKEARN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 ZINC000008400655 553005197 /nfs/dbraw/zinc/00/51/97/553005197.db2.gz XFKDFZDYZFFQOX-HYVCQZIRSA-N 0 0 505.571 5.094 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000008400737 553005435 /nfs/dbraw/zinc/00/54/35/553005435.db2.gz JVDZNODAHVMMDW-ONUIUJJFSA-N 0 0 624.130 7.226 50 30 KKEARN Cc1ccc(N=CC23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)c(C)c1 ZINC000008405443 553006984 /nfs/dbraw/zinc/00/69/84/553006984.db2.gz JRCXZSUSJFSBOB-JEQUNIJOSA-N 0 0 527.580 6.165 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(S[C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)c2C#N)cc(OC)c1OC ZINC000008412002 553009658 /nfs/dbraw/zinc/00/96/58/553009658.db2.gz GTYUBXALXBFBKU-NDEPHWFRSA-N 0 0 565.651 6.046 50 30 KKEARN N#Cc1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc(-c2cccs2)cc1C(F)(F)F ZINC000008412901 553010005 /nfs/dbraw/zinc/01/00/05/553010005.db2.gz IELYYPGLCDOKAV-UHFFFAOYSA-N 0 0 525.602 7.622 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(S[C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)n2)cc1 ZINC000008412997 553010163 /nfs/dbraw/zinc/01/01/63/553010163.db2.gz RMSFSZMXAMNBQR-MUUNZHRXSA-N 0 0 519.626 6.337 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000008414777 553010504 /nfs/dbraw/zinc/01/05/04/553010504.db2.gz QNBXJYSFSLIFHW-DEOSSOPVSA-N 0 0 514.544 5.965 50 30 KKEARN CC1=C(C(=O)Nc2c(F)cccc2F)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000008414930 553010868 /nfs/dbraw/zinc/01/08/68/553010868.db2.gz PLERRJULEKSMMK-WXTAPIANSA-N 0 0 504.964 6.619 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000008415243 553010906 /nfs/dbraw/zinc/01/09/06/553010906.db2.gz ONHFBXSJZAQJQH-LJAQVGFWSA-N 0 0 530.571 6.159 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008415992 553011495 /nfs/dbraw/zinc/01/14/95/553011495.db2.gz WVVSWHRKCNRXOK-BUUDZMLXSA-N 0 0 524.013 5.063 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000008415923 553011528 /nfs/dbraw/zinc/01/15/28/553011528.db2.gz FKXFAIVAZFLUCC-MHZHKKNFSA-N 0 0 560.691 5.255 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000008424469 553013765 /nfs/dbraw/zinc/01/37/65/553013765.db2.gz YUBRJKSEOKTKKV-HKBQPEDESA-N 0 0 551.743 8.894 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008425196 553015024 /nfs/dbraw/zinc/01/50/24/553015024.db2.gz YMESHVDZWNQEPS-DICHSLLOSA-N 0 0 555.118 7.291 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000008425191 553015031 /nfs/dbraw/zinc/01/50/31/553015031.db2.gz YMESHVDZWNQEPS-IEWVHIKDSA-N 0 0 555.118 7.291 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])cc(C(=O)OC)c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000008425346 553015140 /nfs/dbraw/zinc/01/51/40/553015140.db2.gz AIJQHOMIZLPHJW-OEAKJJBVSA-N 0 0 575.574 7.506 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1 ZINC000008426302 553018109 /nfs/dbraw/zinc/01/81/09/553018109.db2.gz LMYZYUUPRHAROB-SURHFUCNSA-N 0 0 656.661 9.058 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000008426395 553018393 /nfs/dbraw/zinc/01/83/93/553018393.db2.gz ANPRVURRGGSACO-HXUWFJFHSA-N 0 0 512.462 6.570 50 30 KKEARN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1 ZINC000008426514 553018610 /nfs/dbraw/zinc/01/86/10/553018610.db2.gz UXQHGUPWCKBVAY-GDLZYMKVSA-N 0 0 555.725 7.240 50 30 KKEARN CCn1c2ccccc2nc1NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000008427035 553019368 /nfs/dbraw/zinc/01/93/68/553019368.db2.gz NLEKAYFMLSKJDY-AAEUAGOBSA-N 0 0 639.262 6.867 50 30 KKEARN CCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N2C(C)(C)CC(=NNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2(C)C)cc1 ZINC000008427055 553019383 /nfs/dbraw/zinc/01/93/83/553019383.db2.gz NWUCSIZMMMIHEB-UHFFFAOYSA-N 0 0 735.026 9.049 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(I)c1 ZINC000008427312 553019875 /nfs/dbraw/zinc/01/98/75/553019875.db2.gz ONDQQUSADRLJNN-NBKNYSPXSA-N 0 0 585.489 6.478 50 30 KKEARN O=C(OC1(C#CC2(OC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000008427561 553020093 /nfs/dbraw/zinc/02/00/93/553020093.db2.gz DKSGHBNGBMEANA-UHFFFAOYSA-N 0 0 520.538 5.926 50 30 KKEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000008430229 553021064 /nfs/dbraw/zinc/02/10/64/553021064.db2.gz HKPCOORUMHTBPZ-WQIZZMQYSA-N 0 0 579.447 6.183 50 30 KKEARN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OCc2ccccc2)c1 ZINC000008430563 553021783 /nfs/dbraw/zinc/02/17/83/553021783.db2.gz KDVDUBZMLVQCEA-CAQRMWTPSA-N 0 0 502.614 7.254 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000008430967 553022235 /nfs/dbraw/zinc/02/22/35/553022235.db2.gz NUISHAXADKCURG-AREMUKBSSA-N 0 0 546.421 6.814 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 ZINC000008431131 553022384 /nfs/dbraw/zinc/02/23/84/553022384.db2.gz QKCSXRVQBKKBGD-DULQHCOWSA-N 0 0 756.318 9.249 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000008431454 553023255 /nfs/dbraw/zinc/02/32/55/553023255.db2.gz HEPFGBXKPZXWSO-AREMUKBSSA-N 0 0 570.314 8.213 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000008431689 553023762 /nfs/dbraw/zinc/02/37/62/553023762.db2.gz CZUINNQNSWLWFE-UHFFFAOYSA-N 0 0 665.790 7.103 50 30 KKEARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)N6CCCCCC6)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000008431918 553024699 /nfs/dbraw/zinc/02/46/99/553024699.db2.gz PWBAWFYUOJVDSJ-VIKNTJCXSA-N 0 0 593.893 8.301 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4F)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008432175 553025438 /nfs/dbraw/zinc/02/54/38/553025438.db2.gz QPHBDEROVRRNTM-GPNASLBKSA-N 0 0 502.589 7.349 50 30 KKEARN Cc1c(C#N)c(NC(=O)CCSCCC(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)sc1C(=O)OC(C)C ZINC000008432418 553026105 /nfs/dbraw/zinc/02/61/05/553026105.db2.gz VXUVPKHOUZBRNG-UHFFFAOYSA-N 0 0 590.749 5.391 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000008432820 553027137 /nfs/dbraw/zinc/02/71/37/553027137.db2.gz AHFGIUPSFMSOPO-WJOKGBTCSA-N 0 0 523.677 6.998 50 30 KKEARN Cc1c(/N=C2\S/C(=C/c3ccc(C)cc3)C(=O)N2/N=C/c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008432983 553027650 /nfs/dbraw/zinc/02/76/50/553027650.db2.gz HGSWAQNCLJTNJC-SSACCTTNSA-N 0 0 521.646 5.739 50 30 KKEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008433087 553027996 /nfs/dbraw/zinc/02/79/96/553027996.db2.gz MLBISLNNBTVRAL-DWXRJYCRSA-N 0 0 560.494 7.177 50 30 KKEARN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000008438093 553032812 /nfs/dbraw/zinc/03/28/12/553032812.db2.gz RECZMGDFCRJGTK-ACJNQYEBSA-N 0 0 561.688 5.101 50 30 KKEARN C=C1O[C@]2(c3ccccc3)C(=C1C(C)=O)C(c1ccccc1)[C@H]1Sc3ccccc3N1[C@@H]2C(=O)c1ccccc1 ZINC000008438803 553035293 /nfs/dbraw/zinc/03/52/93/553035293.db2.gz WAPSUYINEWONMB-YAFWASLJSA-N 0 0 541.672 7.432 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccc(C)cc3)cc(-c3ccccc3)c1C#N)CCCC2 ZINC000008439961 553036255 /nfs/dbraw/zinc/03/62/55/553036255.db2.gz YJBCOBGEIOCYIY-UHFFFAOYSA-N 0 0 567.736 7.444 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000008440101 553036436 /nfs/dbraw/zinc/03/64/36/553036436.db2.gz ZSYZDHRWPRGCPK-WJOKGBTCSA-N 0 0 533.624 6.485 50 30 KKEARN CCCCCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000008440529 553037903 /nfs/dbraw/zinc/03/79/03/553037903.db2.gz DGHBLKNTTPGOCL-IIOGIKGTSA-N 0 0 577.765 8.551 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1COc1ccccc1C(N)=O ZINC000008440541 553037939 /nfs/dbraw/zinc/03/79/39/553037939.db2.gz UCVIDCVLMTYGPY-CYFIQEHSSA-N 0 0 628.729 6.077 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000008440750 553038369 /nfs/dbraw/zinc/03/83/69/553038369.db2.gz OIPUMOWYUQADDC-NEEKEDPPSA-N 0 0 507.630 6.233 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C ZINC000008440836 553038710 /nfs/dbraw/zinc/03/87/10/553038710.db2.gz KHQQIGCCYMYFKH-VWLOTQADSA-N 0 0 510.428 5.786 50 30 KKEARN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008440845 553038715 /nfs/dbraw/zinc/03/87/15/553038715.db2.gz GZTLKCPGQIJVJN-AZGAKELHSA-N 0 0 548.433 5.785 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C ZINC000008440842 553038722 /nfs/dbraw/zinc/03/87/22/553038722.db2.gz KHQQIGCCYMYFKH-RUZDIDTESA-N 0 0 510.428 5.786 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000008441050 553039201 /nfs/dbraw/zinc/03/92/01/553039201.db2.gz OPTCLZWHRPTWDW-HSZRJFAPSA-N 0 0 549.446 6.467 50 30 KKEARN COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)c(=O)n21 ZINC000008441008 553039214 /nfs/dbraw/zinc/03/92/14/553039214.db2.gz VGVOUTNLZLBCIE-FLGOMVIPSA-N 0 0 632.811 6.206 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3c(C)cccc3C)c2C#N)cc1OC ZINC000008441090 553039441 /nfs/dbraw/zinc/03/94/41/553039441.db2.gz BXCQOCYQNPDQQI-UHFFFAOYSA-N 0 0 523.658 6.961 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)cc1OC ZINC000008441411 553040723 /nfs/dbraw/zinc/04/07/23/553040723.db2.gz LVYANJDEXZDYTJ-UHFFFAOYSA-N 0 0 557.675 7.761 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)cc(C)c3)c2C#N)cc1OC ZINC000008441412 553040728 /nfs/dbraw/zinc/04/07/28/553040728.db2.gz VXRLFXQSSJQOMT-UHFFFAOYSA-N 0 0 509.631 6.652 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000008441603 553041165 /nfs/dbraw/zinc/04/11/65/553041165.db2.gz TUNXZACCWUKGNP-SANMLTNESA-N 0 0 503.551 5.398 50 30 KKEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008441763 553042212 /nfs/dbraw/zinc/04/22/12/553042212.db2.gz OVMYEZKEGRYSKD-SSEXGKCCSA-N 0 0 515.565 6.790 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C ZINC000008441740 553042251 /nfs/dbraw/zinc/04/22/51/553042251.db2.gz NTVDGTHMZSVPPO-HHHXNRCGSA-N 0 0 508.058 6.621 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C ZINC000008441777 553042272 /nfs/dbraw/zinc/04/22/72/553042272.db2.gz GOJRQIRWITVBAS-AREMUKBSSA-N 0 0 510.099 7.026 50 30 KKEARN CCc1sc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1 ZINC000008441838 553042674 /nfs/dbraw/zinc/04/26/74/553042674.db2.gz BTZIBHBQSJYALN-RUZDIDTESA-N 0 0 544.511 6.429 50 30 KKEARN O=C(CSc1nc2ccc(N=Cc3ccc([N+](=O)[O-])cc3)cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000008442641 553044171 /nfs/dbraw/zinc/04/41/71/553044171.db2.gz DEHSWKDYGQQRRS-UHFFFAOYSA-N 0 0 538.610 7.585 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Br)cc2)C2=C(N=3)c3ccccc3CC2)cc1Br ZINC000008442970 553044830 /nfs/dbraw/zinc/04/48/30/553044830.db2.gz ANPXWSONTYNUBL-QTTRZTASSA-N 0 0 713.289 7.171 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(OCc5ccc(C#N)cc5)cc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000008443278 553045871 /nfs/dbraw/zinc/04/58/71/553045871.db2.gz SCWOIHLYLHGJAF-XWRQZSIYSA-N 0 0 696.854 6.855 50 30 KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000008443834 553048053 /nfs/dbraw/zinc/04/80/53/553048053.db2.gz ADYVTBUUPUCTGB-UUWRZZSWSA-N 0 0 558.678 7.731 50 30 KKEARN CCOc1cc(/C=C2\CC/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc(Br)c1OC ZINC000008444020 553048779 /nfs/dbraw/zinc/04/87/79/553048779.db2.gz DCAZMXMOMXKECI-BEQMOXJMSA-N 0 0 566.286 6.856 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30 KKEARN CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2F)cc1 ZINC000008444278 553049752 /nfs/dbraw/zinc/04/97/52/553049752.db2.gz ZZFDIIOKYITCBC-HKBQPEDESA-N 0 0 526.652 7.852 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000008444270 553049762 /nfs/dbraw/zinc/04/97/62/553049762.db2.gz XIQQWIRAAORZND-UHFFFAOYSA-N 0 0 551.977 7.254 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008444273 553049803 /nfs/dbraw/zinc/04/98/03/553049803.db2.gz XZBNJOHUHMWZPD-UHFFFAOYSA-N 0 0 557.519 8.056 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000008444381 553050160 /nfs/dbraw/zinc/05/01/60/553050160.db2.gz KUZAOGPQXKIDEU-GPNASLBKSA-N 0 0 518.588 7.049 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000008444374 553050169 /nfs/dbraw/zinc/05/01/69/553050169.db2.gz KUZAOGPQXKIDEU-NRUKRWIHSA-N 0 0 518.588 7.049 50 30 KKEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008444415 553050324 /nfs/dbraw/zinc/05/03/24/553050324.db2.gz GUCNKWSFXQPOMB-WJVKJDHCSA-N 0 0 541.695 7.747 50 30 KKEARN N#Cc1c2c(sc1NC(=O)c1nn3c(c1Br)N[C@H](c1ccc(Br)s1)C[C@H]3C(F)(F)F)CCCC2 ZINC000008444594 553050847 /nfs/dbraw/zinc/05/08/47/553050847.db2.gz SCJOHOPCOIZNDW-FZMZJTMJSA-N 0 0 635.329 7.194 50 30 KKEARN O=S(=O)(ON=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1)c1ccccc1 ZINC000008444757 553051516 /nfs/dbraw/zinc/05/15/16/553051516.db2.gz QBZBXSAXWCMKQO-UHFFFAOYSA-N 0 0 539.656 7.984 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCc1ccccc1F ZINC000008444932 553052510 /nfs/dbraw/zinc/05/25/10/553052510.db2.gz VKWRDXMJOCGQKT-UYXCRFNSSA-N 0 0 654.804 6.767 50 30 KKEARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3c(C)cc(C)cc3C)c2C#N)cc1OC ZINC000008446053 553055304 /nfs/dbraw/zinc/05/53/04/553055304.db2.gz UWYOLIVQAWKUKD-UHFFFAOYSA-N 0 0 537.685 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553059531 /nfs/dbraw/zinc/05/95/31/553059531.db2.gz YUNWWTQGCGSEMU-ZUCAMLDZSA-N 0 0 664.731 5.693 50 30 KKEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC ZINC000008451066 553060064 /nfs/dbraw/zinc/06/00/64/553060064.db2.gz JHYDXOZBNFZQGU-UHFFFAOYSA-N 0 0 507.921 6.040 50 30 KKEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1OC ZINC000008451158 553060376 /nfs/dbraw/zinc/06/03/76/553060376.db2.gz NXEGUBBTXJMGIP-UHFFFAOYSA-N 0 0 558.607 6.199 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(-c4ccc(OC)cc4)c1C#N)CCC3)CCCC2 ZINC000008451143 553060379 /nfs/dbraw/zinc/06/03/79/553060379.db2.gz KCGJFYJFUUIXDD-UHFFFAOYSA-N 0 0 547.702 5.965 50 30 KKEARN CCOC(=O)c1sc(NC(=O)CSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)c(C#N)c1C ZINC000008451248 553060603 /nfs/dbraw/zinc/06/06/03/553060603.db2.gz DVOPUGPNAGDTFE-UHFFFAOYSA-N 0 0 510.563 5.419 50 30 KKEARN C=CCc1cc(/C=C2\C(C)=NN(c3nc(C)c(C(=O)OCC)s3)C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000008451634 553061759 /nfs/dbraw/zinc/06/17/59/553061759.db2.gz SRSUWVXZCYQHDE-MFKUBSTISA-N 0 0 570.671 6.012 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000008452261 553063309 /nfs/dbraw/zinc/06/33/09/553063309.db2.gz CKSXDEQULRCQEQ-BKMCGOQMSA-N 0 0 515.635 5.953 50 30 KKEARN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452367 553063538 /nfs/dbraw/zinc/06/35/38/553063538.db2.gz KMSLOYAUYQGRLD-PVBFVPCMSA-N 0 0 571.482 6.992 50 30 KKEARN Cc1ccc(/N=C2\S/C(=C3/c4ccccc4N(Cc4ccccc4)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000008452835 553064903 /nfs/dbraw/zinc/06/49/03/553064903.db2.gz ILQOFEGNZUNTRF-YVHPUJABSA-N 0 0 515.638 7.029 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S/C(=C3/c4cc([N+](=O)[O-])ccc4N(C)C3=O)C(=O)N2c2ccc(C(=O)OCC)cc2)cc1 ZINC000008452871 553064930 /nfs/dbraw/zinc/06/49/30/553064930.db2.gz VDMVUZPMOJHTEU-CDNMSKMOSA-N 0 0 600.609 5.103 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)C2=N)S1 ZINC000008452976 553065234 /nfs/dbraw/zinc/06/52/34/553065234.db2.gz FDPXFYCAJSSJTC-OHSQDCCFSA-N 0 0 522.602 6.033 50 30 KKEARN C=CCc1ccc(OCCOc2c(Cl)cc(C=NN=c3cc(N4CCCCC4)[nH]c(N4CCCCC4)n3)cc2OCC)c(OC)c1 ZINC000008453112 553065453 /nfs/dbraw/zinc/06/54/53/553065453.db2.gz ZGABYEPRLNXHBK-AUGOTPMTSA-N 0 0 649.236 7.150 50 30 KKEARN C=CCc1ccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c3ccccc32)c(OC)c1 ZINC000008453468 553066025 /nfs/dbraw/zinc/06/60/25/553066025.db2.gz XWRGQZHAQWHZKV-KDZKGHRDSA-N 0 0 589.721 6.742 50 30 KKEARN Cc1c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000008453553 553066523 /nfs/dbraw/zinc/06/65/23/553066523.db2.gz SMUHMZWMXNZNEX-UPZMMJCBSA-N 0 0 509.650 7.684 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000008454696 553069499 /nfs/dbraw/zinc/06/94/99/553069499.db2.gz AYBWPKYDULKECL-RVOWYZHXSA-N 0 0 580.622 7.867 50 30 KKEARN N#Cc1c(NC(=O)c2cccc(COc3ccccc3Cl)c2)sc2c1CCCCCCCCCC2 ZINC000008454905 553070010 /nfs/dbraw/zinc/07/00/10/553070010.db2.gz YPKXARPYGIYHCQ-UHFFFAOYSA-N 0 0 507.099 8.324 50 30 KKEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008455749 553073448 /nfs/dbraw/zinc/07/34/48/553073448.db2.gz YACALRSCCDEZAJ-GOXGLGGOSA-N 0 0 519.044 7.863 50 30 KKEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2C1 ZINC000008455825 553073879 /nfs/dbraw/zinc/07/38/79/553073879.db2.gz ITZFUOKPWLCVBT-VNNHTSALSA-N 0 0 554.425 7.160 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000008456328 553074426 /nfs/dbraw/zinc/07/44/26/553074426.db2.gz ODEZIPFQWRWNCD-LJAQVGFWSA-N 0 0 559.460 6.564 50 30 KKEARN O=C(N1CCc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008457171 553075207 /nfs/dbraw/zinc/07/52/07/553075207.db2.gz DIYNDAXSMBBFBL-UHFFFAOYSA-N 0 0 547.233 6.288 50 30 KKEARN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000008461816 553075462 /nfs/dbraw/zinc/07/54/62/553075462.db2.gz RAPZEGJEISTGSY-UHFFFAOYSA-N 0 0 605.573 7.172 50 30 KKEARN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008492939 553076059 /nfs/dbraw/zinc/07/60/59/553076059.db2.gz WMNJDMCCYIWTOD-OCSSWDANSA-N 0 0 584.494 5.397 50 30 KKEARN CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000008493922 553076519 /nfs/dbraw/zinc/07/65/19/553076519.db2.gz GATCZGSFUXUSJI-FKWWRXPXSA-N 0 0 542.020 5.857 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000008569220 553078031 /nfs/dbraw/zinc/07/80/31/553078031.db2.gz PWYKMCJOMPTJQJ-AREMUKBSSA-N 0 0 500.526 5.232 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000008567679 553078052 /nfs/dbraw/zinc/07/80/52/553078052.db2.gz ZIPFJBKWMTUCIF-MUUNZHRXSA-N 0 0 541.579 5.278 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008577234 553078236 /nfs/dbraw/zinc/07/82/36/553078236.db2.gz DBQACRQJDCBBNL-PMERELPUSA-N 0 0 550.611 5.852 50 30 KKEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C1/SC(=S)N(C)N[C@H]1c1ccccc1 ZINC000008648601 553107026 /nfs/dbraw/zinc/10/70/26/553107026.db2.gz JBYJWKGPGSNCHQ-LMDRICNOSA-N 0 0 507.424 5.637 50 30 KKEARN N#Cc1c(S[C@H](C(=O)Nc2c(F)cccc2F)c2ccccc2)nc(-c2cccs2)cc1C(F)(F)F ZINC000008648812 553107241 /nfs/dbraw/zinc/10/72/41/553107241.db2.gz FYUKGWCSTQDARN-QFIPXVFZSA-N 0 0 531.531 7.451 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3nc4ccccc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000008666092 553109413 /nfs/dbraw/zinc/10/94/13/553109413.db2.gz NFOHHVFYENVQRU-HSZRJFAPSA-N 0 0 503.624 5.556 50 30 KKEARN Clc1ccc(COc2cccc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c2)c(Cl)c1 ZINC000008694747 553120591 /nfs/dbraw/zinc/12/05/91/553120591.db2.gz JNRQTYUHKFUCSE-UXHLAJHPSA-N 0 0 540.499 6.184 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008694792 553120607 /nfs/dbraw/zinc/12/06/07/553120607.db2.gz PPBDJMXXPNSKTN-YTTGMZPUSA-N 0 0 547.611 7.241 50 30 KKEARN Clc1ccccc1COc1ccc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000008694777 553120616 /nfs/dbraw/zinc/12/06/16/553120616.db2.gz WNVFKMDSGZARRY-OCSSWDANSA-N 0 0 594.901 5.893 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000008694774 553120642 /nfs/dbraw/zinc/12/06/42/553120642.db2.gz ZVDGPJIJUNPDMQ-RDRPBHBLSA-N 0 0 516.005 5.130 50 30 KKEARN COc1ccc2[nH]c(C)c(CCNC(c3ccc(F)cc3)=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1 ZINC000008695170 553121156 /nfs/dbraw/zinc/12/11/56/553121156.db2.gz ARQAKERGIBBPAT-FTTXPQLCSA-N 0 0 588.639 6.472 50 30 KKEARN Clc1ccc(COc2ccccc2CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000008695534 553121889 /nfs/dbraw/zinc/12/18/89/553121889.db2.gz ZWAYTBGSJZYHJT-NDZAJKAJSA-N 0 0 514.033 6.284 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]3c3cccs3)C2)cc1 ZINC000008695561 553121901 /nfs/dbraw/zinc/12/19/01/553121901.db2.gz WZCNTSYCLMAYNZ-WWOZWPLTSA-N 0 0 590.532 8.670 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000008738014 553130803 /nfs/dbraw/zinc/13/08/03/553130803.db2.gz RRQIYSTUTXRUDL-INJOXJOKSA-N 0 0 507.678 7.234 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008739249 553131370 /nfs/dbraw/zinc/13/13/70/553131370.db2.gz CMQIYYIWWAPCCD-XMMPIXPASA-N 0 0 518.566 5.798 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)c1 ZINC000008739818 553131617 /nfs/dbraw/zinc/13/16/17/553131617.db2.gz HULAUPMTUWZNSS-XMMPIXPASA-N 0 0 500.576 5.713 50 30 KKEARN CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000008740091 553131833 /nfs/dbraw/zinc/13/18/33/553131833.db2.gz KMDHIRGFRAIIQQ-RXUNUVSVSA-N 0 0 524.767 7.407 50 30 biogenic KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008740274 553132140 /nfs/dbraw/zinc/13/21/40/553132140.db2.gz ZAXFZEJSQQUCBL-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008740707 553132445 /nfs/dbraw/zinc/13/24/45/553132445.db2.gz JMUVNZQYDRPQIU-DEOSSOPVSA-N 0 0 500.576 5.659 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008743353 553133478 /nfs/dbraw/zinc/13/34/78/553133478.db2.gz IDGOCQGLQQYRSG-HSZRJFAPSA-N 0 0 500.576 5.659 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000008753229 553135355 /nfs/dbraw/zinc/13/53/55/553135355.db2.gz JZKNWYQIRMPUSI-MJVKXCJRSA-N 0 0 616.758 8.224 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000008753269 553135692 /nfs/dbraw/zinc/13/56/92/553135692.db2.gz FGNDYZKPCWKGSY-MUVVOIGYSA-N 0 0 604.703 6.864 50 30 KKEARN Cc1ccc(N(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008754557 553135880 /nfs/dbraw/zinc/13/58/80/553135880.db2.gz MFWUQUYGEJYVAD-XMMPIXPASA-N 0 0 512.631 5.309 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(Br)c2)cc1 ZINC000008775601 553142283 /nfs/dbraw/zinc/14/22/83/553142283.db2.gz RWDWCJMJOVHZIH-SANMLTNESA-N 0 0 545.433 6.150 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008775596 553142398 /nfs/dbraw/zinc/14/23/98/553142398.db2.gz RWDWCJMJOVHZIH-AREMUKBSSA-N 0 0 545.433 6.150 50 30 KKEARN O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 ZINC000008782140 553144754 /nfs/dbraw/zinc/14/47/54/553144754.db2.gz MBWANUFNWNURBW-VFLNYLIXSA-N 0 0 503.933 6.805 50 30 KKEARN COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c([C@H](C#N)c4ccc(Cl)cc4)cc3C)CC2=O)cc1 ZINC000008782414 553144986 /nfs/dbraw/zinc/14/49/86/553144986.db2.gz OAESAJHCAMZQDZ-FDDCHVKYSA-N 0 0 508.405 5.958 50 30 KKEARN COc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c([C@@H](C#N)c4ccc(Cl)cc4)cc3C)CC2=O)cc1 ZINC000008782412 553144990 /nfs/dbraw/zinc/14/49/90/553144990.db2.gz OAESAJHCAMZQDZ-MBSDFSHPSA-N 0 0 508.405 5.958 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008818418 553153695 /nfs/dbraw/zinc/15/36/95/553153695.db2.gz JMLCACZXXMRYOH-GDLZYMKVSA-N 0 0 504.586 6.056 50 30 KKEARN COc1cc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C#N)c(OC)cc1Cl ZINC000008830834 553158227 /nfs/dbraw/zinc/15/82/27/553158227.db2.gz KHQSOHDGCKXMLK-UHFFFAOYSA-N 0 0 633.126 6.600 50 30 KKEARN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008836110 553162777 /nfs/dbraw/zinc/16/27/77/553162777.db2.gz CENLXBPKHZZEHS-MHZLTWQESA-N 0 0 519.649 5.064 50 30 KKEARN C=CCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000008837201 553163715 /nfs/dbraw/zinc/16/37/15/553163715.db2.gz PLULSVUPLGHWDT-WNCULLNHSA-N 0 0 511.405 6.818 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008837592 553163989 /nfs/dbraw/zinc/16/39/89/553163989.db2.gz MNBUAVHSQDJVGP-JOCHJYFZSA-N 0 0 520.994 6.058 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845800 553165739 /nfs/dbraw/zinc/16/57/39/553165739.db2.gz QVLMGPHPSVYOLO-UPCLLVRISA-N 0 0 519.623 5.378 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000008846359 553166056 /nfs/dbraw/zinc/16/60/56/553166056.db2.gz DBOABUYSCPZZAG-JIYROHSKSA-N 0 0 512.625 7.315 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1cccnc1 ZINC000008846350 553166148 /nfs/dbraw/zinc/16/61/48/553166148.db2.gz SGFYSGLIADLYHD-HPMVVLTCSA-N 0 0 521.705 7.860 50 30 KKEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008861793 553170548 /nfs/dbraw/zinc/17/05/48/553170548.db2.gz PSPKQCRXKORKIS-SRZZPIQSSA-N 0 0 510.459 5.335 50 30 KKEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCCCC4)n3)o2)c(Cl)c1 ZINC000008872008 553171873 /nfs/dbraw/zinc/17/18/73/553171873.db2.gz WLLBJROJKURDJV-WGOQTCKBSA-N 0 0 510.986 5.120 50 30 KKEARN O=[N+]([O-])c1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1Br ZINC000008872236 553172909 /nfs/dbraw/zinc/17/29/09/553172909.db2.gz LKOXEULZBQJGDI-ZVHZXABRSA-N 0 0 505.336 5.476 50 30 KKEARN COc1ccc(Nc2nc(N=NC(C)c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872703 553173775 /nfs/dbraw/zinc/17/37/75/553173775.db2.gz GMBKSGWSEZSYGE-FJEPWZHXSA-N 0 0 515.490 5.020 50 30 KKEARN c1ccc(COc2cccc(CN=Nc3nc(N=NCc4cccc(OCc5ccccc5)c4)nc(N(c4ccccc4)c4ccccc4)n3)c2)cc1 ZINC000008872761 553174089 /nfs/dbraw/zinc/17/40/89/553174089.db2.gz HYRNWYYSOKLOSB-DNBAPOOWSA-N 0 0 696.815 9.391 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872903 553174320 /nfs/dbraw/zinc/17/43/20/553174320.db2.gz BILFIDLUFGBHDD-NTFVMDSBSA-N 0 0 567.522 5.890 50 30 KKEARN Cc1ccc(Nc2nc(N=NCc3cccc(Br)c3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872871 553174356 /nfs/dbraw/zinc/17/43/56/553174356.db2.gz NOUGTZKVQNNXQD-VULFUBBASA-N 0 0 533.390 6.092 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc(Br)c1O ZINC000008872915 553174365 /nfs/dbraw/zinc/17/43/65/553174365.db2.gz OZLJELJBXORSPA-DHRITJCHSA-N 0 0 551.361 5.190 50 30 KKEARN O=C(Nc1nc(-c2ccc(F)cc2)cn1/N=C/c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F ZINC000008873002 553174614 /nfs/dbraw/zinc/17/46/14/553174614.db2.gz WEZFHKPOUDZPSJ-VPUKRXIYSA-N 0 0 504.299 6.800 50 30 KKEARN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4Cl)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000008872967 553174648 /nfs/dbraw/zinc/17/46/48/553174648.db2.gz ZINQLDZGOCTMCB-FDVSRXAVSA-N 0 0 526.403 6.757 50 30 KKEARN Cc1ccc(C(=O)C=CNc2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)cc1 ZINC000008873849 553174816 /nfs/dbraw/zinc/17/48/16/553174816.db2.gz QAYSXDIWXLJFQO-KHPPLWFESA-N 0 0 500.952 6.197 50 30 KKEARN FC(F)(F)c1nnc2c(N3CCC(=NOCc4ccc(Cl)cc4)CC3)nc3ccc(Cl)cc3n21 ZINC000008873775 553174868 /nfs/dbraw/zinc/17/48/68/553174868.db2.gz SOKUIMNWPACGHS-UHFFFAOYSA-N 0 0 509.319 5.776 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1cccc(Cl)c1 ZINC000008892448 553176862 /nfs/dbraw/zinc/17/68/62/553176862.db2.gz IYHIWNUXEBERCY-UVZMICEWSA-N 0 0 530.112 7.635 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008893077 553177040 /nfs/dbraw/zinc/17/70/40/553177040.db2.gz SJILFHRKTKJXMW-MHZLTWQESA-N 0 0 520.670 5.074 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000008894022 553177179 /nfs/dbraw/zinc/17/71/79/553177179.db2.gz SREDVBSOOZCYOI-HSZRJFAPSA-N 0 0 515.547 5.613 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008894478 553177547 /nfs/dbraw/zinc/17/75/47/553177547.db2.gz DGVOERJKLHHEIH-AREMUKBSSA-N 0 0 510.659 7.248 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008894130 553177565 /nfs/dbraw/zinc/17/75/65/553177565.db2.gz VDENTRCCZPUCGY-QHCPKHFHSA-N 0 0 504.995 6.304 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008896534 553178803 /nfs/dbraw/zinc/17/88/03/553178803.db2.gz IRPBKNOLTRJWQR-QHCPKHFHSA-N 0 0 500.576 5.713 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896778 553179061 /nfs/dbraw/zinc/17/90/61/553179061.db2.gz VZUVENCFYAVSQI-QHCPKHFHSA-N 0 0 504.995 6.304 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc(OC)c1 ZINC000008916661 553186756 /nfs/dbraw/zinc/18/67/56/553186756.db2.gz FIGNKWDRYFQGOP-HEIROHQZSA-N 0 0 529.080 7.830 50 30 KKEARN Cc1c(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc2n1Cc1cccc(C)c1 ZINC000008916852 553186843 /nfs/dbraw/zinc/18/68/43/553186843.db2.gz MZIYZPPUNQWZIG-RUMWWMSVSA-N 0 0 522.701 5.918 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008921513 553189747 /nfs/dbraw/zinc/18/97/47/553189747.db2.gz FIHNUAXSLKSOLA-HSZRJFAPSA-N 0 0 516.575 5.495 50 30 KKEARN C=CCOc1ccc(C(C2C(=O)CC(c3ccccc3)CC2=O)C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000008926008 553191077 /nfs/dbraw/zinc/19/10/77/553191077.db2.gz XVYVGLZHZJTCIY-UHFFFAOYSA-N 0 0 520.625 5.999 50 30 KKEARN Cc1ccc(C)c(CN2c3ccc(Br)cc3[C@@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1 ZINC000008927727 553192124 /nfs/dbraw/zinc/19/21/24/553192124.db2.gz ZHXLNSGJUBXLRP-YRBQZFGKSA-N 0 0 516.435 6.029 50 30 KKEARN O=c1oc2ccc(Br)cc2cc1-c1csc(N=NCc2ccc(Br)cc2)n1 ZINC000008951185 553193423 /nfs/dbraw/zinc/19/34/23/553193423.db2.gz RLYULDSEAIXWRC-LSFURLLWSA-N 0 0 505.191 5.888 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008964766 553194764 /nfs/dbraw/zinc/19/47/64/553194764.db2.gz ZOOAIEZLCAMZFL-CHJDUVSTSA-N 0 0 510.590 5.792 50 30 biogenic KKEARN N#C[C@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008980305 553196039 /nfs/dbraw/zinc/19/60/39/553196039.db2.gz JNFNZFNHCKBDOA-QFIPXVFZSA-N 0 0 523.559 5.458 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000008996660 553197497 /nfs/dbraw/zinc/19/74/97/553197497.db2.gz CJVKOFGOSGUZRM-XMMPIXPASA-N 0 0 516.575 5.413 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000009007522 553198082 /nfs/dbraw/zinc/19/80/82/553198082.db2.gz ODKSXVSPCKEJCS-DEOSSOPVSA-N 0 0 516.575 5.495 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009007733 553198258 /nfs/dbraw/zinc/19/82/58/553198258.db2.gz YMAALPSYAPXXLK-XMMPIXPASA-N 0 0 516.575 5.495 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009008554 553199006 /nfs/dbraw/zinc/19/90/06/553199006.db2.gz OHRCOWDETXBVIP-DEOSSOPVSA-N 0 0 502.567 6.350 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000009011985 553199830 /nfs/dbraw/zinc/19/98/30/553199830.db2.gz JRDSMGABDMROBV-HEIROHQZSA-N 0 0 513.081 8.129 50 30 KKEARN CC(=C1C(=O)c2ccccc2C1=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009013441 553200114 /nfs/dbraw/zinc/20/01/14/553200114.db2.gz RDIUVFFENQIASV-LJAQVGFWSA-N 0 0 523.032 7.310 50 30 KKEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCC(=O)c4cccc([N+](=O)[O-])c4)nnc3c2CO1 ZINC000009015926 553200561 /nfs/dbraw/zinc/20/05/61/553200561.db2.gz GHQOTLCCGVNIBD-UHFFFAOYSA-N 0 0 514.567 5.079 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009019167 553200722 /nfs/dbraw/zinc/20/07/22/553200722.db2.gz AAEYFBBGHJDNBK-LJAQVGFWSA-N 0 0 529.633 6.437 50 30 KKEARN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCC(C)C ZINC000009020088 553201338 /nfs/dbraw/zinc/20/13/38/553201338.db2.gz ZNLDHJXOJKZDER-NDEPHWFRSA-N 0 0 512.650 6.501 50 30 KKEARN CCCOc1ccccc1[C@H]1CC(=O)C2C(=Nc3ccccc3N(C(=O)CC)[C@H]2c2ccc(OC)cc2)C1 ZINC000009041882 553202402 /nfs/dbraw/zinc/20/24/02/553202402.db2.gz MJHZXZCGVYCEKR-KCEHZKJRSA-N 0 0 510.634 6.795 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009044581 553203237 /nfs/dbraw/zinc/20/32/37/553203237.db2.gz LBJWOQXZOYMTNO-DEOSSOPVSA-N 0 0 518.566 5.852 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009045881 553203529 /nfs/dbraw/zinc/20/35/29/553203529.db2.gz OXQMLXXWPYDWRM-DEOSSOPVSA-N 0 0 517.050 7.339 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046182 553203725 /nfs/dbraw/zinc/20/37/25/553203725.db2.gz TXLLBMNJJKSNRJ-DEOSSOPVSA-N 0 0 519.022 6.748 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009046338 553203764 /nfs/dbraw/zinc/20/37/64/553203764.db2.gz RANIMPPFPPGAGJ-QHCPKHFHSA-N 0 0 524.415 5.103 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046211 553203836 /nfs/dbraw/zinc/20/38/36/553203836.db2.gz KQDRJNTXSZRWEA-DEOSSOPVSA-N 0 0 502.567 6.234 50 30 KKEARN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])c(Nc2ccccc2/N=C/c2ccccc2O)c([N+](=O)[O-])c1 ZINC000009046580 553204007 /nfs/dbraw/zinc/20/40/07/553204007.db2.gz NVDRKYDYBMFRRU-RWPZCVJISA-N 0 0 515.457 6.094 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000009046738 553204255 /nfs/dbraw/zinc/20/42/55/553204255.db2.gz QKEXHEXLFRRNBI-CAQRMWTPSA-N 0 0 525.693 7.607 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009046650 553204316 /nfs/dbraw/zinc/20/43/16/553204316.db2.gz DBRLPKHVHGDHKT-HSZRJFAPSA-N 0 0 504.995 6.440 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Br)cc1)[C@H]2c1ccc(F)cc1 ZINC000009066970 553206337 /nfs/dbraw/zinc/20/63/37/553206337.db2.gz RTSURMGNNYXQDD-SANMLTNESA-N 0 0 519.414 7.045 50 30 KKEARN O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(C(F)(F)F)cc2)S1 ZINC000009075859 553207483 /nfs/dbraw/zinc/20/74/83/553207483.db2.gz VVSDMPSAVMWLQF-HFBYFEGMSA-N 0 0 511.569 5.586 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000009075839 553207516 /nfs/dbraw/zinc/20/75/16/553207516.db2.gz LDODWTDKMVHUDY-IOYDYCAWSA-N 0 0 508.043 6.289 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000009113424 553210772 /nfs/dbraw/zinc/21/07/72/553210772.db2.gz IDOBUNAFIPLMJB-VKGTZQKMSA-N 0 0 529.589 5.043 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000009113422 553210797 /nfs/dbraw/zinc/21/07/97/553210797.db2.gz IDOBUNAFIPLMJB-GDJIYFAZSA-N 0 0 529.589 5.043 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000009123675 553212334 /nfs/dbraw/zinc/21/23/34/553212334.db2.gz LPPPZGCWDDFXRU-RUZDIDTESA-N 0 0 514.622 7.133 50 30 KKEARN CCOc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000009128591 553212983 /nfs/dbraw/zinc/21/29/83/553212983.db2.gz DAUXJMOKLQBHNS-QFIPXVFZSA-N 0 0 503.639 6.141 50 30 biogenic KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nccs2)c1 ZINC000009124624 553213073 /nfs/dbraw/zinc/21/30/73/553213073.db2.gz IYVQHWRGNQWVKH-MZNJEOGPSA-N 0 0 504.608 5.674 50 30 KKEARN COc1cc2c(cc1OC)C1=C[C@H](c3ccc(-c4ccc(C(C)=O)cc4)o3)C3=C(CC(C)(C)CC3=O)N1CC2 ZINC000009129432 553213242 /nfs/dbraw/zinc/21/32/42/553213242.db2.gz DTWYOYDTOIFULE-XMMPIXPASA-N 0 0 523.629 6.806 50 30 KKEARN CCCOc1c(Cl)cc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCCCO5)cc1OC ZINC000009130312 553213456 /nfs/dbraw/zinc/21/34/56/553213456.db2.gz JKBKQIQCXFWTDJ-OAQYLSRUSA-N 0 0 522.041 6.302 50 30 KKEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009158082 553214936 /nfs/dbraw/zinc/21/49/36/553214936.db2.gz WQBKEGVPZLALEI-MUUNZHRXSA-N 0 0 534.619 5.501 50 30 KKEARN COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1OC ZINC000009158980 553215304 /nfs/dbraw/zinc/21/53/04/553215304.db2.gz CCQQQVYWTOHCIE-BFDJQPSGSA-N 0 0 523.549 5.074 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009185028 553217067 /nfs/dbraw/zinc/21/70/67/553217067.db2.gz HONSAICEINKHDN-MUUNZHRXSA-N 0 0 530.621 5.611 50 30 KKEARN Clc1ccccc1/C=N/OCc1nc2c3c(ncn2n1)Oc1c2ccccc2ccc1[C@H]3c1ccccc1 ZINC000009185291 553217210 /nfs/dbraw/zinc/21/72/10/553217210.db2.gz YJBDRSXBCBBGFE-RETWFDOMSA-N 0 0 517.976 6.768 50 30 KKEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186559 553217704 /nfs/dbraw/zinc/21/77/04/553217704.db2.gz BRWYLTNWHFLIOX-HSZRJFAPSA-N 0 0 520.994 6.058 50 30 KKEARN CC1(C)CC2=C(C(=O)C1)[C@](NC(=O)c1ccccc1Cl)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000009190383 553218377 /nfs/dbraw/zinc/21/83/77/553218377.db2.gz URLKKHMBRGRLPA-RUZDIDTESA-N 0 0 504.936 5.099 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000009199446 553219928 /nfs/dbraw/zinc/21/99/28/553219928.db2.gz DLTKWHOBOCRWBB-MGBGTMOVSA-N 0 0 522.689 7.989 50 30 KKEARN CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(C3CCCCCC3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009215784 553221588 /nfs/dbraw/zinc/22/15/88/553221588.db2.gz WUMRVESIMPLUKO-MHZLTWQESA-N 0 0 520.592 5.713 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232559 553223826 /nfs/dbraw/zinc/22/38/26/553223826.db2.gz ZZIWSQCEJPVQRH-HSZRJFAPSA-N 0 0 504.539 5.544 50 30 KKEARN COc1c(Cl)cc(Cl)cc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000009232658 553223873 /nfs/dbraw/zinc/22/38/73/553223873.db2.gz DJLDTOKIFCJGDC-AREMUKBSSA-N 0 0 521.444 7.459 50 30 KKEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000009242823 553226571 /nfs/dbraw/zinc/22/65/71/553226571.db2.gz NAAHMMCAAOUPMZ-UHFFFAOYSA-N 0 0 507.841 5.498 50 30 KKEARN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2 ZINC000009264236 553228822 /nfs/dbraw/zinc/22/88/22/553228822.db2.gz BWNCZNJVTNJNID-DFXYEROKSA-N 0 0 515.440 8.161 50 30 KKEARN O=C(Nc1ccccc1)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009264243 553228878 /nfs/dbraw/zinc/22/88/78/553228878.db2.gz ZMTLLOWRWUKORV-ACSYHNTCSA-N 0 0 509.993 7.539 50 30 KKEARN COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1 ZINC000009264326 553229117 /nfs/dbraw/zinc/22/91/17/553229117.db2.gz KGDAYBNAROWAKW-JCOAXYOVSA-N 0 0 511.021 7.516 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009271031 553230402 /nfs/dbraw/zinc/23/04/02/553230402.db2.gz CGXPQZSFJASLLF-DEOSSOPVSA-N 0 0 516.575 5.413 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000009272315 553231765 /nfs/dbraw/zinc/23/17/65/553231765.db2.gz ZHNYLSZQPINXHU-WVXBCFDCSA-N 0 0 522.601 5.792 50 30 KKEARN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3cccnc3)C2)cc1 ZINC000009272311 553231814 /nfs/dbraw/zinc/23/18/14/553231814.db2.gz MBCOPNVYBJMEDN-FBZWXUMRSA-N 0 0 511.625 7.004 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009280230 553233105 /nfs/dbraw/zinc/23/31/05/553233105.db2.gz JOWFCEZEDLFOLF-VWLOTQADSA-N 0 0 517.050 7.473 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009292442 553235095 /nfs/dbraw/zinc/23/50/95/553235095.db2.gz YMLUIJLESPLTOD-LJAQVGFWSA-N 0 0 522.601 6.012 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292778 553235140 /nfs/dbraw/zinc/23/51/40/553235140.db2.gz ZFKZQAFBBAFMGH-VKGTZQKMSA-N 0 0 528.605 5.371 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000009292829 553235343 /nfs/dbraw/zinc/23/53/43/553235343.db2.gz PXDNLJQCWHHTAZ-VKGTZQKMSA-N 0 0 526.589 5.147 50 30 KKEARN CCOC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)S/C(=C\c2ccc(N(CC)CC)cc2)C1=O ZINC000009296194 553235709 /nfs/dbraw/zinc/23/57/09/553235709.db2.gz OCNBIXLZLDSFAE-NKFKGCMQSA-N 0 0 506.668 5.692 50 30 KKEARN Clc1ccccc1COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000009296426 553235771 /nfs/dbraw/zinc/23/57/71/553235771.db2.gz UFROSTQNHBPUMZ-VUTHCHCSSA-N 0 0 506.054 5.531 50 30 KKEARN C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1nnc(SC/C=C/c2ccccc2)n1CC=C ZINC000009300906 553236015 /nfs/dbraw/zinc/23/60/15/553236015.db2.gz NVCBOQTVRVJOOM-JYFOCSDGSA-N 0 0 512.708 6.520 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000009301867 553236143 /nfs/dbraw/zinc/23/61/43/553236143.db2.gz VRGDQEYRBDUDDF-XMMPIXPASA-N 0 0 500.576 5.795 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cccc(OC)c1 ZINC000009307204 553236947 /nfs/dbraw/zinc/23/69/47/553236947.db2.gz VLCGMRWTGNFLRM-UHFFFAOYSA-N 0 0 516.467 5.908 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009308713 553237696 /nfs/dbraw/zinc/23/76/96/553237696.db2.gz FFLWWJSHRIQDMK-QLXKLKPCSA-N 0 0 510.615 6.273 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(O)c2)cc1 ZINC000009308769 553237704 /nfs/dbraw/zinc/23/77/04/553237704.db2.gz BZJUZTXWEWSHKQ-NDEPHWFRSA-N 0 0 506.558 5.453 50 30 KKEARN Clc1ccc(SCCOc2ccc(CN=Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000009310077 553238733 /nfs/dbraw/zinc/23/87/33/553238733.db2.gz YOMCPFXDUOFRAU-TURZUDJPSA-N 0 0 524.094 5.343 50 30 KKEARN CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N(c2ccccc2)C1=S ZINC000009311856 553239820 /nfs/dbraw/zinc/23/98/20/553239820.db2.gz KEXHJSVWJXIUHI-YZSQISJMSA-N 0 0 504.615 5.515 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009311875 553239823 /nfs/dbraw/zinc/23/98/23/553239823.db2.gz XYKMRLJUXLLMPD-LGGPFLRQSA-N 0 0 511.618 6.358 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)c1 ZINC000009313027 553240972 /nfs/dbraw/zinc/24/09/72/553240972.db2.gz AIPFDMSNWIOQEH-PBBNMVCDSA-N 0 0 511.618 6.213 50 30 KKEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000009322978 553241598 /nfs/dbraw/zinc/24/15/98/553241598.db2.gz FXVSHYFMPCUUFW-UHFFFAOYSA-N 0 0 520.654 7.058 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009329406 553242484 /nfs/dbraw/zinc/24/24/84/553242484.db2.gz HBPRYKZHZFHSIL-DNOBIOAJSA-N 0 0 524.642 6.834 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334004 553243052 /nfs/dbraw/zinc/24/30/52/553243052.db2.gz DEGPPSAZUPETCF-HSZRJFAPSA-N 0 0 518.660 6.837 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009354361 553246030 /nfs/dbraw/zinc/24/60/30/553246030.db2.gz RSBVPKHOVNRWSP-OLILMLBXSA-N 0 0 525.601 5.752 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000009354351 553246036 /nfs/dbraw/zinc/24/60/36/553246036.db2.gz RSBVPKHOVNRWSP-AFJIDDCJSA-N 0 0 525.601 5.752 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009356589 553246579 /nfs/dbraw/zinc/24/65/79/553246579.db2.gz GKIQEMGNPCDLAW-IVCQMTBJSA-N 0 0 512.587 5.725 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009357586 553246998 /nfs/dbraw/zinc/24/69/98/553246998.db2.gz NABRQUAGHFVATO-OYLFLEFRSA-N 0 0 500.551 5.850 50 30 KKEARN COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009358223 553247565 /nfs/dbraw/zinc/24/75/65/553247565.db2.gz IKYOLTCLRRDVCK-JHOBJCJYSA-N 0 0 518.569 6.281 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009359530 553247926 /nfs/dbraw/zinc/24/79/26/553247926.db2.gz XZWSMVATWMCPHE-AREMUKBSSA-N 0 0 502.567 5.055 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009359348 553247947 /nfs/dbraw/zinc/24/79/47/553247947.db2.gz VBNFHPOCQLGNLN-VWLOTQADSA-N 0 0 514.603 6.049 50 30 KKEARN COC(=O)[C@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009359290 553247955 /nfs/dbraw/zinc/24/79/55/553247955.db2.gz YNHHWQINYASXKB-KALPRAJFSA-N 0 0 513.937 5.182 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360115 553248214 /nfs/dbraw/zinc/24/82/14/553248214.db2.gz LXKXCRQYJLHYDN-LMKMVOKYSA-N 0 0 514.578 6.159 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009360595 553248426 /nfs/dbraw/zinc/24/84/26/553248426.db2.gz DHHOLAKJHAMZFD-PUAOIOHZSA-N 0 0 514.578 6.159 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370753 553250151 /nfs/dbraw/zinc/25/01/51/553250151.db2.gz BPVWMMFUXTZOQS-FQEVSTJZSA-N 0 0 513.185 5.995 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009371026 553250272 /nfs/dbraw/zinc/25/02/72/553250272.db2.gz RANZMAZVGHIMHG-XIFFEERXSA-N 0 0 522.689 7.989 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000009379657 553251369 /nfs/dbraw/zinc/25/13/69/553251369.db2.gz RHSNZRUMYUYBEK-WINIVTDRSA-N 0 0 522.523 6.167 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009380530 553251763 /nfs/dbraw/zinc/25/17/63/553251763.db2.gz JNMOKKDVXVUZBE-AREMUKBSSA-N 0 0 516.550 5.097 50 30 KKEARN O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009380609 553251923 /nfs/dbraw/zinc/25/19/23/553251923.db2.gz AZKKVMQQVUVASK-HXUWFJFHSA-N 0 0 513.185 5.995 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009380568 553251928 /nfs/dbraw/zinc/25/19/28/553251928.db2.gz AWWUWWOQTRVMIZ-MHZLTWQESA-N 0 0 516.594 5.221 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000009380735 553251931 /nfs/dbraw/zinc/25/19/31/553251931.db2.gz UGAONEQDCRZECK-URNDWHGUSA-N 0 0 536.716 8.263 50 30 KKEARN COc1cc(OC)c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1Br ZINC000009397181 553255227 /nfs/dbraw/zinc/25/52/27/553255227.db2.gz UXTAGVHTKWWVOK-PRGMTJJQSA-N 0 0 519.436 6.542 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009412477 553257586 /nfs/dbraw/zinc/25/75/86/553257586.db2.gz ZHAVJIRSPJDGBY-LFVRLGFBSA-N 0 0 518.616 5.863 50 30 KKEARN CCCC[C@H]1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000009424005 553258262 /nfs/dbraw/zinc/25/82/62/553258262.db2.gz KFKKKQBDOZDTGA-DAMKXSJNSA-N 0 0 504.450 5.491 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009424761 553258889 /nfs/dbraw/zinc/25/88/89/553258889.db2.gz WTKVLOLDAGTEJY-QHCPKHFHSA-N 0 0 518.978 5.812 50 30 KKEARN CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009427331 553259840 /nfs/dbraw/zinc/25/98/40/553259840.db2.gz DVVKRWWMIPPKHP-OOOSNSGVSA-N 0 0 513.641 6.967 50 30 KKEARN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000009428281 553260421 /nfs/dbraw/zinc/26/04/21/553260421.db2.gz ZQKNLIPCRORTGB-VXDNOLEKSA-N 0 0 516.425 6.336 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1C ZINC000009435966 553264379 /nfs/dbraw/zinc/26/43/79/553264379.db2.gz FNFZIHGSLWFHIY-WJAWXSHXSA-N 0 0 514.651 5.492 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009446225 553265529 /nfs/dbraw/zinc/26/55/29/553265529.db2.gz LEJSYYCGIBGAPM-HHHXNRCGSA-N 0 0 524.642 6.937 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000009453791 553266106 /nfs/dbraw/zinc/26/61/06/553266106.db2.gz YXILWLUQUMWMQM-LJAQVGFWSA-N 0 0 527.617 5.848 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(OC)c1 ZINC000009461354 553267542 /nfs/dbraw/zinc/26/75/42/553267542.db2.gz XELXUCRCIVUNQJ-HHHXNRCGSA-N 0 0 501.579 5.197 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009470879 553269761 /nfs/dbraw/zinc/26/97/61/553269761.db2.gz UVJMEZNUZULDEJ-IVCQMTBJSA-N 0 0 508.401 6.138 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009477523 553272441 /nfs/dbraw/zinc/27/24/41/553272441.db2.gz VDOYSUNREOGKOQ-MUUNZHRXSA-N 0 0 525.004 6.401 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009507909 553275954 /nfs/dbraw/zinc/27/59/54/553275954.db2.gz VVAAFNCAKUZREJ-HHHXNRCGSA-N 0 0 513.977 6.599 50 30 KKEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 ZINC000009554017 553278844 /nfs/dbraw/zinc/27/88/44/553278844.db2.gz MTNBBLALQPBGQW-RBISFHTESA-N 0 0 507.074 6.499 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@@H]3c2ccc(C)o2)cc1OC ZINC000009554072 553278891 /nfs/dbraw/zinc/27/88/91/553278891.db2.gz NNBHOEVKDHOCJE-WRONEBCDSA-N 0 0 505.611 5.843 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000009591047 553283192 /nfs/dbraw/zinc/28/31/92/553283192.db2.gz OAMJOPRPONIXKH-CQSZACIVSA-N 0 0 523.709 5.327 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cccc(C)c2)cc1OC ZINC000009598297 553284317 /nfs/dbraw/zinc/28/43/17/553284317.db2.gz MTVWEYWXOQBVCU-WBBHLRKXSA-N 0 0 522.645 6.321 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000009598274 553284346 /nfs/dbraw/zinc/28/43/46/553284346.db2.gz FFSXREKSPBGFPX-PRAQEBQASA-N 0 0 528.605 5.614 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000009598330 553284530 /nfs/dbraw/zinc/28/45/30/553284530.db2.gz CJPRHNWQOPZIKK-CHJDUVSTSA-N 0 0 526.608 6.152 50 30 KKEARN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12 ZINC000009601039 553286472 /nfs/dbraw/zinc/28/64/72/553286472.db2.gz GQLQRRCRASNKLL-OCKRADGESA-N 0 0 507.633 8.486 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600901 553286474 /nfs/dbraw/zinc/28/64/74/553286474.db2.gz SAQRGKHYTDGLFS-QFIPXVFZSA-N 0 0 506.967 5.837 50 30 KKEARN COc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009601769 553286995 /nfs/dbraw/zinc/28/69/95/553286995.db2.gz ADSSJJCETHAQDM-KWMCUTETSA-N 0 0 514.578 5.616 50 30 KKEARN COc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000009601770 553287029 /nfs/dbraw/zinc/28/70/29/553287029.db2.gz ADSSJJCETHAQDM-WRHNGFHOSA-N 0 0 514.578 5.616 50 30 KKEARN COc1ccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)Cc2ccccc2)cc1OC ZINC000009614299 553289815 /nfs/dbraw/zinc/28/98/15/553289815.db2.gz INNFOGYTWWKYBC-VWLOTQADSA-N 0 0 508.643 6.483 50 30 KKEARN CCOC(=O)c1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccc(F)c3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009775623 553304233 /nfs/dbraw/zinc/30/42/33/553304233.db2.gz QRDOHBOPZZOLMO-UHFFFAOYSA-N 0 0 515.625 6.893 50 30 KKEARN COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009846402 553311616 /nfs/dbraw/zinc/31/16/16/553311616.db2.gz GSRXFVXTZIRSTG-SBGXGKRISA-N 0 0 510.015 5.518 50 30 KKEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Br)cc1 ZINC000009846342 553311642 /nfs/dbraw/zinc/31/16/42/553311642.db2.gz DIUXIGJOPMVTLH-LTUQMTLXSA-N 0 0 511.239 5.192 50 30 KKEARN COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)S/C2=N\c2ccc(OC)cc2)cc1 ZINC000009846415 553311847 /nfs/dbraw/zinc/31/18/47/553311847.db2.gz GRZGVGIYCMPGIQ-PNJMJVHGSA-N 0 0 510.015 5.518 50 30 KKEARN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000009861154 553314137 /nfs/dbraw/zinc/31/41/37/553314137.db2.gz HRSULVJKKPZVCK-DEOSSOPVSA-N 0 0 509.448 5.297 50 30 KKEARN COc1ccccc1NC(=O)c1c(/N=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000009907685 553315999 /nfs/dbraw/zinc/31/59/99/553315999.db2.gz QEQVMWYOJGCGLP-WMMCOQJOSA-N 0 0 506.668 6.928 50 30 KKEARN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)c(Cl)c2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000009907661 553316006 /nfs/dbraw/zinc/31/60/06/553316006.db2.gz KQGBWKJJTRVWEE-AASYHSMQSA-N 0 0 511.087 7.573 50 30 KKEARN COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942563 553319736 /nfs/dbraw/zinc/31/97/36/553319736.db2.gz DRQHCZXZWIHVKH-HSZRJFAPSA-N 0 0 501.652 5.888 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982738 553323433 /nfs/dbraw/zinc/32/34/33/553323433.db2.gz ZKPAKYQCHFQRQW-SIBVEZHUSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009982744 553323436 /nfs/dbraw/zinc/32/34/36/553323436.db2.gz ZKPAKYQCHFQRQW-AFMDSPMNSA-N 0 0 518.679 6.918 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009982802 553323447 /nfs/dbraw/zinc/32/34/47/553323447.db2.gz AYEVZBSKBOIINL-CLOONOSVSA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009984003 553323603 /nfs/dbraw/zinc/32/36/03/553323603.db2.gz DJEOUOJQARWCCR-CLOONOSVSA-N 0 0 501.677 6.174 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009985162 553323625 /nfs/dbraw/zinc/32/36/25/553323625.db2.gz SFSASJUSQJUBDK-RXFWQSSRSA-N 0 0 515.704 6.482 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@@H](O)C[S@@](=O)Cc3ccccc3)n2)cc1 ZINC000009993198 553323740 /nfs/dbraw/zinc/32/37/40/553323740.db2.gz NVPDBDHQZUROSD-GPJMPKJXSA-N 0 0 514.672 5.698 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SC[C@H](O)C[S@@](=O)Cc3ccccc3)n2)cc1 ZINC000009993196 553323767 /nfs/dbraw/zinc/32/37/67/553323767.db2.gz NVPDBDHQZUROSD-XAIPSOGISA-N 0 0 514.672 5.698 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCS(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000009993090 553323780 /nfs/dbraw/zinc/32/37/80/553323780.db2.gz IWXIAYKXZBJAFZ-UHFFFAOYSA-N 0 0 500.645 6.003 50 30 KKEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000009993699 553324032 /nfs/dbraw/zinc/32/40/32/553324032.db2.gz PYSUQUNUHDEDOH-GDLZYMKVSA-N 0 0 520.585 6.360 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC ZINC000010013630 553326175 /nfs/dbraw/zinc/32/61/75/553326175.db2.gz ACQJMEUNXXSJCC-WTYVLRPYSA-N 0 0 512.581 5.843 50 30 KKEARN CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OCC)c1OCC ZINC000010039371 553326445 /nfs/dbraw/zinc/32/64/45/553326445.db2.gz VWTRDDPISLLWKP-KRWDZBQOSA-N 0 0 529.728 6.094 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000010748019 553338228 /nfs/dbraw/zinc/33/82/28/553338228.db2.gz ZOLHNHXFXXUJNG-UHFFFAOYSA-N 0 0 509.609 5.180 50 30 KKEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000011852151 553344141 /nfs/dbraw/zinc/34/41/41/553344141.db2.gz VMYNZLDYWATGOW-UHFFFAOYSA-N 0 0 539.451 5.295 50 30 KKEARN Cc1c(NC(=S)Nc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000011852724 553345574 /nfs/dbraw/zinc/34/55/74/553345574.db2.gz KXUYBZIWIDNAMI-UHFFFAOYSA-N 0 0 538.514 6.176 50 30 KKEARN Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O ZINC000011868961 553348226 /nfs/dbraw/zinc/34/82/26/553348226.db2.gz KLFOBCAWXFXBAE-MWLSYYOVSA-N 0 0 502.522 7.156 50 30 biogenic KKEARN COc1cc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Br)C3=O)cc(OC)c1OC ZINC000011869567 553348264 /nfs/dbraw/zinc/34/82/64/553348264.db2.gz WPEIUNXLDWNNDD-JMIUGGIZSA-N 0 0 511.324 5.310 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3c(Cl)cccc3Cl)C4=O)c2c1 ZINC000011868809 553348291 /nfs/dbraw/zinc/34/82/91/553348291.db2.gz LUWPUCTUIFOHCG-YUMHPJSZSA-N 0 0 557.385 8.251 50 30 KKEARN COC(=O)c1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C\c2cccs2)cc1 ZINC000012062433 553350726 /nfs/dbraw/zinc/35/07/26/553350726.db2.gz MEXUWXJKDFAHPH-XMHGGMMESA-N 0 0 500.670 7.309 50 30 KKEARN C=CCN(CC=C)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2nc(-c4ccccc4)cs2)C3=O)C1 ZINC000012148948 553352468 /nfs/dbraw/zinc/35/24/68/553352468.db2.gz SEJFPNUTJBBBTA-QFIPXVFZSA-N 0 0 526.662 5.023 50 30 KKEARN CC1(C)CC(=O)C(C(=O)CCCN2C(=O)c3ccccc3C2=O)=C(Nc2ccc(Br)cc2)C1 ZINC000012402102 553362524 /nfs/dbraw/zinc/36/25/24/553362524.db2.gz NGYAZNUSMJKRLQ-UHFFFAOYSA-N 0 0 509.400 5.150 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCCC3)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000012402387 553362817 /nfs/dbraw/zinc/36/28/17/553362817.db2.gz RNHSFQCDJFRCPQ-FQEVSTJZSA-N 0 0 503.624 6.351 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000012411760 553363763 /nfs/dbraw/zinc/36/37/63/553363763.db2.gz HJLYAAVAPLNEFT-XHCCPWGMSA-N 0 0 502.611 6.286 50 30 KKEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000012416325 553364844 /nfs/dbraw/zinc/36/48/44/553364844.db2.gz FVQNLOMMHFJLMS-MRDQGFSESA-N 0 0 502.567 5.616 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1O ZINC000012416287 553364862 /nfs/dbraw/zinc/36/48/62/553364862.db2.gz MCZIIRXCDILBES-QUGAMOGWSA-N 0 0 521.038 6.116 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(C)cc3C)S/C2=N\c2ccccc2)cc1OC ZINC000012447082 553366601 /nfs/dbraw/zinc/36/66/01/553366601.db2.gz NEJVITFROQHFPU-FYUFQVDVSA-N 0 0 517.651 5.524 50 30 KKEARN CCc1ccccc1/N=C1/S/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)C(=O)N1C ZINC000012466740 553367431 /nfs/dbraw/zinc/36/74/31/553367431.db2.gz HHBHTEFXGWHIIQ-YDPKYKODSA-N 0 0 502.592 5.799 50 30 KKEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3CC)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000012464334 553367457 /nfs/dbraw/zinc/36/74/57/553367457.db2.gz QXDGUBBGAMHSDT-JDLIOFPUSA-N 0 0 516.619 6.189 50 30 KKEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000012468529 553367995 /nfs/dbraw/zinc/36/79/95/553367995.db2.gz XVSIGDDYXKRLSQ-IOYDYCAWSA-N 0 0 521.570 5.114 50 30 KKEARN COc1ccc(CN(C(=O)c2ccc(C#N)cc2)C2(C(=O)Nc3ccc(F)cc3)CCCC2)cc1OC ZINC000012542523 553390573 /nfs/dbraw/zinc/39/05/73/553390573.db2.gz VZGAVYYCOFZIDM-UHFFFAOYSA-N 0 0 501.558 5.308 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@@](=Nc1ccccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1F)=N2 ZINC000012560265 553394288 /nfs/dbraw/zinc/39/42/88/553394288.db2.gz ALCGWCBWKOJWCB-BHVANESWSA-N 0 0 525.956 5.242 50 30 KKEARN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)NC(C)(C)c2cccc(C(=C)C)c2)c1 ZINC000012562965 553395131 /nfs/dbraw/zinc/39/51/31/553395131.db2.gz VYKTWBLNTQIMDS-VSGBNLITSA-N 0 0 516.730 6.833 50 30 KKEARN CCOC(=O)c1sc2c(c1C)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C1=C(CCCC1=O)N2 ZINC000012589608 553399998 /nfs/dbraw/zinc/39/99/98/553399998.db2.gz YMSNBSAQVOTGDV-VWLOTQADSA-N 0 0 509.631 6.650 50 30 KKEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Br)cc1 ZINC000012632170 553405636 /nfs/dbraw/zinc/40/56/36/553405636.db2.gz WMCATRSJMCFXIO-JJXNMMKVSA-N 0 0 511.239 5.192 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)Cc1cccs1 ZINC000012652413 553410047 /nfs/dbraw/zinc/41/00/47/553410047.db2.gz DBOUWILPLQGQAT-WWOZWPLTSA-N 0 0 510.615 6.493 50 30 KKEARN COc1cc(Br)cc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012661689 553412431 /nfs/dbraw/zinc/41/24/31/553412431.db2.gz TVDJZFBATLLPAM-KUZBATBISA-N 0 0 518.536 6.746 50 30 biogenic KKEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCCc1ccc(O)cc1 ZINC000012880698 553425422 /nfs/dbraw/zinc/42/54/22/553425422.db2.gz HYPGZTAORBPAHX-AXOMYGEFSA-N 0 0 507.671 5.275 50 30 biogenic KKEARN COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1/C=N/OCc1ccc(Cl)cc1Cl ZINC000012950877 553428371 /nfs/dbraw/zinc/42/83/71/553428371.db2.gz UYFAQMYGJINJIJ-IPPBACCNSA-N 0 0 546.863 7.321 50 30 KKEARN Cc1ccc(/C=C/c2cc(/C=C\c3ccc(C)cc3)c(C#N)c(SCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000012954307 553429176 /nfs/dbraw/zinc/42/91/76/553429176.db2.gz RGJDKYZWAHKPOH-KMUHKHSISA-N 0 0 527.520 9.510 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3ccccc3)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000012955079 553429361 /nfs/dbraw/zinc/42/93/61/553429361.db2.gz WLGMDASLRAXOKT-GUBAARJWSA-N 0 0 575.133 9.399 50 30 KKEARN Cc1ccc(SC2=C(/C=N/OC(=O)c3cccc(C)c3)CCc3c2cc(-c2ccccc2)n3-c2ccc(Cl)cc2)cc1 ZINC000012955074 553429363 /nfs/dbraw/zinc/42/93/63/553429363.db2.gz BRZPAAFRRLQJAU-FNTLCPBMSA-N 0 0 589.160 9.707 50 30 KKEARN Cc1ccc(Cn2cc(/C=N/OCc3ccc(Cl)cc3Cl)c(O)c(Cc3ccc(F)cc3)c2=O)cc1 ZINC000012954830 553429387 /nfs/dbraw/zinc/42/93/87/553429387.db2.gz CUAMGGFYWUQDNA-HIWRWHBISA-N 0 0 525.407 6.498 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)N(/C=N/OCc1c(Cl)cccc1Cl)OCc1c(Cl)cccc1Cl ZINC000012956110 553429507 /nfs/dbraw/zinc/42/95/07/553429507.db2.gz YYBRZVZQGIXHDG-XODNFHPESA-N 0 0 547.653 8.079 50 30 KKEARN O=C(N/C=N\OCc1ccc(Cl)cc1Cl)Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000012957114 553429902 /nfs/dbraw/zinc/42/99/02/553429902.db2.gz LGSTYIMFPISJNG-UHFFFAOYSA-N 0 0 533.721 7.135 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)=C1Nc2ccccc2N1 ZINC000013114433 553448762 /nfs/dbraw/zinc/44/87/62/553448762.db2.gz TUFCYKASFUDREZ-UHFFFAOYSA-N 0 0 509.657 5.019 50 30 KKEARN Cc1nc2cc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3cccc(C)c3)ccc2s1 ZINC000013286111 553457609 /nfs/dbraw/zinc/45/76/09/553457609.db2.gz GRLDEESSNBGESU-CNPBBGJZSA-N 0 0 500.674 7.092 50 30 KKEARN Cc1nc2ccc(/N=C3\S/C(=C4\Sc5ccccc5N4C)C(=O)N3c3cccc(C)c3)cc2s1 ZINC000013286112 553457822 /nfs/dbraw/zinc/45/78/22/553457822.db2.gz GTMIVGWGQFZMDC-CNPBBGJZSA-N 0 0 500.674 7.092 50 30 KKEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccc3ccccc3c2)c1 ZINC000013286129 553457823 /nfs/dbraw/zinc/45/78/23/553457823.db2.gz GDUDSMJXPBIVOO-HGHKWBERSA-N 0 0 514.075 7.980 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2ccc(C)s2)cc1OC ZINC000013303836 553458138 /nfs/dbraw/zinc/45/81/38/553458138.db2.gz BDHVEPWHTQRKKY-JRPXNJEYSA-N 0 0 528.674 6.382 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)c1 ZINC000013549535 553470183 /nfs/dbraw/zinc/47/01/83/553470183.db2.gz VWMAPWYAQCYEQC-DEOSSOPVSA-N 0 0 500.576 5.713 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)c1 ZINC000013553011 553470849 /nfs/dbraw/zinc/47/08/49/553470849.db2.gz YUWQSIFLCDEXMZ-RUZDIDTESA-N 0 0 514.603 6.183 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013570837 553473865 /nfs/dbraw/zinc/47/38/65/553473865.db2.gz GPQKBGHVUVIGRS-RUZDIDTESA-N 0 0 514.603 6.049 50 30 KKEARN CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)C[C@@H](C)CC5)cc2)cc1 ZINC000013573926 553474463 /nfs/dbraw/zinc/47/44/63/553474463.db2.gz IWPINRFPDXAZDC-QEXPOGAPSA-N 0 0 509.675 7.275 50 30 KKEARN N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccc3ccccc32)cc1-c1ccccc1F ZINC000013574083 553474525 /nfs/dbraw/zinc/47/45/25/553474525.db2.gz BOYBHCWSLUKHFL-UHFFFAOYSA-N 0 0 505.530 7.451 50 30 KKEARN O=C(C=Cc1cccs1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013575007 553474707 /nfs/dbraw/zinc/47/47/07/553474707.db2.gz MGLPVMNITPCZKJ-WUKNDPDISA-N 0 0 523.610 6.456 50 30 KKEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Br)cc4c2OCOC4)O3)C1 ZINC000013655245 553480489 /nfs/dbraw/zinc/48/04/89/553480489.db2.gz NQXLLNZNYIGUAA-GNSIWFOTSA-N 0 0 500.389 5.115 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)cc1 ZINC000013759064 553488500 /nfs/dbraw/zinc/48/85/00/553488500.db2.gz VLNVNGQHTGREGZ-QYZUTXGSSA-N 0 0 523.593 5.241 50 30 KKEARN COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013759238 553488568 /nfs/dbraw/zinc/48/85/68/553488568.db2.gz IWLZYVMXMDAYFU-QNHVATRXSA-N 0 0 534.619 5.355 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1C ZINC000013785977 553490661 /nfs/dbraw/zinc/49/06/61/553490661.db2.gz NAUZDEHQOYHLJH-ITYLOYPMSA-N 0 0 517.614 5.092 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000013801322 553491409 /nfs/dbraw/zinc/49/14/09/553491409.db2.gz FSHREYLAAUFCBT-VHEBRAQUSA-N 0 0 500.624 5.184 50 30 KKEARN CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000013809834 553492074 /nfs/dbraw/zinc/49/20/74/553492074.db2.gz LWLNEGSFMBPVIO-YQBCOLPVSA-N 0 0 506.587 5.840 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1C ZINC000013810032 553492131 /nfs/dbraw/zinc/49/21/31/553492131.db2.gz FNFZIHGSLWFHIY-SUANTXEESA-N 0 0 514.651 5.492 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000013882122 553494176 /nfs/dbraw/zinc/49/41/76/553494176.db2.gz YEFQGGDTEOUHGY-GTYOFVGBSA-N 0 0 509.606 7.076 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C3CCCCC3)cc2)SC1=S ZINC000013899351 553495248 /nfs/dbraw/zinc/49/52/48/553495248.db2.gz PKQKYTSLGRKQDL-BWAHOGKJSA-N 0 0 514.112 7.233 50 30 KKEARN C#CCOc1cc(Br)c(/C=C2/S/C(=N/c3cccc4ccccc43)NC2=O)cc1OCC ZINC000013915169 553495588 /nfs/dbraw/zinc/49/55/88/553495588.db2.gz QCLVMBBOLFUBPD-OEAKJJBVSA-N 0 0 507.409 5.905 50 30 KKEARN COc1ccc(Nc2nc(N=NC=CCc3ccc(N(C)C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1 ZINC000013940522 553496291 /nfs/dbraw/zinc/49/62/91/553496291.db2.gz MEKOWZHVVJVNAC-ZIRWHOLMSA-N 0 0 510.602 5.553 50 30 KKEARN COc1cc(-c2cc(/C=C/c3ccc(SC)cc3)c(C#N)c3nc4ccccc4n32)cc(OC)c1OC ZINC000014361460 553514622 /nfs/dbraw/zinc/51/46/22/553514622.db2.gz JQPJTHZGCPAYHV-FMIVXFBMSA-N 0 0 507.615 6.944 50 30 KKEARN CCCN1C/C(=C\c2c3ccccc3cc3ccccc32)C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C1 ZINC000014920845 553521240 /nfs/dbraw/zinc/52/12/40/553521240.db2.gz CDFDORIEIAXVKE-WECXDZCISA-N 0 0 517.672 9.061 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@@H]2c1ccccc1OC ZINC000014944944 553521970 /nfs/dbraw/zinc/52/19/70/553521970.db2.gz SNZRSYCQYKRFIZ-KFDHSVMUSA-N 0 0 519.594 5.606 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)ccc1O ZINC000015134995 553528257 /nfs/dbraw/zinc/52/82/57/553528257.db2.gz NJBLNVJVIPCFNP-VULFUBBASA-N 0 0 500.519 5.044 50 30 KKEARN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(C)c3C)c3ccccc32)cc1 ZINC000015188160 553528460 /nfs/dbraw/zinc/52/84/60/553528460.db2.gz RZRBGEGSAUNCPA-TXAGPFMXSA-N 0 0 512.609 6.265 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CCC)SC3=NC2=O)cc1OC ZINC000015276348 553530247 /nfs/dbraw/zinc/53/02/47/553530247.db2.gz HWGKBNATUKGNPH-MDHMIDBASA-N 0 0 504.612 5.301 50 30 KKEARN CCc1cc(/C=N/N=C/c2cc(CC)sc2SCc2ccccc2)c(SCc2ccccc2)s1 ZINC000015635850 553533884 /nfs/dbraw/zinc/53/38/84/553533884.db2.gz ZUPCJJDRDOGUGD-YAGSLNJISA-N 0 0 520.814 8.972 50 30 KKEARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(N=Nc1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000015722566 553534901 /nfs/dbraw/zinc/53/49/01/553534901.db2.gz MMKPBHYDMMSDLH-AKAIIQJUSA-N 0 0 508.855 6.032 50 30 KKEARN S=C1N(c2ccccc2Cl)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H](N2CCOCC2)C12CCCCC2 ZINC000015861794 553537873 /nfs/dbraw/zinc/53/78/73/553537873.db2.gz KWSBABLLSXHIIJ-MGPWZXIBSA-N 0 0 512.163 6.506 50 30 KKEARN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCOCC1 ZINC000015861700 553537902 /nfs/dbraw/zinc/53/79/02/553537902.db2.gz JEQHNZYICXDGKT-GGYXDGTHSA-N 0 0 505.650 5.947 50 30 KKEARN CCCCCCN(CCCCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000015905856 553540068 /nfs/dbraw/zinc/54/00/68/553540068.db2.gz PPKZNHUWGMCYFC-JOCHJYFZSA-N 0 0 504.538 7.211 50 30 KKEARN CCCCCCN(CCCCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1 ZINC000015905857 553540141 /nfs/dbraw/zinc/54/01/41/553540141.db2.gz PPKZNHUWGMCYFC-QFIPXVFZSA-N 0 0 504.538 7.211 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1C1CCCCC1 ZINC000015911438 553541191 /nfs/dbraw/zinc/54/11/91/553541191.db2.gz OECHEKPNJREBBO-UHFFFAOYSA-N 0 0 509.598 5.098 50 30 KKEARN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)c1OC ZINC000015945598 553544051 /nfs/dbraw/zinc/54/40/51/553544051.db2.gz NKIMSHWJXWNMKX-PCHPKZPRSA-N 0 0 511.087 7.573 50 30 KKEARN CCc1ccccc1NC(=O)c1c2c(sc1/N=C/c1cc(OC)c(OC)cc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000015946492 553544722 /nfs/dbraw/zinc/54/47/22/553544722.db2.gz CLCZZFUBPFUKFD-ZPOUEADKSA-N 0 0 534.722 7.490 50 30 KKEARN CCOC(=O)c1nn(-c2ccccc2)c2c1[C@](c1ccccc1)(C(F)(F)F)N=C(Nc1ccccc1)O2 ZINC000015981525 553548901 /nfs/dbraw/zinc/54/89/01/553548901.db2.gz AFULHWSYDNVFFD-AREMUKBSSA-N 0 0 506.484 5.525 50 30 KKEARN CC(C)Oc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000016034497 553551733 /nfs/dbraw/zinc/55/17/33/553551733.db2.gz FEBMZPZUJDRZHV-XXQSZQHVSA-N 0 0 517.673 6.661 50 30 KKEARN CC(C)Oc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000016034495 553551768 /nfs/dbraw/zinc/55/17/68/553551768.db2.gz FEBMZPZUJDRZHV-QOLDTNHLSA-N 0 0 517.673 6.661 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1ccc(CCCCCC)cc1 ZINC000016508395 553567010 /nfs/dbraw/zinc/56/70/10/553567010.db2.gz WJYXGEDORMIPOU-HKBQPEDESA-N 0 0 530.734 6.682 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1cccc(C)c1 ZINC000016532868 553567562 /nfs/dbraw/zinc/56/75/62/553567562.db2.gz SMJAVQGZVGOXSI-UHFFFAOYSA-N 0 0 513.569 5.489 50 30 KKEARN CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000016572384 553568155 /nfs/dbraw/zinc/56/81/55/553568155.db2.gz DXWPSWCQZGQRGD-FZKQIMNGSA-N 0 0 513.421 5.014 50 30 KKEARN COc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)c(OC)c1 ZINC000016662213 553571376 /nfs/dbraw/zinc/57/13/76/553571376.db2.gz CKGFDAIYACRQEQ-QRQIAZFYSA-N 0 0 503.400 6.061 50 30 KKEARN CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000016728942 553575383 /nfs/dbraw/zinc/57/53/83/553575383.db2.gz DRPPGLZEXNZPEC-UHFFFAOYSA-N 0 0 503.521 6.688 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2)cc1 ZINC000016729532 553575976 /nfs/dbraw/zinc/57/59/76/553575976.db2.gz WDWSMSSKPVYKCP-OAQYLSRUSA-N 0 0 506.580 5.200 50 30 KKEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000016729903 553576117 /nfs/dbraw/zinc/57/61/17/553576117.db2.gz UCDSTHJBBOJQSA-YWEHKCAJSA-N 0 0 537.653 5.666 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000016729963 553576131 /nfs/dbraw/zinc/57/61/31/553576131.db2.gz YRHDKANVVZVZMN-RBJSKKJNSA-N 0 0 537.653 5.810 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016730012 553576325 /nfs/dbraw/zinc/57/63/25/553576325.db2.gz PYNZZLSCOXQBFR-XCZPVHLTSA-N 0 0 521.654 6.192 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000016733396 553578060 /nfs/dbraw/zinc/57/80/60/553578060.db2.gz IAYUPRIRFFLILK-RUZDIDTESA-N 0 0 500.035 6.256 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016733805 553578341 /nfs/dbraw/zinc/57/83/41/553578341.db2.gz USSCFEJSNJWHKK-GGAORHGYSA-N 0 0 514.416 5.385 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734410 553578544 /nfs/dbraw/zinc/57/85/44/553578544.db2.gz PQVLWHFMCABBEN-NDEPHWFRSA-N 0 0 507.542 6.415 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016737056 553579084 /nfs/dbraw/zinc/57/90/84/553579084.db2.gz ZQLBQJKNOWZSMY-GDLZYMKVSA-N 0 0 520.585 5.756 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OCCC)c2)cc1 ZINC000016737253 553579236 /nfs/dbraw/zinc/57/92/36/553579236.db2.gz HDUGSZDHCKNATO-MHZLTWQESA-N 0 0 500.595 5.828 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000016741410 553579757 /nfs/dbraw/zinc/57/97/57/553579757.db2.gz RSOUSGPYFCGRLH-HHHXNRCGSA-N 0 0 516.594 5.446 50 30 KKEARN COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1COc1ccc(F)cc1 ZINC000016946046 553584486 /nfs/dbraw/zinc/58/44/86/553584486.db2.gz CWVZIDPAWPDPDX-PMERELPUSA-N 0 0 514.597 6.576 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000016959800 553585658 /nfs/dbraw/zinc/58/56/58/553585658.db2.gz BNMVRVLRDWJNJR-OAQYLSRUSA-N 0 0 510.015 5.297 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccccc3F)cc2)c1 ZINC000017044464 553587412 /nfs/dbraw/zinc/58/74/12/553587412.db2.gz XQNOMSGVPWSLMQ-NDEPHWFRSA-N 0 0 525.580 5.578 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)N2c3ccccc3Sc3ccccc32)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000017160059 553589298 /nfs/dbraw/zinc/58/92/98/553589298.db2.gz SQOLEEWNZSMGAF-UHFFFAOYSA-N 0 0 511.567 6.305 50 30 KKEARN COc1ccc(/N=C(Nc2ccc(OC)cc2)/C(=N/c2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1 ZINC000017154909 553589341 /nfs/dbraw/zinc/58/93/41/553589341.db2.gz ARXYQPDWSPCPBP-UHFFFAOYSA-N 0 0 510.594 6.705 50 30 KKEARN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 ZINC000017167121 553589913 /nfs/dbraw/zinc/58/99/13/553589913.db2.gz BZVJZHNFYVEXLJ-FZPRHHONSA-N 0 0 508.565 7.586 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c1[C@H]2c1cccc(F)c1 ZINC000017242314 553590893 /nfs/dbraw/zinc/59/08/93/553590893.db2.gz FKKARROXABPYDX-FQEVSTJZSA-N 0 0 506.559 5.722 50 30 KKEARN COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242354 553590948 /nfs/dbraw/zinc/59/09/48/553590948.db2.gz ADUKHUWESFQKCV-JOCHJYFZSA-N 0 0 503.624 5.280 50 30 KKEARN COc1ccc(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068576231 553591150 /nfs/dbraw/zinc/59/11/50/553591150.db2.gz GJXLGRVQUNDZER-MWLCHTKSSA-N 0 0 601.209 6.506 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc(-c5ccccc5)cc4)nn3[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000020133640 553592244 /nfs/dbraw/zinc/59/22/44/553592244.db2.gz BYBVIELBHZLVDE-AREMUKBSSA-N 0 0 509.591 6.168 50 30 KKEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020134424 553592851 /nfs/dbraw/zinc/59/28/51/553592851.db2.gz BVEAKYIZTUEBJK-DEOSSOPVSA-N 0 0 531.678 5.897 50 30 KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)CC5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664574 553594666 /nfs/dbraw/zinc/59/46/66/553594666.db2.gz FAIXXHWUFODNRO-AWTZXSBLSA-N 0 0 526.915 10.915 50 30 biogenic KKEARN CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C56CC7CC(CC(C7)C5)C6)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070664723 553594992 /nfs/dbraw/zinc/59/49/92/553594992.db2.gz YNHQSVAFFONAPB-SINWPCHVSA-N 0 0 548.896 10.444 50 30 biogenic KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070669837 553599232 /nfs/dbraw/zinc/59/92/32/553599232.db2.gz CDQMFMRWVGTBOW-GPJOBYINSA-N 0 0 586.857 9.088 50 30 biogenic KKEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070670063 553600037 /nfs/dbraw/zinc/60/00/37/553600037.db2.gz YKZBFGQDLNMSMA-NGFCAHKMSA-N 0 0 585.745 5.068 50 30 biogenic KKEARN CCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC(=O)Cc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070670124 553600211 /nfs/dbraw/zinc/60/02/11/553600211.db2.gz FFEGNNNGNHNNQF-OMFWWRFSSA-N 0 0 647.806 5.500 50 30 biogenic KKEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2cc(C)ccc2C)SC1=S ZINC000020158087 553600213 /nfs/dbraw/zinc/60/02/13/553600213.db2.gz QGCAQAZMSOMPQC-STZFKDTASA-N 0 0 504.471 5.911 50 30 KKEARN C/C(=N\N=C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000020157541 553600311 /nfs/dbraw/zinc/60/03/11/553600311.db2.gz PQRVPMSPPRPNLT-AABVJFSESA-N 0 0 509.425 6.720 50 30 KKEARN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCC[C@@]5(c6ccccc6)CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070672000 553601383 /nfs/dbraw/zinc/60/13/83/553601383.db2.gz LGDIDFRWJWLEEK-YIBQHUHQSA-N 0 0 600.844 6.719 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000020169167 553601807 /nfs/dbraw/zinc/60/18/07/553601807.db2.gz ZSXSLHQJTCCXHM-SBUREZEXSA-N 0 0 505.558 5.708 50 30 KKEARN CN(C)c1ccc(/C=N/c2ccc(NC(=O)c3cccc(/N=C\c4ccc(N(C)C)cc4)c3)c(Cl)c2)cc1 ZINC000018058174 553602396 /nfs/dbraw/zinc/60/23/96/553602396.db2.gz LYGLGTPBZVDGSL-LKCHOXKRSA-N 0 0 524.068 7.226 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)N2c3ccccc3Sc3ccccc32)Nc2ccc(Cl)cc2)n1 ZINC000018097303 553604044 /nfs/dbraw/zinc/60/40/44/553604044.db2.gz CXOAGINAQALNFU-UHFFFAOYSA-N 0 0 501.015 7.050 50 30 KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070680353 553604328 /nfs/dbraw/zinc/60/43/28/553604328.db2.gz WGMBIIYEDHIMTH-UOOPZUFFSA-N 0 0 601.828 8.988 50 30 biogenic KKEARN Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4Cl)cc3)cc2)c(Cl)c1 ZINC000018107649 553604391 /nfs/dbraw/zinc/60/43/91/553604391.db2.gz OEMOMICZCMIBCK-CBLSGYJOSA-N 0 0 512.267 9.392 50 30 KKEARN COc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cc(OC)ccc3OC)C4=O)c2c1 ZINC000070680894 553604684 /nfs/dbraw/zinc/60/46/84/553604684.db2.gz IHCJRRWQVIGZBY-MWLSYYOVSA-N 0 0 548.547 6.961 50 30 biogenic KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl ZINC000018115296 553604715 /nfs/dbraw/zinc/60/47/15/553604715.db2.gz POLJJJIQMJYCTQ-UKPGIYTDSA-N 0 0 517.044 7.960 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000018115666 553604779 /nfs/dbraw/zinc/60/47/79/553604779.db2.gz DXBSAVMCHPDYLQ-PRAQEBQASA-N 0 0 517.025 6.668 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccccc1CC)cn2CC ZINC000020183388 553604902 /nfs/dbraw/zinc/60/49/02/553604902.db2.gz DNJJHYOYFPCAGK-OVVQPSECSA-N 0 0 513.733 5.355 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N\NC(=S)Nc1ccc(C(C)C)cc1)cn2CC ZINC000020183390 553604944 /nfs/dbraw/zinc/60/49/44/553604944.db2.gz RTLDQLRUQYGHKU-VEILYXNESA-N 0 0 527.760 5.916 50 30 KKEARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1cc(C)ccc1C)cn2CC ZINC000020183380 553604947 /nfs/dbraw/zinc/60/49/47/553604947.db2.gz FWWKFHAEFGQIKS-WPWMEQJKSA-N 0 0 513.733 5.409 50 30 KKEARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)c2C)cc1 ZINC000018173232 553607202 /nfs/dbraw/zinc/60/72/02/553607202.db2.gz KJCLEZXCNLPGIN-ZOFQVTLASA-N 0 0 527.690 7.208 50 30 KKEARN COc1ccc([C@@H]2c3c(N)c(C(=O)Nc4cc(C)cc(C)c4)sc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000018180021 553607483 /nfs/dbraw/zinc/60/74/83/553607483.db2.gz ZWLYGAADEGAWRP-QHCPKHFHSA-N 0 0 531.678 6.417 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1ccc(C)cc1 ZINC000018180905 553607714 /nfs/dbraw/zinc/60/77/14/553607714.db2.gz KNYOBDIQBQFVLJ-JCOAXYOVSA-N 0 0 526.633 6.331 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000018181753 553608141 /nfs/dbraw/zinc/60/81/41/553608141.db2.gz QUPFWULGAMVKLA-HHHXNRCGSA-N 0 0 520.551 6.971 50 30 KKEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000018198267 553609405 /nfs/dbraw/zinc/60/94/05/553609405.db2.gz MRVUTCIFDUMCAF-IPQOISQHSA-N 0 0 501.370 5.026 50 30 KKEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)cc3Cl)C2)cc(OC)c1OC ZINC000018198266 553609489 /nfs/dbraw/zinc/60/94/89/553609489.db2.gz MRVUTCIFDUMCAF-YTEVENLXSA-N 0 0 501.370 5.026 50 30 KKEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nc(SCc4ccccn4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000018199788 553610032 /nfs/dbraw/zinc/61/00/32/553610032.db2.gz QIMSLYANXWKXJG-HJPURHCSSA-N 0 0 506.056 6.096 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070692380 553611430 /nfs/dbraw/zinc/61/14/30/553611430.db2.gz XVECFOKIKQREAO-CIRLIIRMSA-N 0 0 522.839 10.617 50 30 biogenic KKEARN COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(F)cc3)C2)c1 ZINC000018250729 553611508 /nfs/dbraw/zinc/61/15/08/553611508.db2.gz LWWZDGPEXWLRMU-DWXRJYCRSA-N 0 0 510.487 6.297 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cc(Br)c1O ZINC000019201983 553612783 /nfs/dbraw/zinc/61/27/83/553612783.db2.gz ZVQQIDDRYJSCMJ-QGZVFWFLSA-N 0 0 513.226 5.084 50 30 KKEARN Clc1ccc(/C(=N/N=C/c2c3ccccc3cc3ccccc32)C23CN4CN(CN(C4)C2)C3)cc1Cl ZINC000019318974 553613146 /nfs/dbraw/zinc/61/31/46/553613146.db2.gz RBZVVLMSTYBLQT-YVSIINIQSA-N 0 0 514.460 5.929 50 30 KKEARN CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)OCCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697996 553613547 /nfs/dbraw/zinc/61/35/47/553613547.db2.gz VLMAOZSPUIFNLW-IQKAZFNHSA-N 0 0 530.903 11.135 50 30 biogenic KKEARN CCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CCCCC)C[C@@]21C ZINC000070697899 553613591 /nfs/dbraw/zinc/61/35/91/553613591.db2.gz ZSKDUHROILWCQC-DFLVRUFGSA-N 0 0 588.757 6.158 50 30 biogenic KKEARN c1ccc(/C(=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(-c3ccccc3)cc2)cc1 ZINC000019626198 553614966 /nfs/dbraw/zinc/61/49/66/553614966.db2.gz OBPKXELLOWELIG-MHAUTQJVSA-N 0 0 507.681 7.513 50 30 KKEARN COc1cc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000019770359 553616078 /nfs/dbraw/zinc/61/60/78/553616078.db2.gz LOZMCCCAIVYRCU-BTYSJIOQSA-N 0 0 531.649 5.600 50 30 biogenic KKEARN COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC ZINC000019760632 553616127 /nfs/dbraw/zinc/61/61/27/553616127.db2.gz JWOQJTNGEITARA-AYWVHJORSA-N 0 0 523.629 5.851 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000019804567 553617760 /nfs/dbraw/zinc/61/77/60/553617760.db2.gz QVQBOPOZDSOUNA-XMMPIXPASA-N 0 0 516.937 5.569 50 30 KKEARN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000019830999 553622660 /nfs/dbraw/zinc/62/26/60/553622660.db2.gz VOYVJNQRROOKCG-UHFFFAOYSA-N 0 0 520.069 6.901 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000019848829 553623877 /nfs/dbraw/zinc/62/38/77/553623877.db2.gz FPSQQUCTWFLFIC-DFBJGRDBSA-N 0 0 511.665 5.331 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000019848830 553623881 /nfs/dbraw/zinc/62/38/81/553623881.db2.gz FPSQQUCTWFLFIC-KBMIEXCESA-N 0 0 511.665 5.331 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)C2=C(C[C@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000019857793 553628726 /nfs/dbraw/zinc/62/87/26/553628726.db2.gz WOPKTOAFEOZQMS-CTUHWIOQSA-N 0 0 507.652 5.551 50 30 KKEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000019881772 553629519 /nfs/dbraw/zinc/62/95/19/553629519.db2.gz ARDRAZJSULHJRI-ONOMSOESSA-N 0 0 535.637 5.042 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1 ZINC000019892267 553630545 /nfs/dbraw/zinc/63/05/45/553630545.db2.gz ZQXNOIAHHQONPH-DCFHFQCYSA-N 0 0 525.642 5.501 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OC)c1OC ZINC000019892342 553630611 /nfs/dbraw/zinc/63/06/11/553630611.db2.gz IEPHVMGAFSULLF-HPORLSDASA-N 0 0 535.637 5.424 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000019892344 553630614 /nfs/dbraw/zinc/63/06/14/553630614.db2.gz DDJFILYGSFMCNI-CCLHPLFOSA-N 0 0 526.029 5.299 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000019892444 553630866 /nfs/dbraw/zinc/63/08/66/553630866.db2.gz IVULQKYFYDTKKT-WINIVTDRSA-N 0 0 525.642 5.501 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1OC(C)C ZINC000019892546 553631115 /nfs/dbraw/zinc/63/11/15/553631115.db2.gz CQDCUECLKPTFHI-BXGKMRNVSA-N 0 0 533.665 6.194 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCC)c1 ZINC000019892632 553631124 /nfs/dbraw/zinc/63/11/24/553631124.db2.gz BOQCRGBWZZSERA-MNNSJKJDSA-N 0 0 535.637 5.044 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1 ZINC000019892680 553631366 /nfs/dbraw/zinc/63/13/66/553631366.db2.gz VKVVZFWBZZNONR-LYZGTLIUSA-N 0 0 521.679 6.131 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000019898371 553632344 /nfs/dbraw/zinc/63/23/44/553632344.db2.gz KMPOBCUKQRYRMZ-XMMPIXPASA-N 0 0 516.391 5.770 50 30 KKEARN CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC ZINC000071788534 553639489 /nfs/dbraw/zinc/63/94/89/553639489.db2.gz ZLGYVWRJIZPQMM-HHHXNRCGSA-N 0 0 579.756 7.376 50 30 in-vitro KKEARN COC(=O)c1c(C)c(C)sc1N1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000020343178 553639943 /nfs/dbraw/zinc/63/99/43/553639943.db2.gz KVAKQQWXDCLMGQ-UHFFFAOYSA-N 0 0 517.691 7.042 50 30 KKEARN O=C(C(c1ccccc1)c1ccccc1)N(O)[C@H]1CCCC[C@@H]1N(O)C(=O)C(c1ccccc1)c1ccccc1 ZINC000072099480 553640048 /nfs/dbraw/zinc/64/00/48/553640048.db2.gz FSKBHXVAXWHEQT-KYJUHHDHSA-N 0 0 534.656 6.397 50 30 KKEARN O=C(C(c1ccccc1)c1ccccc1)N(O)[C@@H]1CCCC[C@H]1N(O)C(=O)C(c1ccccc1)c1ccccc1 ZINC000072099479 553640099 /nfs/dbraw/zinc/64/00/99/553640099.db2.gz FSKBHXVAXWHEQT-LOYHVIPDSA-N 0 0 534.656 6.397 50 30 KKEARN COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000020353194 553640323 /nfs/dbraw/zinc/64/03/23/553640323.db2.gz YMPWHEDXEBSYMD-VFLNYLIXSA-N 0 0 515.586 5.902 50 30 KKEARN CCOP(=O)(OCC)[C@@H](c1ccccc1)N1C(=S)N=C(Nc2c(C)cccc2C)C12CCCCC2 ZINC000020418340 553647694 /nfs/dbraw/zinc/64/76/94/553647694.db2.gz XYWMCELFJQKKIA-DEOSSOPVSA-N 0 0 513.644 7.191 50 30 KKEARN COc1cccc(Cn2c(SCC(=O)Nc3ccc(C#N)cc3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 ZINC000072333412 553650561 /nfs/dbraw/zinc/65/05/61/553650561.db2.gz DHFWJDFJLRFUEA-UHFFFAOYSA-N 0 0 521.602 5.051 50 30 KKEARN O=C1/C(=C/c2c(Cl)cccc2Cl)CN(Cc2ccccc2)C/C1=C\c1c(Cl)cccc1Cl ZINC000020032206 553665851 /nfs/dbraw/zinc/66/58/51/553665851.db2.gz OZVYOTZHBNPPOB-KLCVKJMQSA-N 0 0 503.256 7.852 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000020568839 553673975 /nfs/dbraw/zinc/67/39/75/553673975.db2.gz PHSLRZRIHKCIII-OWOAZTCBSA-N 0 0 507.652 5.619 50 30 KKEARN CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084740168 553677887 /nfs/dbraw/zinc/67/78/87/553677887.db2.gz TUPKOWFPVAXQFP-OFNKIYASSA-N 0 0 598.506 8.367 50 30 KKEARN COC(=O)c1sccc1NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000020615722 553679633 /nfs/dbraw/zinc/67/96/33/553679633.db2.gz UWNKTPXMFLBQKD-XIEYBQDHSA-N 0 0 504.793 5.314 50 30 KKEARN O=C1CCCC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000020092756 553686048 /nfs/dbraw/zinc/68/60/48/553686048.db2.gz DZMDHSFGYFQABZ-HXUWFJFHSA-N 0 0 512.389 5.263 50 30 KKEARN CCOC(=O)COc1ccc2c(c1)/C(=N/NC(=S)Nc1c(C)cc(C)cc1C)CC1(CCCCC1)O2 ZINC000020683054 553688668 /nfs/dbraw/zinc/68/86/68/553688668.db2.gz PLZXJWXUUJIXRV-JJKYIXSRSA-N 0 0 509.672 5.730 50 30 KKEARN FC(F)(F)C(Oc1nc(Nc2ccc(I)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000095100410 553698977 /nfs/dbraw/zinc/69/89/77/553698977.db2.gz IUDQFFSXAGQWLG-UHFFFAOYSA-N 0 0 630.127 5.964 50 30 KKEARN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NCCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000095100422 553698986 /nfs/dbraw/zinc/69/89/86/553698986.db2.gz VEJSBHKFUZQWBN-UHFFFAOYSA-N 0 0 715.311 7.495 50 30 KKEARN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850076 553699601 /nfs/dbraw/zinc/69/96/01/553699601.db2.gz CHHWKNWVBSTMDH-QFIPXVFZSA-N 0 0 509.473 6.299 50 30 KKEARN Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000020850626 553699930 /nfs/dbraw/zinc/69/99/30/553699930.db2.gz VAACAOYCKBCFMQ-HSZRJFAPSA-N 0 0 523.500 6.608 50 30 KKEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1OC ZINC000020850926 553700245 /nfs/dbraw/zinc/70/02/45/553700245.db2.gz WXEFTVKDTJMJDB-VWLOTQADSA-N 0 0 504.656 5.944 50 30 KKEARN C/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000095628003 553706344 /nfs/dbraw/zinc/70/63/44/553706344.db2.gz HNYJHQMUSVNWPV-DRCJTWAYSA-N 0 0 566.870 9.995 50 30 biogenic,in-vitro KKEARN OCC(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681853 553707996 /nfs/dbraw/zinc/70/79/96/553707996.db2.gz ZVOWIXGGKDLFPF-VKHMYHEASA-N 0 0 500.095 5.623 50 30 KKEARN FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Oc4ccc5c(n4)nc(C(F)(F)F)cc5C(F)(F)F)cc3)nc2n1 ZINC000095686739 553708269 /nfs/dbraw/zinc/70/82/69/553708269.db2.gz YYFXPQWIQOOQRV-UHFFFAOYSA-N 0 0 638.368 9.233 50 30 KKEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095697023 553708398 /nfs/dbraw/zinc/70/83/98/553708398.db2.gz SHTZQFTXUMCALC-UHFFFAOYSA-N 0 0 600.109 6.894 50 30 KKEARN CCCCCCCCCCCc1nnc(SCc2ccc(C)cc2)n1-c1ccccc1C(F)(F)F ZINC000095703766 553708998 /nfs/dbraw/zinc/70/89/98/553708998.db2.gz RBYRLNFAFAHFKK-UHFFFAOYSA-N 0 0 503.678 8.960 50 30 KKEARN C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095713829 553709652 /nfs/dbraw/zinc/70/96/52/553709652.db2.gz QUKRIOLKOHUUBM-UHFFFAOYSA-N 0 0 518.163 6.115 50 30 KKEARN FC(F)(F)c1cc2c(c(C(F)(F)F)c1)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000095719288 553709809 /nfs/dbraw/zinc/70/98/09/553709809.db2.gz BOXFZLYPSMTSBF-VWLOTQADSA-N 0 0 632.448 10.776 50 30 KKEARN CCOC(=O)[C@@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725700 553710624 /nfs/dbraw/zinc/71/06/24/553710624.db2.gz ZMAOHOCJQOGULA-IBGZPJMESA-N 0 0 576.412 5.061 50 30 KKEARN CCOC(=O)[C@](O)(c1ccc(NC(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095725699 553710654 /nfs/dbraw/zinc/71/06/54/553710654.db2.gz ZMAOHOCJQOGULA-LJQANCHMSA-N 0 0 576.412 5.061 50 30 KKEARN CN(C(=O)COc1ccc(Cl)cc1)[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)C1=O ZINC000021539637 553711662 /nfs/dbraw/zinc/71/16/62/553711662.db2.gz MZOZADCRZZFDPL-RAJCYROYSA-N 0 0 500.447 6.624 50 30 KKEARN C=C(C)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1OC ZINC000096115438 553725629 /nfs/dbraw/zinc/72/56/29/553725629.db2.gz OTFAXMLNPJEHRH-LSYYVWMOSA-N 0 0 513.546 5.297 50 30 biogenic KKEARN C=CCn1c(SCc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 ZINC000096289626 553741736 /nfs/dbraw/zinc/74/17/36/553741736.db2.gz PCBQUZNVZZNLPQ-UHFFFAOYSA-N 0 0 509.557 5.767 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cccc(O)c2)cc1OC ZINC000096317080 553749752 /nfs/dbraw/zinc/74/97/52/553749752.db2.gz WLLFWOYEROQTAF-LGGPFLRQSA-N 0 0 517.622 5.647 50 30 KKEARN C(#CCN1CCN(CC#CCOC(c2ccccc2)c2ccccc2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000022789564 553750260 /nfs/dbraw/zinc/75/02/60/553750260.db2.gz OANBNOBZLYWVTR-UHFFFAOYSA-N 0 0 554.734 6.223 50 30 KKEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc(OC)c1OC ZINC000096319743 553751831 /nfs/dbraw/zinc/75/18/31/553751831.db2.gz DFKXIJAWZYOQGK-QHCPKHFHSA-N 0 0 524.618 5.393 50 30 KKEARN COc1ccc(/C=N/C2(c3nnnn3/C(=C/c3ccc(Cl)cc3Cl)CC(C)(C)C)CCCCC2)cc1 ZINC000096601985 553756943 /nfs/dbraw/zinc/75/69/43/553756943.db2.gz ZMEZJXIRZPJDQV-AHMMEZRQSA-N 0 0 526.512 7.701 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000097939608 553759654 /nfs/dbraw/zinc/75/96/54/553759654.db2.gz GDDMQGLIPXPJNG-PBBNMVCDSA-N 0 0 565.688 5.481 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000097939607 553759676 /nfs/dbraw/zinc/75/96/76/553759676.db2.gz GDDMQGLIPXPJNG-KCWXNJEJSA-N 0 0 565.688 5.481 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2ccc3c(c2)OCO3)cc1OC ZINC000097939606 553759713 /nfs/dbraw/zinc/75/97/13/553759713.db2.gz GDDMQGLIPXPJNG-ONOMSOESSA-N 0 0 565.688 5.481 50 30 KKEARN Cc1ccc2occ([C@@H]3C(C(=O)OC[C@@H]4CCCO4)=C(C)NC4=C3C(=O)C[C@@H](c3cccs3)C4)c(=O)c2c1 ZINC000097939643 553759960 /nfs/dbraw/zinc/75/99/60/553759960.db2.gz SMMNKVVVHMAHFE-RWYJCYHVSA-N 0 0 531.630 5.247 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000097939718 553760781 /nfs/dbraw/zinc/76/07/81/553760781.db2.gz FVDCKXRHQAUPHG-PIIWDFAUSA-N 0 0 529.614 5.461 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000097939745 553761037 /nfs/dbraw/zinc/76/10/37/553761037.db2.gz ZTAKJJSTPDDYMB-APYJYERMSA-N 0 0 583.681 6.356 50 30 KKEARN COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCCOC(C)C)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000097939766 553761057 /nfs/dbraw/zinc/76/10/57/553761057.db2.gz FZIJOJCAIICSRZ-DNOBIOAJSA-N 0 0 600.506 5.502 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2c(F)cccc2Cl)cc1OC ZINC000097939804 553761273 /nfs/dbraw/zinc/76/12/73/553761273.db2.gz GOLWPXKITFQQCE-PKHCJMHPSA-N 0 0 561.053 6.805 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000097939827 553761602 /nfs/dbraw/zinc/76/16/02/553761602.db2.gz WKCFYMROEJCLDK-JCOAXYOVSA-N 0 0 584.669 5.730 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000097939826 553761606 /nfs/dbraw/zinc/76/16/06/553761606.db2.gz WKCFYMROEJCLDK-BGOLNKOXSA-N 0 0 584.669 5.730 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939848 553761887 /nfs/dbraw/zinc/76/18/87/553761887.db2.gz CXAYAJDXPWOPMS-HEIROHQZSA-N 0 0 568.670 6.111 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000097939845 553761900 /nfs/dbraw/zinc/76/19/00/553761900.db2.gz DPKBUYFRRAYJAY-GPNASLBKSA-N 0 0 552.671 6.411 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1OC ZINC000097939873 553762165 /nfs/dbraw/zinc/76/21/65/553762165.db2.gz JYBMJDQRLZYXQR-PRAQEBQASA-N 0 0 589.088 6.380 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000097939914 553762475 /nfs/dbraw/zinc/76/24/75/553762475.db2.gz BHGWDRBVNVHQLO-JIYROHSKSA-N 0 0 568.670 6.111 50 30 KKEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc(OC)c1O ZINC000097939965 553762772 /nfs/dbraw/zinc/76/27/72/553762772.db2.gz LTVWQHUIGZAXHX-DEXQXJORSA-N 0 0 532.593 5.415 50 30 KKEARN COc1cccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2coc3ccc(C)cc3c2=O)c1 ZINC000097939972 553763005 /nfs/dbraw/zinc/76/30/05/553763005.db2.gz OVIDEGAEKATSHU-YKGWIAGDSA-N 0 0 557.643 5.440 50 30 KKEARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000097940000 553763292 /nfs/dbraw/zinc/76/32/92/553763292.db2.gz AGPJBRPFKKVLEA-JWRCQZCYSA-N 0 0 609.517 6.862 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ncc(Br)cc2Br)nsc1SCC(=O)Nc1ncc(Br)cc1Br ZINC000097940200 553763741 /nfs/dbraw/zinc/76/37/41/553763741.db2.gz IFVTUDHXXAIQAZ-UHFFFAOYSA-N 0 0 758.135 6.316 50 30 KKEARN FC(F)(F)C(Oc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F ZINC000097940215 553763843 /nfs/dbraw/zinc/76/38/43/553763843.db2.gz UDKLUNULXKJFPB-UHFFFAOYSA-N 0 0 504.231 5.359 50 30 KKEARN FC(F)(F)C(c1nc(N2CCCCCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000097940230 553763862 /nfs/dbraw/zinc/76/38/62/553763862.db2.gz PVSWIGMWTJVBGS-UHFFFAOYSA-N 0 0 614.275 7.101 50 30 KKEARN CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2C(F)(F)F)c1-c1ccc(C#N)cc1 ZINC000097940451 553765114 /nfs/dbraw/zinc/76/51/14/553765114.db2.gz KJLULCOXKSBWLS-UHFFFAOYSA-N 0 0 559.510 8.106 50 30 KKEARN CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O ZINC000097945271 553770914 /nfs/dbraw/zinc/77/09/14/553770914.db2.gz YHXZBMQSGOMJQS-UHFFFAOYSA-N 0 0 519.726 8.742 50 30 KKEARN CCCCCCCCCC(=O)Oc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1 ZINC000097945548 553772890 /nfs/dbraw/zinc/77/28/90/553772890.db2.gz KWWMGYRUWVTVAA-UHFFFAOYSA-N 0 0 531.263 8.147 50 30 KKEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097945615 553773364 /nfs/dbraw/zinc/77/33/64/553773364.db2.gz VWXYEYCOPUXSRN-PZGXJGMVSA-N 0 0 532.606 7.755 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000097945712 553774098 /nfs/dbraw/zinc/77/40/98/553774098.db2.gz WQGIJKUYLBKJIX-BNHRFMORSA-N 0 0 535.043 7.563 50 30 KKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000097945863 553775212 /nfs/dbraw/zinc/77/52/12/553775212.db2.gz LLYWPZMAOVCHNV-GTYOFVGBSA-N 0 0 537.660 7.449 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S ZINC000097946222 553777702 /nfs/dbraw/zinc/77/77/02/553777702.db2.gz QWYWUSYCBTXEHP-XHPQRKPJSA-N 0 0 519.736 7.418 50 30 KKEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)SC1=S ZINC000097946346 553778438 /nfs/dbraw/zinc/77/84/38/553778438.db2.gz KLLVJNFUMIBTCR-MOHJPFBDSA-N 0 0 550.731 5.101 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097946390 553779043 /nfs/dbraw/zinc/77/90/43/553779043.db2.gz JVFYCQMVHMBBCS-KMCFWPMWSA-N 0 0 697.611 5.597 50 30 KKEARN Cc1ccsc1C(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000023445411 553780009 /nfs/dbraw/zinc/78/00/09/553780009.db2.gz YOQMJSVCPSSANN-UHFFFAOYSA-N 0 0 525.630 5.085 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)cc1C ZINC000097946594 553780570 /nfs/dbraw/zinc/78/05/70/553780570.db2.gz KOBKHSZQNFGXSR-BRPDVVIDSA-N 0 0 575.694 5.880 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023447358 553780876 /nfs/dbraw/zinc/78/08/76/553780876.db2.gz SKTKSTIVGPYGHY-SANMLTNESA-N 0 0 524.448 5.590 50 30 KKEARN O=C(Nc1sc(N=NCc2cccc(Oc3ccccc3)c2)nc1-c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000097946875 553782126 /nfs/dbraw/zinc/78/21/26/553782126.db2.gz BTRXANUKGOATCY-KCSSXMTESA-N 0 0 603.929 8.717 50 30 KKEARN Brc1ccc(-c2ccc(/C=N/c3ccc(/N=C/c4ccc(-c5ccc(Br)cc5)o4)cc3)o2)cc1 ZINC000097946920 553782188 /nfs/dbraw/zinc/78/21/88/553782188.db2.gz CNJPBNYRKFILHT-LTTYKRRRSA-N 0 0 574.272 9.233 50 30 KKEARN Cc1ccsc1C(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023451320 553782226 /nfs/dbraw/zinc/78/22/26/553782226.db2.gz NQVUDWPIECZZOU-NDEPHWFRSA-N 0 0 514.695 5.244 50 30 KKEARN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000097947073 553783282 /nfs/dbraw/zinc/78/32/82/553783282.db2.gz CKUJSODSAQEHAO-FPODKLOTSA-N 0 0 570.118 6.647 50 30 KKEARN C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(C)cc2)s/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000097947068 553783291 /nfs/dbraw/zinc/78/32/91/553783291.db2.gz SICAUTHFGCXEII-MVJHLKBCSA-N 0 0 535.673 5.994 50 30 KKEARN C=CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccc(C)cc3)C(Cl)(Cl)Cl)cc2)SC1=S ZINC000097947053 553783354 /nfs/dbraw/zinc/78/33/54/553783354.db2.gz KCQRQNMTYBUNJO-UHWDDTASSA-N 0 0 541.909 5.887 50 30 KKEARN CCCCCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000097947236 553784701 /nfs/dbraw/zinc/78/47/01/553784701.db2.gz LKBSMTLIYQAUJJ-KQWNVCNZSA-N 0 0 550.706 5.597 50 30 KKEARN COc1ccc2c(c1)CCc1c-2noc1-c1ccc(C)c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000023458883 553784988 /nfs/dbraw/zinc/78/49/88/553784988.db2.gz XJBDJPSODRJZMD-UHFFFAOYSA-N 0 0 502.386 6.196 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2nc1SCc1ccc(C#N)cc1 ZINC000023458913 553785040 /nfs/dbraw/zinc/78/50/40/553785040.db2.gz QWUAOXFDHNUPEH-HXUWFJFHSA-N 0 0 512.701 5.047 50 30 KKEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2nc1SCc1cccc(C#N)c1 ZINC000023459661 553785522 /nfs/dbraw/zinc/78/55/22/553785522.db2.gz YEYYPISCXFSZEH-FQEVSTJZSA-N 0 0 512.701 5.047 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC)c(C)c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000097947486 553786516 /nfs/dbraw/zinc/78/65/16/553786516.db2.gz PEHGHGHDVJTWJM-VZVSMJQGSA-N 0 0 688.806 5.701 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947666 553788045 /nfs/dbraw/zinc/78/80/45/553788045.db2.gz PXXMEBQWIFWTKE-SUAMDDGLSA-N 0 0 609.487 5.457 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c2nc3ccccc3o2)cc1 ZINC000097947717 553788248 /nfs/dbraw/zinc/78/82/48/553788248.db2.gz FSOREIHOGMEYGJ-XHPQRKPJSA-N 0 0 554.042 8.281 50 30 KKEARN CCCOc1ccc(C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c2nc3ccccc3o2)cc1 ZINC000097947721 553788254 /nfs/dbraw/zinc/78/82/54/553788254.db2.gz DYURIEXHBOUXQZ-RRAHZORUSA-N 0 0 568.069 8.671 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OC)nnc1-c1cccc(N(C)C)c1 ZINC000097948292 553792840 /nfs/dbraw/zinc/79/28/40/553792840.db2.gz KMZHNPZWZJZGBH-UHFFFAOYSA-N 0 0 561.733 6.060 50 30 KKEARN CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000097948384 553793407 /nfs/dbraw/zinc/79/34/07/553793407.db2.gz AWDWPLVUWSMPOS-RCRUUEGKSA-N 0 0 566.595 7.858 50 30 KKEARN CCOC(=O)c1ccc(NC(=S)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097948441 553793870 /nfs/dbraw/zinc/79/38/70/553793870.db2.gz CTAARYAPYSNMQN-MUUNZHRXSA-N 0 0 570.671 6.785 50 30 KKEARN COc1cccc([C@H](CN2CCN(C(=O)c3oc4ccccc4c3C)CC2)OCc2ccc(C#N)cc2)c1 ZINC000025144911 553794810 /nfs/dbraw/zinc/79/48/10/553794810.db2.gz WQNSTOCZOPQRST-LJAQVGFWSA-N 0 0 509.606 5.337 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097948635 553795528 /nfs/dbraw/zinc/79/55/28/553795528.db2.gz LFDZYHZYPREMLE-GZGVDWRWSA-N 0 0 588.714 9.484 50 30 KKEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000097948761 553796513 /nfs/dbraw/zinc/79/65/13/553796513.db2.gz RHKMZFQMEZWVBQ-MNAQKMTRSA-N 0 0 602.493 8.747 50 30 KKEARN CCC(=O)N1c2ccccc2N=C2C[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097948769 553796528 /nfs/dbraw/zinc/79/65/28/553796528.db2.gz XHJQJUASFJJLER-PSTIOWGYSA-N 0 0 602.684 6.049 50 30 KKEARN CCCCCCCCCCCCCCCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000097948833 553797104 /nfs/dbraw/zinc/79/71/04/553797104.db2.gz FRZVDVUBNUZSQZ-WVXDQTCGSA-N 0 0 605.819 9.331 50 30 KKEARN CCN(CC)C(=O)c1sc(NC(=O)CCSCCC(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)c(C#N)c1C ZINC000097948923 553797908 /nfs/dbraw/zinc/79/79/08/553797908.db2.gz WGNIORGMJLEYLE-UHFFFAOYSA-N 0 0 616.835 5.224 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000097948965 553798121 /nfs/dbraw/zinc/79/81/21/553798121.db2.gz OAXKKUNHFQHJDU-BHNGRWRESA-N 0 0 622.693 7.383 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4cc(OC)c(OC)c(OC)c4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000097948968 553798239 /nfs/dbraw/zinc/79/82/39/553798239.db2.gz OAXKKUNHFQHJDU-COOREUGTSA-N 0 0 622.693 7.383 50 30 KKEARN COc1ccc2[nH]c(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)nc2c1 ZINC000097949047 553798719 /nfs/dbraw/zinc/79/87/19/553798719.db2.gz RAZUVYCVHDHFDU-NMRUTFGKSA-N 0 0 634.733 7.412 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000097949032 553798773 /nfs/dbraw/zinc/79/87/73/553798773.db2.gz KPNDUFPHUANICP-SXSCYYOBSA-N 0 0 633.188 8.937 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc1 ZINC000097949112 553799308 /nfs/dbraw/zinc/79/93/08/553799308.db2.gz ZGKYLVPVPXWPCE-PVAZPRTOSA-N 0 0 646.794 9.748 50 30 KKEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097949244 553800480 /nfs/dbraw/zinc/80/04/80/553800480.db2.gz LOIMSBNQCOCWBD-UNHQYKRWSA-N 0 0 685.220 9.541 50 30 KKEARN CCCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000097949316 553801416 /nfs/dbraw/zinc/80/14/16/553801416.db2.gz CKGOEWQCMQTAKP-HNNXBMFYSA-N 0 0 822.224 11.029 50 30 KKEARN CCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000097949439 553802058 /nfs/dbraw/zinc/80/20/58/553802058.db2.gz DPOPLAMVKKGYBF-UHFFFAOYSA-N 0 0 513.770 9.217 50 30 KKEARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSc1nc(CC(C)C)ccc1C#N ZINC000097949540 553802289 /nfs/dbraw/zinc/80/22/89/553802289.db2.gz ARQVFVQJJTZICJ-UHFFFAOYSA-N 0 0 544.471 5.800 50 30 KKEARN CCCCCCCCCCCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O ZINC000097949656 553802616 /nfs/dbraw/zinc/80/26/16/553802616.db2.gz UZMAXFTWAQIXGA-UHFFFAOYSA-N 0 0 500.703 5.563 50 30 KKEARN CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949731 553802760 /nfs/dbraw/zinc/80/27/60/553802760.db2.gz UUBYHMPZSNXTFM-JOCHJYFZSA-N 0 0 507.462 7.234 50 30 KKEARN CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949766 553803154 /nfs/dbraw/zinc/80/31/54/553803154.db2.gz JBEWGXFOHRTWPE-QFIPXVFZSA-N 0 0 507.462 7.234 50 30 KKEARN CCCCCCCCCCCCCCCCCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCC2 ZINC000097949811 553803452 /nfs/dbraw/zinc/80/34/52/553803452.db2.gz BWBCPDOZNXQVCO-UHFFFAOYSA-N 0 0 500.775 9.521 50 30 KKEARN CCCCCCCCOc1cc(I)c(OCCCCCCCC)c(I)c1 ZINC000097950611 553805002 /nfs/dbraw/zinc/80/50/02/553805002.db2.gz YOVUSYDSNRTNGW-UHFFFAOYSA-N 0 0 586.336 8.374 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000097950903 553805988 /nfs/dbraw/zinc/80/59/88/553805988.db2.gz YIFNREWHZZCZGX-JOCHJYFZSA-N 0 0 523.014 7.877 50 30 KKEARN CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OCC)cc1)C(Cl)(Cl)Cl ZINC000097950933 553806271 /nfs/dbraw/zinc/80/62/71/553806271.db2.gz XIBZWAIQYSPCSF-XMMPIXPASA-N 0 0 567.067 8.275 50 30 KKEARN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000097951024 553806505 /nfs/dbraw/zinc/80/65/05/553806505.db2.gz MDTMPFIIFHDGOI-GKVSMKOHSA-N 0 0 548.458 7.307 50 30 KKEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1 ZINC000097951289 553808059 /nfs/dbraw/zinc/80/80/59/553808059.db2.gz IPWSEMBACCESFP-WJOKGBTCSA-N 0 0 547.611 7.620 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4 ZINC000097951376 553808539 /nfs/dbraw/zinc/80/85/39/553808539.db2.gz YABFTDVDTLVLIG-UHFFFAOYSA-N 0 0 539.830 9.731 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(OC(F)F)cc3OC(F)F)cc2)CC1 ZINC000025424611 553808925 /nfs/dbraw/zinc/80/89/25/553808925.db2.gz BAGUUYRXLUSQIQ-WEVVVXLNSA-N 0 0 501.498 5.206 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000097951507 553809417 /nfs/dbraw/zinc/80/94/17/553809417.db2.gz ACDLALUMAGIOOG-LGGPFLRQSA-N 0 0 548.605 7.456 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000097951508 553809418 /nfs/dbraw/zinc/80/94/18/553809418.db2.gz ACDLALUMAGIOOG-ONOMSOESSA-N 0 0 548.605 7.456 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000097951573 553809909 /nfs/dbraw/zinc/80/99/09/553809909.db2.gz HNNFPGASZYCWFD-NDEPHWFRSA-N 0 0 535.556 5.656 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000025560485 553810104 /nfs/dbraw/zinc/81/01/04/553810104.db2.gz OJXWOGTWWZMYMS-HSZRJFAPSA-N 0 0 507.936 6.786 50 30 KKEARN O=C(NN1/C(=N/c2ccccc2)SC[C@@]1(O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000025560347 553810132 /nfs/dbraw/zinc/81/01/32/553810132.db2.gz ZFMFTTPMNRXFML-CKVBZJJFSA-N 0 0 502.821 5.329 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000097951743 553811168 /nfs/dbraw/zinc/81/11/68/553811168.db2.gz KPWQEDAZPUCXSS-SANMLTNESA-N 0 0 520.552 8.215 50 30 KKEARN CCCCCCCN1C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097951938 553811972 /nfs/dbraw/zinc/81/19/72/553811972.db2.gz UIEJOFDLLAIREP-XMMPIXPASA-N 0 0 549.659 6.796 50 30 KKEARN CCCCCCCN1C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000097951939 553811996 /nfs/dbraw/zinc/81/19/96/553811996.db2.gz UIEJOFDLLAIREP-DEOSSOPVSA-N 0 0 549.659 6.796 50 30 KKEARN CCCCCCCN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000097952014 553812567 /nfs/dbraw/zinc/81/25/67/553812567.db2.gz JWDKPFBJPNGGSQ-NRFANRHFSA-N 0 0 507.578 5.887 50 30 KKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000025783439 553813846 /nfs/dbraw/zinc/81/38/46/553813846.db2.gz ALJLZIGQSGGHEM-WINIVTDRSA-N 0 0 518.444 6.697 50 30 KKEARN CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000025782828 553813861 /nfs/dbraw/zinc/81/38/61/553813861.db2.gz YXWCBRDRVXHABN-RYMFKXGFSA-N 0 0 510.392 7.931 50 30 in-man KKEARN CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000025783636 553814104 /nfs/dbraw/zinc/81/41/04/553814104.db2.gz YBTWNDVZXOFUBT-JOCHJYFZSA-N 0 0 523.014 6.101 50 30 KKEARN Cc1ccsc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000025783565 553814107 /nfs/dbraw/zinc/81/41/07/553814107.db2.gz KIXFEUJQJSGEGS-NIYFSFCBSA-N 0 0 522.592 7.076 50 30 KKEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000025783442 553814141 /nfs/dbraw/zinc/81/41/41/553814141.db2.gz ALJLZIGQSGGHEM-PPHZAIPVSA-N 0 0 518.444 6.697 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097952388 553815454 /nfs/dbraw/zinc/81/54/54/553815454.db2.gz GLJVJXUPOQAIMJ-XMMPIXPASA-N 0 0 529.574 5.921 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097952520 553816252 /nfs/dbraw/zinc/81/62/52/553816252.db2.gz LKUVXGJWKSYNKB-SSEXGKCCSA-N 0 0 534.612 6.146 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952603 553816992 /nfs/dbraw/zinc/81/69/92/553816992.db2.gz XBQSTCWTMSZQDB-MHZLTWQESA-N 0 0 524.529 5.854 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000097952584 553817118 /nfs/dbraw/zinc/81/71/18/553817118.db2.gz ZKYZBEVBMMREFX-HHHXNRCGSA-N 0 0 540.685 7.338 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OCC ZINC000097952932 553817702 /nfs/dbraw/zinc/81/77/02/553817702.db2.gz HQIXXXBFSVOSFC-LJAQVGFWSA-N 0 0 543.616 5.814 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097952680 553817732 /nfs/dbraw/zinc/81/77/32/553817732.db2.gz QKYMKXVWFSRODM-MUUNZHRXSA-N 0 0 544.604 5.209 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952671 553817787 /nfs/dbraw/zinc/81/77/87/553817787.db2.gz RJWBYECVXCQESF-AREMUKBSSA-N 0 0 526.614 6.030 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952961 553818136 /nfs/dbraw/zinc/81/81/36/553818136.db2.gz QKNUXFNPFNQCCM-AREMUKBSSA-N 0 0 542.613 5.866 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097952987 553818522 /nfs/dbraw/zinc/81/85/22/553818522.db2.gz JEMWRNRAEAPMDT-GDLZYMKVSA-N 0 0 541.600 5.242 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000097953107 553819507 /nfs/dbraw/zinc/81/95/07/553819507.db2.gz YAUYQAQFEURWEV-NDEPHWFRSA-N 0 0 531.785 9.047 50 30 KKEARN CCCCCCCCCCCCn1c(N)c(C(=O)NCCc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000097953947 553819962 /nfs/dbraw/zinc/81/99/62/553819962.db2.gz ILEFSXAGAUKTJB-UHFFFAOYSA-N 0 0 529.729 7.069 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000097953989 553820472 /nfs/dbraw/zinc/82/04/72/553820472.db2.gz XPRAVUIGZNMGIS-LJAQVGFWSA-N 0 0 548.595 5.534 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccccc2)cc1OC ZINC000097953995 553820523 /nfs/dbraw/zinc/82/05/23/553820523.db2.gz HTVSRSOYLYIHDI-GDLZYMKVSA-N 0 0 543.616 5.814 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097954004 553820678 /nfs/dbraw/zinc/82/06/78/553820678.db2.gz ZMDCQHHISBEVJV-IIMAJNMQSA-N 0 0 532.596 5.763 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)cc1OCC ZINC000097954151 553821571 /nfs/dbraw/zinc/82/15/71/553821571.db2.gz MBAPXEGTLPWMMI-OLILMLBXSA-N 0 0 545.632 6.349 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000097954233 553822253 /nfs/dbraw/zinc/82/22/53/553822253.db2.gz WNZJTZQETCLYAR-NDEPHWFRSA-N 0 0 531.785 9.047 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000097954226 553822275 /nfs/dbraw/zinc/82/22/75/553822275.db2.gz MWLCNHKRULYVBI-MUUNZHRXSA-N 0 0 531.785 9.047 50 30 KKEARN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C/c5ccccc5Cl)nc4c32)cc1 ZINC000097954540 553823853 /nfs/dbraw/zinc/82/38/53/553823853.db2.gz WMXJYCDDKAYKHM-VNODALHLSA-N 0 0 548.002 6.776 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000027021718 553824334 /nfs/dbraw/zinc/82/43/34/553824334.db2.gz KXOOWKBLBSCGDB-HXUWFJFHSA-N 0 0 502.621 5.624 50 30 KKEARN CC1=C(C(=O)c2ccccc2)[C@](NC(=O)c2ccc(OC(C)C)cc2)(C(F)(F)F)C(=O)N1CC1CCCCC1 ZINC000097954839 553825735 /nfs/dbraw/zinc/82/57/35/553825735.db2.gz HXCQQPXSRABVQF-GDLZYMKVSA-N 0 0 542.598 6.084 50 30 KKEARN N#Cc1c2c(sc1/N=c1\oc3ccc(Br)cc3cc1C(=O)Nc1ccccc1)CCCC2 ZINC000027520255 553827004 /nfs/dbraw/zinc/82/70/04/553827004.db2.gz FUGZLJNQCIRJTJ-OLFWJLLRSA-N 0 0 504.409 6.492 50 30 KKEARN CCCc1cc(SCC(=O)Nc2sc3c(c2C(=O)OCC)C[C@H](C)CC3)n2c3ccccc3nc2c1C#N ZINC000097954980 553827182 /nfs/dbraw/zinc/82/71/82/553827182.db2.gz ZFDYJTWSTMISKU-QGZVFWFLSA-N 0 0 546.718 6.405 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000097955049 553828021 /nfs/dbraw/zinc/82/80/21/553828021.db2.gz MEOFQBLSASCEKX-HMILPKGGSA-N 0 0 538.669 7.143 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000097955111 553828701 /nfs/dbraw/zinc/82/87/01/553828701.db2.gz CXPUNQIOJNZZPD-WHLCRQNOSA-N 0 0 552.696 7.317 50 30 KKEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955116 553828824 /nfs/dbraw/zinc/82/88/24/553828824.db2.gz XTCCZDXGNQAXNB-ODCWNRFASA-N 0 0 547.032 6.455 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522417 553828977 /nfs/dbraw/zinc/82/89/77/553828977.db2.gz KEAIYPXSFZTDGO-SUYRBLAESA-N 0 0 517.607 5.032 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)NCCc3ccccc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000027522426 553829003 /nfs/dbraw/zinc/82/90/03/553829003.db2.gz IIXIRCMWWKTWKW-IOYDYCAWSA-N 0 0 508.043 5.229 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000027522414 553829058 /nfs/dbraw/zinc/82/90/58/553829058.db2.gz LYPPJBSACNIEMW-SUYRBLAESA-N 0 0 501.608 5.066 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097955157 553829144 /nfs/dbraw/zinc/82/91/44/553829144.db2.gz GJHVHEAQXNVGJE-JRPXNJEYSA-N 0 0 541.644 6.019 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cccc(Cl)c3)S2)cc1 ZINC000027522536 553829319 /nfs/dbraw/zinc/82/93/19/553829319.db2.gz VIEXWILYSFGYGV-DQHMDIJASA-N 0 0 522.026 5.330 50 30 KKEARN COc1ccc(/C=C/C(=O)c2ccc(-n3c(/C=C/c4ccc(OC)cc4)nc4ccccc4c3=O)cc2)cc1 ZINC000027522954 553829652 /nfs/dbraw/zinc/82/96/52/553829652.db2.gz CNFUTCDNZGSTED-XHQRYOPUSA-N 0 0 514.581 6.469 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097955209 553829870 /nfs/dbraw/zinc/82/98/70/553829870.db2.gz JRSAYIUCLRXWRK-MUUNZHRXSA-N 0 0 544.604 5.209 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955233 553830212 /nfs/dbraw/zinc/83/02/12/553830212.db2.gz REEXOHVOGRQKHE-PPGPUPIYSA-N 0 0 648.737 7.389 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000027527902 553830917 /nfs/dbraw/zinc/83/09/17/553830917.db2.gz AIBPNFZVRQVLKE-UYRXBGFRSA-N 0 0 506.443 5.973 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955630 553831992 /nfs/dbraw/zinc/83/19/92/553831992.db2.gz ATCIFEOOTWDWKI-QJWGWKRISA-N 0 0 604.684 6.990 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955662 553832452 /nfs/dbraw/zinc/83/24/52/553832452.db2.gz MNDYHPRRHDTCDQ-IVCQMTBJSA-N 0 0 540.597 5.498 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955700 553832817 /nfs/dbraw/zinc/83/28/17/553832817.db2.gz UYOVYQNSPYFGNZ-IVCQMTBJSA-N 0 0 531.033 6.673 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955690 553832906 /nfs/dbraw/zinc/83/29/06/553832906.db2.gz LBSUXIAXGXSGIQ-ODCWNRFASA-N 0 0 531.033 6.618 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1 ZINC000027547046 553833024 /nfs/dbraw/zinc/83/30/24/553833024.db2.gz OUYDNSIQNFBBLY-OLILMLBXSA-N 0 0 512.581 5.843 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955727 553833144 /nfs/dbraw/zinc/83/31/44/553833144.db2.gz RAGZBCVUFQDARK-MQFAKOPTSA-N 0 0 636.701 7.519 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955720 553833160 /nfs/dbraw/zinc/83/31/60/553833160.db2.gz CUFKJRYYJSMKSC-CLYVBNDRSA-N 0 0 540.641 6.500 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955723 553833172 /nfs/dbraw/zinc/83/31/72/553833172.db2.gz OFJJFZRERNPNDG-CMJOXMDJSA-N 0 0 548.617 5.133 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000027547961 553833182 /nfs/dbraw/zinc/83/31/82/553833182.db2.gz XZGQWZDROAKDNV-DFBJGRDBSA-N 0 0 508.565 6.767 50 30 KKEARN CSc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000027547658 553833193 /nfs/dbraw/zinc/83/31/93/553833193.db2.gz PDLIXUICZQBEGL-QHCPKHFHSA-N 0 0 500.586 6.670 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955737 553833540 /nfs/dbraw/zinc/83/35/40/553833540.db2.gz VLSDSOWSMUFISA-OLILMLBXSA-N 0 0 568.695 7.198 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955747 553833604 /nfs/dbraw/zinc/83/36/04/553833604.db2.gz VCIJWGKXDIGZOC-LMKMVOKYSA-N 0 0 541.585 5.928 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955876 553834890 /nfs/dbraw/zinc/83/48/90/553834890.db2.gz HFXHBJCRGQIUGD-DXPJPUQTSA-N 0 0 542.613 5.810 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956550 553839422 /nfs/dbraw/zinc/83/94/22/553839422.db2.gz INPODPIXYPKURC-QMTYFTJSSA-N 0 0 542.588 6.107 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097956709 553841136 /nfs/dbraw/zinc/84/11/36/553841136.db2.gz XJISNQOQOJPWLD-LJAQVGFWSA-N 0 0 534.568 5.210 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000028627965 553843108 /nfs/dbraw/zinc/84/31/08/553843108.db2.gz FSHREYLAAUFCBT-JRWMAURKSA-N 0 0 500.624 5.184 50 30 KKEARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)c2)C1 ZINC000029493035 553846128 /nfs/dbraw/zinc/84/61/28/553846128.db2.gz DNDRICJKYOPRJW-ZRZAMGCNSA-N 0 0 546.737 5.163 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097957664 553847477 /nfs/dbraw/zinc/84/74/77/553847477.db2.gz XCHLKHZCISXQPT-MDNSZFDISA-N 0 0 660.796 6.005 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cn(CCOc4cccc(OC)c4)c4ccccc34)C2=N)S1 ZINC000097957784 553848433 /nfs/dbraw/zinc/84/84/33/553848433.db2.gz GKOXJMFSLOBFQN-RBXQIHJPSA-N 0 0 543.693 6.709 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000097957806 553848477 /nfs/dbraw/zinc/84/84/77/553848477.db2.gz ATIGILQBQWNRAN-SKCJHTIKSA-N 0 0 561.660 5.431 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000029747953 553849095 /nfs/dbraw/zinc/84/90/95/553849095.db2.gz BHCXWBVXWFKDBI-IPBJYNAHSA-N 0 0 538.644 6.021 50 30 KKEARN COc1cc(/C=C2/C(=O)N=C3SC(C(C)C)=NN3C2=N)cc(I)c1OCc1ccccc1C#N ZINC000097957908 553849551 /nfs/dbraw/zinc/84/95/51/553849551.db2.gz JQZABSHOOVKEAA-WSVQXXKJSA-N 0 0 585.427 5.026 50 30 KKEARN COc1cc(Br)c(Br)c(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1O ZINC000097957961 553849836 /nfs/dbraw/zinc/84/98/36/553849836.db2.gz OZEHOHWKNRFWDM-RPPGKUMJSA-N 0 0 545.231 6.551 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000029748949 553850410 /nfs/dbraw/zinc/85/04/10/553850410.db2.gz LBNSWCUCWBAHCQ-UGDMGKLASA-N 0 0 603.737 6.167 50 30 KKEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000029748959 553850471 /nfs/dbraw/zinc/85/04/71/553850471.db2.gz LBNSWCUCWBAHCQ-JPZYQRIQSA-N 0 0 603.737 6.167 50 30 KKEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCSCC)[C@H]3c2coc3ccc(C)cc3c2=O)cc1OC ZINC000029748955 553850466 /nfs/dbraw/zinc/85/04/66/553850466.db2.gz LBNSWCUCWBAHCQ-WKRVVKTRSA-N 0 0 603.737 6.167 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(I)c(OCCOc4ccc(C)c(C)c4)c(OC)c3)C2=N)S1 ZINC000097958130 553851445 /nfs/dbraw/zinc/85/14/45/553851445.db2.gz GOWFKDJJGMMFMI-GBAQIOGOSA-N 0 0 674.605 7.354 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc(Br)c(OCc4ccccc4)c(OC)c3)nc(NCc3ccco3)n2)cc1 ZINC000030072248 553855185 /nfs/dbraw/zinc/85/51/85/553855185.db2.gz PVAKMNKBECVKHX-FZPRHHONSA-N 0 0 630.503 6.625 50 30 KKEARN CCOc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OCc1ccccc1C#N ZINC000097958539 553855490 /nfs/dbraw/zinc/85/54/90/553855490.db2.gz GATCZGSFUXUSJI-VKJGEAABSA-N 0 0 542.020 5.857 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1I ZINC000097958837 553858072 /nfs/dbraw/zinc/85/80/72/553858072.db2.gz HXDAWKPEFQUANC-IAOUMNOZSA-N 0 0 803.460 6.047 50 30 KKEARN C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097959322 553862612 /nfs/dbraw/zinc/86/26/12/553862612.db2.gz GVPJBDOUADSJNN-UHFFFAOYSA-N 0 0 524.996 6.187 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3Cl)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000097959643 553865210 /nfs/dbraw/zinc/86/52/10/553865210.db2.gz PUUVWMCYISHGAY-PQHDRGKASA-N 0 0 523.998 5.238 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(OCC)c3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000097959681 553865489 /nfs/dbraw/zinc/86/54/89/553865489.db2.gz VAFDDLHZUOPMDC-QIPXUYOGSA-N 0 0 605.713 5.482 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(Br)cc1OCc1ccccc1C#N ZINC000097959831 553866373 /nfs/dbraw/zinc/86/63/73/553866373.db2.gz LOFRPZVABNUBNZ-FOKLQQMPSA-N 0 0 538.398 5.939 50 30 KKEARN Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000097960092 553868046 /nfs/dbraw/zinc/86/80/46/553868046.db2.gz ORZOTSGTYIPKQO-ZVHZXABRSA-N 0 0 520.427 6.791 50 30 KKEARN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000097960093 553868074 /nfs/dbraw/zinc/86/80/74/553868074.db2.gz XQMSYCURNWLHJM-MZJWZYIUSA-N 0 0 566.485 8.011 50 30 KKEARN O=C(COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1Br)Nc1ccccc1 ZINC000097960082 553868077 /nfs/dbraw/zinc/86/80/77/553868077.db2.gz FGVUDIXDHQSOQD-FYJGNVAPSA-N 0 0 526.387 5.497 50 30 KKEARN COc1cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(Br)c1OCc1ccccc1 ZINC000097960170 553868800 /nfs/dbraw/zinc/86/88/00/553868800.db2.gz SGLAJSZIQPFOPJ-UCQKPKSFSA-N 0 0 523.452 6.545 50 30 KKEARN CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(Cl)cc4Cl)c(OC)c3)S2)cc1 ZINC000097960198 553868823 /nfs/dbraw/zinc/86/88/23/553868823.db2.gz BNYUWNLZHLVKHM-FSJBWODESA-N 0 0 592.342 7.798 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCN(CCc2ccccn2)CC1 ZINC000032624506 553870536 /nfs/dbraw/zinc/87/05/36/553870536.db2.gz WYTFXBBKXUGLJA-UHFFFAOYSA-N 0 0 500.002 5.205 50 30 KKEARN O=S(=O)(c1cccc(/N=C/c2c(Cl)cccc2Cl)c1)c1cccc(/N=C/c2c(Cl)cccc2Cl)c1 ZINC000097960576 553872701 /nfs/dbraw/zinc/87/27/01/553872701.db2.gz SJOLDCVZJLTLQE-IHXWQEJPSA-N 0 0 562.305 8.634 50 30 KKEARN COc1ccccc1/N=C1\S/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2)C(=O)N1c1ccccc1OC ZINC000097960798 553873279 /nfs/dbraw/zinc/87/32/79/553873279.db2.gz CQSJFVZRQZAKGV-QIBWZKJESA-N 0 0 680.418 8.616 50 30 KKEARN Ic1cccc(/C=N/c2cccc3c(/N=C/c4cccc(I)c4)cccc23)c1 ZINC000097960674 553873287 /nfs/dbraw/zinc/87/32/87/553873287.db2.gz ZUWNSSJCYKBJTP-DPCVLPDWSA-N 0 0 586.214 7.550 50 30 KKEARN FC(F)(F)c1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1 ZINC000097960673 553873374 /nfs/dbraw/zinc/87/33/74/553873374.db2.gz WTVSWNJRKCRAEI-PKRYOZTKSA-N 0 0 512.453 9.018 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2cc(OC)ccc2OC)C[C@H](C(C)(C)C)CC3)cc1 ZINC000097961043 553875133 /nfs/dbraw/zinc/87/51/33/553875133.db2.gz GBKCLLAVKCJNLE-BSAWEUQCSA-N 0 0 548.705 7.096 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3cc(OC)c(OC)cc3OC)c2C(=O)Nc2ccccc2OC)C1 ZINC000097961049 553875162 /nfs/dbraw/zinc/87/51/62/553875162.db2.gz YSFWZSVLHLMLLT-WKULSOCRSA-N 0 0 553.637 5.300 50 30 KKEARN CCOC(=O)N1CCc2c(sc(/N=C/c3ccc(OC)c(OC)c3OC)c2C(=O)Nc2ccccc2OC)C1 ZINC000097961054 553875188 /nfs/dbraw/zinc/87/51/88/553875188.db2.gz URSKDFZFPGDGBV-WKULSOCRSA-N 0 0 553.637 5.300 50 30 KKEARN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1OC ZINC000097962049 553882480 /nfs/dbraw/zinc/88/24/80/553882480.db2.gz URIXABPVXYAGQB-AXPYDQDRSA-N 0 0 573.613 5.472 50 30 KKEARN COc1ccc(/C(C)=N\OCc2nc3c4c(ncn3n2)Oc2c3ccccc3ccc2[C@@H]4c2ccc(OC)cc2)cc1 ZINC000097962033 553882513 /nfs/dbraw/zinc/88/25/13/553882513.db2.gz RALFEWCHHCQSBM-XCKNBCKJSA-N 0 0 557.610 6.521 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(CO/N=C(\C)c5cccs5)nc4c32)cc1 ZINC000097962027 553882530 /nfs/dbraw/zinc/88/25/30/553882530.db2.gz YGGNQFHYMNZOHF-LYMBNDKLSA-N 0 0 563.643 5.915 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(\C)c5cccs5)nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000097962067 553882866 /nfs/dbraw/zinc/88/28/66/553882866.db2.gz LLGPIIADBDJCOL-PNEXRJAKSA-N 0 0 563.639 6.583 50 30 KKEARN Cc1ccc(C(C)C)cc1CN1c2ccc(Br)cc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000097962084 553883076 /nfs/dbraw/zinc/88/30/76/553883076.db2.gz JHDKNMXLKLIMJB-ANHHIGLGSA-N 0 0 544.489 6.844 50 30 KKEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1OC ZINC000097962582 553884619 /nfs/dbraw/zinc/88/46/19/553884619.db2.gz VURRETVICZTKJI-NULZLWRNSA-N 0 0 615.549 5.663 50 30 KKEARN COc1ccc(C(=O)C2=CN(c3ccc(Br)cc3)c3ccccc3S2(=O)=O)cc1OC ZINC000032984496 553884728 /nfs/dbraw/zinc/88/47/28/553884728.db2.gz ZOSFULDKMVNKKA-UHFFFAOYSA-N 0 0 500.370 5.116 50 30 KKEARN O=C(Nc1ccc(-c2nc3c(ccc(NC(=O)c4ccc(N=Cc5ccccc5O)cc4)c3Cl)[nH]2)cc1Cl)c1ccc(N=Cc2ccccc2O)cc1 ZINC000097962857 553885663 /nfs/dbraw/zinc/88/56/63/553885663.db2.gz WGOLMOMDEUUZSA-RMMYSIIPSA-N 0 0 739.619 9.954 50 30 KKEARN O=C(Nc1cccc(NC(=O)c2cc(/N=C/c3ccccn3)cc(/N=C/c3ccccn3)c2)c1)c1cc(/N=C/c2ccccn2)cc(/N=C/c2ccccn2)c1 ZINC000097962859 553885716 /nfs/dbraw/zinc/88/57/16/553885716.db2.gz IJSZWGUHYGWWMH-KTERGDCSSA-N 0 0 732.808 8.774 50 30 KKEARN CCCC(=O)N1c2ccc(CC)cc2-c2nnc(SCCC(C)C)nc2O[C@@H]1c1ccc(C#N)cc1 ZINC000032997937 553887535 /nfs/dbraw/zinc/88/75/35/553887535.db2.gz LAFNSBUUQRPWJC-HHHXNRCGSA-N 0 0 501.656 6.335 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 ZINC000097963917 553895373 /nfs/dbraw/zinc/89/53/73/553895373.db2.gz MZPHWBILAJAYKR-UHFFFAOYSA-N 0 0 500.386 6.488 50 30 KKEARN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000097964035 553895910 /nfs/dbraw/zinc/89/59/10/553895910.db2.gz YISRZNUOSMSBDC-UAMLYTHZSA-N 0 0 585.564 7.690 50 30 KKEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=N)S1 ZINC000097964982 553902277 /nfs/dbraw/zinc/90/22/77/553902277.db2.gz IYXLCBKLCXQJIT-WNUQXASFSA-N 0 0 518.086 7.323 50 30 KKEARN CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)/c(=N/c2cc(C(F)(F)F)ccc2F)c2ccccc21 ZINC000097965636 553905751 /nfs/dbraw/zinc/90/57/51/553905751.db2.gz QEIOVXKQWYSRBH-QCFMCPCVSA-N 0 0 539.426 7.462 50 30 KKEARN C/C(=N/NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000097965676 553905759 /nfs/dbraw/zinc/90/57/59/553905759.db2.gz YCWSOEUTIGMEGM-JNNAGZRYSA-N 0 0 554.271 5.467 50 30 KKEARN O=C(Nc1cccc(C(F)(F)F)c1)c1c2c(sc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)CCCC2 ZINC000097965629 553905875 /nfs/dbraw/zinc/90/58/75/553905875.db2.gz QNTBCZBDIFCUDS-ODQASSKESA-N 0 0 647.944 9.644 50 30 KKEARN COc1ccccc1[C@H]1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c21 ZINC000097965899 553906084 /nfs/dbraw/zinc/90/60/84/553906084.db2.gz OSAAFHUCBSQOOW-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN COc1ccc(-c2oc(/N=C/c3cn(Cc4ccccc4)c4ccccc34)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000097966014 553906497 /nfs/dbraw/zinc/90/64/97/553906497.db2.gz CLHGYCFWOCHGFH-FDALDRLYSA-N 0 0 537.619 8.256 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br ZINC000097966271 553907911 /nfs/dbraw/zinc/90/79/11/553907911.db2.gz BKZOATSNGPEZNG-BJITYFATSA-N 0 0 580.507 7.704 50 30 KKEARN N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=c1sc(=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(=O)n1-c1ccccc1 ZINC000097966675 553909680 /nfs/dbraw/zinc/90/96/80/553909680.db2.gz BASPUUYIQBTINI-PSLKWVRNSA-N 0 0 691.390 6.979 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000097966750 553910021 /nfs/dbraw/zinc/91/00/21/553910021.db2.gz FORSEMNXOQCWEV-GDLZYMKVSA-N 0 0 553.615 5.153 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000033097121 553910518 /nfs/dbraw/zinc/91/05/18/553910518.db2.gz YJMUDZVQRVYPDW-NDGJVACWSA-N 0 0 512.675 7.601 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)cc1 ZINC000033097104 553910599 /nfs/dbraw/zinc/91/05/99/553910599.db2.gz RJDSUUVDLAGOPI-NGWFYZAESA-N 0 0 500.620 7.060 50 30 KKEARN CCCCCCCCCCCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000097966883 553911495 /nfs/dbraw/zinc/91/14/95/553911495.db2.gz BUEWVDJDRFFMFD-DYTRJAOYSA-N 0 0 511.176 7.139 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000097967097 553913865 /nfs/dbraw/zinc/91/38/65/553913865.db2.gz VJOIBDUYMQIKCH-GDLZYMKVSA-N 0 0 548.724 5.628 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccccc2)nc1C ZINC000097967150 553914368 /nfs/dbraw/zinc/91/43/68/553914368.db2.gz YWKXLULHBVRDJB-AREMUKBSSA-N 0 0 568.651 6.299 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCc1ccccc1 ZINC000097967220 553915282 /nfs/dbraw/zinc/91/52/82/553915282.db2.gz NULXDRBPBRHLMK-PVAZPRTOSA-N 0 0 575.661 6.419 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000097967213 553915292 /nfs/dbraw/zinc/91/52/92/553915292.db2.gz ACDQGJAYPDPCRM-KCEHZKJRSA-N 0 0 561.634 6.376 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967286 553916131 /nfs/dbraw/zinc/91/61/31/553916131.db2.gz QWQAZSRKYZLJHN-MUUNZHRXSA-N 0 0 600.649 5.823 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967316 553916739 /nfs/dbraw/zinc/91/67/39/553916739.db2.gz CHMVSBHKVCKRGA-ROTAYESASA-N 0 0 612.748 7.597 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967365 553917510 /nfs/dbraw/zinc/91/75/10/553917510.db2.gz OLYIFRFKODBTJX-YRVHBCJASA-N 0 0 600.693 6.599 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967437 553918427 /nfs/dbraw/zinc/91/84/27/553918427.db2.gz MDEUDPYMMFEUJI-ADXZGYQBSA-N 0 0 582.678 6.675 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000097967471 553918825 /nfs/dbraw/zinc/91/88/25/553918825.db2.gz NMQJZRQLTASKJQ-JIYROHSKSA-N 0 0 593.680 5.853 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967475 553918858 /nfs/dbraw/zinc/91/88/58/553918858.db2.gz BHDWKOZIZODLID-WHLCRQNOSA-N 0 0 552.652 6.584 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000097967481 553918894 /nfs/dbraw/zinc/91/88/94/553918894.db2.gz JPOXTEIXQAKOMZ-URAOTHONSA-N 0 0 556.659 6.151 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967514 553919418 /nfs/dbraw/zinc/91/94/18/553919418.db2.gz ZERQKSOSMFROFS-KWMCUTETSA-N 0 0 570.667 6.590 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)ccc1OCCC(C)C ZINC000097967501 553919446 /nfs/dbraw/zinc/91/94/46/553919446.db2.gz AXXGRNXMMXHESC-GDLZYMKVSA-N 0 0 575.662 5.147 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967488 553919467 /nfs/dbraw/zinc/91/94/67/553919467.db2.gz TWOHJPNVIDZPPN-ADSBAMQRSA-N 0 0 614.720 6.989 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967489 553919525 /nfs/dbraw/zinc/91/95/25/553919525.db2.gz TWOHJPNVIDZPPN-HZAQMHFWSA-N 0 0 614.720 6.989 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967494 553919531 /nfs/dbraw/zinc/91/95/31/553919531.db2.gz OZCLRDYLTMVFHI-WRHNGFHOSA-N 0 0 589.113 7.625 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967582 553920606 /nfs/dbraw/zinc/92/06/06/553920606.db2.gz OZZFDJUTXAIBRU-DXPJPUQTSA-N 0 0 559.043 6.621 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967661 553921318 /nfs/dbraw/zinc/92/13/18/553921318.db2.gz XWMIYMVNVLGIBN-JMQGSBJISA-N 0 0 570.667 6.590 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967662 553921414 /nfs/dbraw/zinc/92/14/14/553921414.db2.gz XWMIYMVNVLGIBN-KWMCUTETSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967731 553922299 /nfs/dbraw/zinc/92/22/99/553922299.db2.gz UKTBPZRMHASWBI-DNOBIOAJSA-N 0 0 620.724 6.312 50 30 KKEARN CCCCCCCCc1ccc(OC(=O)c2ccc(-c3ccc(O[C@H](C)CCCCCC)c(F)c3)cc2)cc1 ZINC000033353041 553922902 /nfs/dbraw/zinc/92/29/02/553922902.db2.gz WEJNHTMWRYDDIG-HHHXNRCGSA-N 0 0 532.740 10.353 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(I)cc(I)c1OCc1ccccc1 ZINC000033353175 553923417 /nfs/dbraw/zinc/92/34/17/553923417.db2.gz XKTMUXQLENSFKX-UHFFFAOYSA-N 0 0 708.374 7.875 50 30 KKEARN CCCCCCCC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)CCCCCCC)C1c1ccccc1[N+](=O)[O-] ZINC000033353210 553923852 /nfs/dbraw/zinc/92/38/52/553923852.db2.gz ZDXGUANOBCXFSY-UHFFFAOYSA-N 0 0 544.736 8.821 50 30 KKEARN O=C(Nc1ccc(I)cc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000033353298 553924192 /nfs/dbraw/zinc/92/41/92/553924192.db2.gz GWOIDCAXYTZSAE-QMMMGPOBSA-N 0 0 531.059 5.265 50 30 KKEARN O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000033353303 553924500 /nfs/dbraw/zinc/92/45/00/553924500.db2.gz MJIJMXDBXJPSGQ-UHFFFAOYSA-N 0 0 584.182 6.543 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967874 553924582 /nfs/dbraw/zinc/92/45/82/553924582.db2.gz PJVNFSLGBYOTMJ-LBEKAKSKSA-N 0 0 578.621 7.334 50 30 KKEARN CC(C)(C)C(=O)C=C(NN=c1nc(-c2ccccc2)c2cc(Br)ccc2[nH]1)C(F)(F)C(F)(F)C(F)(F)F ZINC000033353407 553925127 /nfs/dbraw/zinc/92/51/27/553925127.db2.gz DIQZXNCAZZWNLB-XJECJHNESA-N 0 0 593.341 7.665 50 30 KKEARN COc1ccc(/C=N\OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(C)cc2)cc1OC ZINC000097967948 553925409 /nfs/dbraw/zinc/92/54/09/553925409.db2.gz WJQMJIUWURXGNZ-BGIALOBWSA-N 0 0 587.640 5.781 50 30 KKEARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1Cl ZINC000033353482 553925586 /nfs/dbraw/zinc/92/55/86/553925586.db2.gz YCQKIGLRYKUSPG-OCDQFKQQSA-N 0 0 619.139 5.473 50 30 KKEARN CCCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCCCC)cc3)cc2)cc1 ZINC000033353738 553926738 /nfs/dbraw/zinc/92/67/38/553926738.db2.gz SJVDMRDGPZYZFA-UHFFFAOYSA-N 0 0 598.868 11.616 50 30 biogenic KKEARN COc1ccc(/C(C)=N/OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccco2)cc1 ZINC000097968097 553927410 /nfs/dbraw/zinc/92/74/10/553927410.db2.gz WHICVGKEUWUGOU-LYMBNDKLSA-N 0 0 547.575 5.447 50 30 KKEARN C#CCOc1c(I)cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1OC ZINC000033354048 553928136 /nfs/dbraw/zinc/92/81/36/553928136.db2.gz NIIVZFPXHVRKGG-OAHLVZFQSA-N 0 0 546.180 5.333 50 30 KKEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968147 553928375 /nfs/dbraw/zinc/92/83/75/553928375.db2.gz BLXHVPIOJMWWPB-PMERELPUSA-N 0 0 635.767 7.661 50 30 KKEARN COc1ccc([C@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1 ZINC000097968307 553930351 /nfs/dbraw/zinc/93/03/51/553930351.db2.gz XSQGVMIHTZRSMX-PIMODXEOSA-N 0 0 578.032 6.117 50 30 KKEARN O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC(F)(F)Cl)cc2)S1 ZINC000033354622 553930480 /nfs/dbraw/zinc/93/04/80/553930480.db2.gz BWCMBOQCWPCYIR-BQPAJTCCSA-N 0 0 608.892 6.820 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968345 553930716 /nfs/dbraw/zinc/93/07/16/553930716.db2.gz QMZDGQSIGVMSPD-CRYYWNKWSA-N 0 0 554.624 5.976 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000033354707 553930895 /nfs/dbraw/zinc/93/08/95/553930895.db2.gz CJVQAHSAWKYOOD-HEIROHQZSA-N 0 0 553.033 7.702 50 30 KKEARN O=C(/C=C\c1cc2c(cc1Br)OCO2)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000033354810 553931515 /nfs/dbraw/zinc/93/15/15/553931515.db2.gz BPTGZQWUUXAFGU-TWGQIWQCSA-N 0 0 553.206 6.345 50 30 KKEARN N#Cc1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nsc1SCC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000033354917 553932154 /nfs/dbraw/zinc/93/21/54/553932154.db2.gz YKUCKLPTLGMPMT-UHFFFAOYSA-N 0 0 641.477 6.812 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033354984 553932588 /nfs/dbraw/zinc/93/25/88/553932588.db2.gz AERKSHSLNAQWEZ-ZRJLEYOISA-N 0 0 599.615 5.261 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000033354994 553932693 /nfs/dbraw/zinc/93/26/93/553932693.db2.gz MCGHFCKDROLGQY-SKBVVQJISA-N 0 0 641.042 6.114 50 30 KKEARN C[C@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000033355065 553932840 /nfs/dbraw/zinc/93/28/40/553932840.db2.gz IZKIPUUIRXLGQR-GDYKHXCGSA-N 0 0 610.109 8.671 50 30 KKEARN COc1ccc(-c2oc3ncn4nc(CO/N=C(\C)c5ccc(OC)c(OC)c5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000097968552 553933166 /nfs/dbraw/zinc/93/31/66/553933166.db2.gz FNGUDGKZSBZOKH-ODNPBWNPSA-N 0 0 579.613 6.180 50 30 KKEARN CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000097968517 553933190 /nfs/dbraw/zinc/93/31/90/553933190.db2.gz UPYBGBGEMYXYGK-BIXQXLNPSA-N 0 0 614.900 10.377 50 30 KKEARN C/C(=N\OCc1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1)c1ccc(C)cc1 ZINC000097968551 553933311 /nfs/dbraw/zinc/93/33/11/553933311.db2.gz YJAKQCURSDTQIP-RQXXSLPSSA-N 0 0 552.638 7.304 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)C3[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000033355183 553933489 /nfs/dbraw/zinc/93/34/89/553933489.db2.gz SHBHLLGDUVTMBM-GJRHBRKLSA-N 0 0 668.718 7.092 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(c3ccccc3)c3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968604 553933815 /nfs/dbraw/zinc/93/38/15/553933815.db2.gz AKZUMSKYTZNHCH-KFWXRUQJSA-N 0 0 584.141 7.879 50 30 KKEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2Cl)c(=O)n1-c1ccccc1 ZINC000097968710 553934014 /nfs/dbraw/zinc/93/40/14/553934014.db2.gz MZEAHSPDAZMHIS-BANORVKISA-N 0 0 522.413 5.006 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000097968785 553934314 /nfs/dbraw/zinc/93/43/14/553934314.db2.gz ULWYYPBIFOCBNK-SSEXGKCCSA-N 0 0 540.660 5.183 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SCC[S@@](=O)Cc1ccc(Cl)cc1 ZINC000033355414 553934674 /nfs/dbraw/zinc/93/46/74/553934674.db2.gz HQUHNCKXJYEHQD-UMSFTDKQSA-N 0 0 567.961 7.744 50 30 KKEARN N#Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1SC[C@@H](O)C[S@](=O)Cc1ccc(Cl)cc1 ZINC000033355431 553934776 /nfs/dbraw/zinc/93/47/76/553934776.db2.gz DPKRAOABIRAAFO-PNBVQZGLSA-N 0 0 597.987 7.105 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CNc3c(F)c(F)c(F)c(F)c3F)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000097968916 553934914 /nfs/dbraw/zinc/93/49/14/553934914.db2.gz WVCFHXQKOOIVEG-NXEJPNRGSA-N 0 0 584.954 6.074 50 30 KKEARN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033355462 553935019 /nfs/dbraw/zinc/93/50/19/553935019.db2.gz OFRHQKVIPXBIKR-UUYOSTAYSA-N 0 0 535.467 5.762 50 30 KKEARN CCOc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)n(-c2ccccc2)c1=O ZINC000097968955 553935147 /nfs/dbraw/zinc/93/51/47/553935147.db2.gz UMJQPFADUVTCIF-VEXHCRHESA-N 0 0 570.885 6.049 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 ZINC000097969116 553936497 /nfs/dbraw/zinc/93/64/97/553936497.db2.gz KTFSYDFGTNASHI-LJAQVGFWSA-N 0 0 595.523 6.181 50 30 KKEARN COCc1cc(C)nc(OCC2=NN(C(C)=O)[C@H](c3ccc(OCc4ccc(Cl)cc4Cl)cc3)O2)c1C#N ZINC000033355808 553937340 /nfs/dbraw/zinc/93/73/40/553937340.db2.gz FUTZHHWPBJCVTD-MHZLTWQESA-N 0 0 555.418 5.564 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969178 553937557 /nfs/dbraw/zinc/93/75/57/553937557.db2.gz DZOSDCCNZQUXFW-HFJWLAOPSA-N 0 0 590.698 6.159 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969205 553937759 /nfs/dbraw/zinc/93/77/59/553937759.db2.gz ZWQVZTWMCZGSOH-GEFUHLBYSA-N 0 0 628.747 7.379 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969204 553937866 /nfs/dbraw/zinc/93/78/66/553937866.db2.gz ZWQVZTWMCZGSOH-PKHCJMHPSA-N 0 0 628.747 7.379 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097969232 553938431 /nfs/dbraw/zinc/93/84/31/553938431.db2.gz XTZWOAGXJMDBTK-MUUNZHRXSA-N 0 0 552.587 5.347 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969253 553938686 /nfs/dbraw/zinc/93/86/86/553938686.db2.gz MPICMOCLCBGXDP-KWMCUTETSA-N 0 0 570.667 6.590 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969287 553939452 /nfs/dbraw/zinc/93/94/52/553939452.db2.gz MNXPBQDYQVEYAB-HHHXNRCGSA-N 0 0 572.639 6.038 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969346 553940078 /nfs/dbraw/zinc/94/00/78/553940078.db2.gz DNFMFETXZLXHDJ-GDJIYFAZSA-N 0 0 554.668 6.808 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000097969353 553940238 /nfs/dbraw/zinc/94/02/38/553940238.db2.gz NUKNNXZQBCGWFU-NDEPHWFRSA-N 0 0 552.587 5.347 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097969394 553940319 /nfs/dbraw/zinc/94/03/19/553940319.db2.gz NXKOVFJGOJPYMD-UDNBHOFDSA-N 0 0 569.698 6.655 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000097969398 553940410 /nfs/dbraw/zinc/94/04/10/553940410.db2.gz UVLYFTZLNPPWIJ-VHXWCBOVSA-N 0 0 589.817 9.163 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000097969397 553940452 /nfs/dbraw/zinc/94/04/52/553940452.db2.gz UVLYFTZLNPPWIJ-WEONBDOCSA-N 0 0 589.817 9.163 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969378 553940485 /nfs/dbraw/zinc/94/04/85/553940485.db2.gz GPTABEQZTVNQGT-UPCLLVRISA-N 0 0 562.644 5.523 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000097969478 553941465 /nfs/dbraw/zinc/94/14/65/553941465.db2.gz XVHVKGRURQRCPP-YTTGMZPUSA-N 0 0 642.675 9.526 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)cc1 ZINC000097969501 553941574 /nfs/dbraw/zinc/94/15/74/553941574.db2.gz CEQQSJHFERKWOX-LJAQVGFWSA-N 0 0 561.078 5.528 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097969537 553942277 /nfs/dbraw/zinc/94/22/77/553942277.db2.gz VGZMDPAGXGHGCR-AREMUKBSSA-N 0 0 561.506 5.637 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969597 553942480 /nfs/dbraw/zinc/94/24/80/553942480.db2.gz GOOTUXARKNMTAR-NSYGIPOTSA-N 0 0 572.639 5.465 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969583 553942600 /nfs/dbraw/zinc/94/26/00/553942600.db2.gz AGOLMAVKNGWXDL-HHHXNRCGSA-N 0 0 556.640 6.338 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097969573 553942667 /nfs/dbraw/zinc/94/26/67/553942667.db2.gz KIZXGUVWZCHUBG-GDLZYMKVSA-N 0 0 558.631 5.599 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969584 553942673 /nfs/dbraw/zinc/94/26/73/553942673.db2.gz AGOLMAVKNGWXDL-MHZLTWQESA-N 0 0 556.640 6.338 50 30 KKEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969629 553942936 /nfs/dbraw/zinc/94/29/36/553942936.db2.gz VNOLUFFCOHFMTP-WRONEBCDSA-N 0 0 568.695 7.280 50 30 KKEARN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000097969653 553943373 /nfs/dbraw/zinc/94/33/73/553943373.db2.gz OGLJDNDMUQCUSM-KVSWJAHQSA-N 0 0 532.836 7.444 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969659 553943517 /nfs/dbraw/zinc/94/35/17/553943517.db2.gz SKXFWEJXRCDMKE-MYUZEXMDSA-N 0 0 620.724 6.168 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969656 553943528 /nfs/dbraw/zinc/94/35/28/553943528.db2.gz PFNATTCVDSWBML-PRAQEBQASA-N 0 0 596.705 6.983 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969655 553943534 /nfs/dbraw/zinc/94/35/34/553943534.db2.gz PFNATTCVDSWBML-WRGVRERRSA-N 0 0 596.705 6.983 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969767 553944619 /nfs/dbraw/zinc/94/46/19/553944619.db2.gz OLPMHUOXIYCYMM-WWOZWPLTSA-N 0 0 590.657 7.204 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969785 553945037 /nfs/dbraw/zinc/94/50/37/553945037.db2.gz QBRQTJXJXWANIU-HUBRWUETSA-N 0 0 646.765 7.997 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969813 553945445 /nfs/dbraw/zinc/94/54/45/553945445.db2.gz XOHKPPDYFSDTPN-WENCNXQZSA-N 0 0 598.721 7.207 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969837 553945665 /nfs/dbraw/zinc/94/56/65/553945665.db2.gz CKWHABROIRLQIV-QUGAMOGWSA-N 0 0 604.681 5.698 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000097969869 553946391 /nfs/dbraw/zinc/94/63/91/553946391.db2.gz NPFCICMACHFHJY-WJOKGBTCSA-N 0 0 552.199 9.708 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000097969900 553946975 /nfs/dbraw/zinc/94/69/75/553946975.db2.gz UKBVFTINNSXZCI-WJOKGBTCSA-N 0 0 562.751 8.963 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969945 553947258 /nfs/dbraw/zinc/94/72/58/553947258.db2.gz GYCCKGAWHAJPDB-YHAMSUFESA-N 0 0 570.623 5.588 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970100 553949627 /nfs/dbraw/zinc/94/96/27/553949627.db2.gz FVHNFIAVIYRGIR-PMERELPUSA-N 0 0 614.720 7.045 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970139 553950039 /nfs/dbraw/zinc/95/00/39/553950039.db2.gz PJJNQLWZNIOHEE-HHHXNRCGSA-N 0 0 570.623 5.814 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970157 553950438 /nfs/dbraw/zinc/95/04/38/553950438.db2.gz IMYGHNOCBHLWCD-QMTYFTJSSA-N 0 0 576.671 5.948 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097970171 553950508 /nfs/dbraw/zinc/95/05/08/553950508.db2.gz ZOUKDWXFTLEJEM-WRONEBCDSA-N 0 0 568.695 7.198 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccs2)cc1 ZINC000033357738 553950709 /nfs/dbraw/zinc/95/07/09/553950709.db2.gz FIHHWRFCBVPIIH-SLQAJWMNSA-N 0 0 530.646 5.774 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970268 553951527 /nfs/dbraw/zinc/95/15/27/553951527.db2.gz SWPMDHAPUGPLSN-KCEHZKJRSA-N 0 0 626.775 7.843 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970342 553952907 /nfs/dbraw/zinc/95/29/07/553952907.db2.gz YGFVAOPRVQZHCY-SOKVYYICSA-N 0 0 554.668 6.709 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000097970396 553953231 /nfs/dbraw/zinc/95/32/31/553953231.db2.gz VOAKPGBMCMJGTG-SSEXGKCCSA-N 0 0 557.643 5.712 50 30 KKEARN O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)CCC/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000033358245 553953995 /nfs/dbraw/zinc/95/39/95/553953995.db2.gz YFMURRAGSQRZGK-YXLFCKQPSA-N 0 0 544.261 10.040 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000097970462 553954597 /nfs/dbraw/zinc/95/45/97/553954597.db2.gz BRPKTQXYDFBSKG-SMSORMJASA-N 0 0 573.690 5.843 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970559 553956030 /nfs/dbraw/zinc/95/60/30/553956030.db2.gz IYRVJJSGINNTQC-KEEVHDRGSA-N 0 0 598.721 7.145 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970578 553956057 /nfs/dbraw/zinc/95/60/57/553956057.db2.gz QULRYCOPLJCSQP-ADSBAMQRSA-N 0 0 612.704 6.765 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970601 553956250 /nfs/dbraw/zinc/95/62/50/553956250.db2.gz LQEAFIDGTJGIRF-HZAQMHFWSA-N 0 0 614.720 6.989 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970627 553956689 /nfs/dbraw/zinc/95/66/89/553956689.db2.gz DUOMMFJASQHQCP-JCOAXYOVSA-N 0 0 666.752 6.878 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970657 553957203 /nfs/dbraw/zinc/95/72/03/553957203.db2.gz ZGJSBRDOXJCQBQ-MUUNZHRXSA-N 0 0 610.732 7.206 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000033358648 553957403 /nfs/dbraw/zinc/95/74/03/553957403.db2.gz MPYGWWMZMKOMGE-ITYLOYPMSA-N 0 0 566.542 7.037 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)ccc1OCCC(C)C ZINC000097970730 553957949 /nfs/dbraw/zinc/95/79/49/553957949.db2.gz SOYMKGATFRQZAA-URAOTHONSA-N 0 0 556.659 6.007 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970723 553957983 /nfs/dbraw/zinc/95/79/83/553957983.db2.gz JUJMHJHOPKWVAU-GEFUHLBYSA-N 0 0 628.747 7.379 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970753 553958265 /nfs/dbraw/zinc/95/82/65/553958265.db2.gz WFUINECHQVUGTF-SSEXGKCCSA-N 0 0 590.657 7.260 50 30 KKEARN COc1ccc(N2C(=S)N(C(=O)Oc3ccccc3)/C(=N/c3c(C)cccc3C)C23CCCCC3)cc1 ZINC000033405087 553958992 /nfs/dbraw/zinc/95/89/92/553958992.db2.gz MBJWIUDFPMQDRN-TVKQRKNISA-N 0 0 513.663 7.351 50 30 KKEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2Sc2ccccc2)n1 ZINC000097970902 553959245 /nfs/dbraw/zinc/95/92/45/553959245.db2.gz JNOGXSPECKBLIQ-UHFFFAOYSA-N 0 0 537.476 7.664 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000097970946 553959584 /nfs/dbraw/zinc/95/95/84/553959584.db2.gz VBBYEDRFOMDYGO-DFXYEROKSA-N 0 0 556.659 6.151 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000097970920 553959648 /nfs/dbraw/zinc/95/96/48/553959648.db2.gz WBRYZUKEBRXREE-GDLZYMKVSA-N 0 0 595.523 6.181 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000097970959 553959920 /nfs/dbraw/zinc/95/99/20/553959920.db2.gz MXPAMLPHAJMDDF-WKRVVKTRSA-N 0 0 555.671 6.409 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1OCCC(C)C ZINC000097970976 553959964 /nfs/dbraw/zinc/95/99/64/553959964.db2.gz NTSJVBIVAZSVGP-FWUCURJTSA-N 0 0 592.733 5.134 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000097971019 553960630 /nfs/dbraw/zinc/96/06/30/553960630.db2.gz YGUQMPGYUPUWJU-YTTGMZPUSA-N 0 0 582.741 6.172 50 30 KKEARN CNc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C/c3ccc(NC)c([N+](=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000033481138 553961056 /nfs/dbraw/zinc/96/10/56/553961056.db2.gz XOXCCZMMPCFOAD-SEKXJNOLSA-N 0 0 513.554 5.138 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000097971850 553963150 /nfs/dbraw/zinc/96/31/50/553963150.db2.gz CVPGLMXPMJIZIW-POURPWNDSA-N 0 0 511.618 7.064 50 30 biogenic KKEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000033648032 553965934 /nfs/dbraw/zinc/96/59/34/553965934.db2.gz FRECPZYMNWFZPK-HZVMBZBSSA-N 0 0 524.617 7.218 50 30 KKEARN Cc1c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000097979079 553976172 /nfs/dbraw/zinc/97/61/72/553976172.db2.gz QLMNOMGYKZGGMF-UUYOSTAYSA-N 0 0 556.631 7.389 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1Cl ZINC000033930621 553977041 /nfs/dbraw/zinc/97/70/41/553977041.db2.gz CXNQCSKAVCVGDQ-OIXWISFJSA-N 0 0 510.030 6.061 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OC(C)C ZINC000033930662 553977094 /nfs/dbraw/zinc/97/70/94/553977094.db2.gz CQDCUECLKPTFHI-LZBSYVEOSA-N 0 0 533.665 6.194 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000033930656 553977134 /nfs/dbraw/zinc/97/71/34/553977134.db2.gz AELFOMNPMYSOTC-TUQAPMAVSA-N 0 0 521.679 6.129 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000033930704 553977412 /nfs/dbraw/zinc/97/74/12/553977412.db2.gz XDGRXALBRZJGSD-BJFGDUBASA-N 0 0 510.030 6.061 50 30 KKEARN CC(C)c1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000097979482 553979736 /nfs/dbraw/zinc/97/97/36/553979736.db2.gz NGAOAGAQAFYNFX-UHFFFAOYSA-N 0 0 603.770 5.491 50 30 KKEARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979481 553979781 /nfs/dbraw/zinc/97/97/81/553979781.db2.gz CUYSYVBRAPSWKU-UHFFFAOYSA-N 0 0 578.716 5.112 50 30 KKEARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979547 553980274 /nfs/dbraw/zinc/98/02/74/553980274.db2.gz GOCDAROYPOIJHV-UHFFFAOYSA-N 0 0 596.134 5.021 50 30 KKEARN CCN(Cc1ccccc1)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(N(CC)Cc4ccccc4)cc3)C2=O)cc1 ZINC000097981388 553993526 /nfs/dbraw/zinc/99/35/26/553993526.db2.gz GEJVUZWREOEQHF-DNHJVCTKSA-N 0 0 555.766 7.721 50 30 KKEARN CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)cc2)CC1 ZINC000097981633 553996028 /nfs/dbraw/zinc/99/60/28/553996028.db2.gz QDCSTQXNWVMEBB-BJMVGYQFSA-N 0 0 559.438 5.934 50 30 KKEARN C=CCn1c(S[C@@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000097982303 554000870 /nfs/dbraw/zinc/00/08/70/554000870.db2.gz GEYJEIZTFSZHNH-WJOKGBTCSA-N 0 0 677.873 8.997 50 30 KKEARN CN1C/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000097982316 554001235 /nfs/dbraw/zinc/00/12/35/554001235.db2.gz BYGQFCFXFQLNGU-SZNZDIFOSA-N 0 0 585.758 7.497 50 30 KKEARN COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000097982610 554004007 /nfs/dbraw/zinc/00/40/07/554004007.db2.gz QZRAMDUOQZJUGL-XMMPIXPASA-N 0 0 555.557 5.290 50 30 KKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000097982670 554004711 /nfs/dbraw/zinc/00/47/11/554004711.db2.gz ODSDENUQYQBWAT-UHFFFAOYSA-N 0 0 537.856 5.173 50 30 KKEARN O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccc(Cl)c(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 ZINC000097982989 554006973 /nfs/dbraw/zinc/00/69/73/554006973.db2.gz ZDEBPHSKMLQMPL-UHFFFAOYSA-N 0 0 700.797 6.093 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl ZINC000097983025 554007251 /nfs/dbraw/zinc/00/72/51/554007251.db2.gz YGFJZABZRTUSQV-SANMLTNESA-N 0 0 579.122 9.355 50 30 KKEARN CCCCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000097983036 554007260 /nfs/dbraw/zinc/00/72/60/554007260.db2.gz YKWCVMVOILWUHR-VWLOTQADSA-N 0 0 599.540 9.700 50 30 KKEARN O=C(Oc1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(OC(=O)c5ccccc5)cc4)c(F)c3F)c(F)c2F)cc1)c1ccccc1 ZINC000097983106 554007442 /nfs/dbraw/zinc/00/74/42/554007442.db2.gz STTYTQODWFCSJV-UHFFFAOYSA-N 0 0 722.540 10.489 50 30 KKEARN CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000097983782 554011664 /nfs/dbraw/zinc/01/16/64/554011664.db2.gz GXVVPCZEHDFSLO-UHFFFAOYSA-N 0 0 578.653 7.263 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000097983778 554011690 /nfs/dbraw/zinc/01/16/90/554011690.db2.gz OVLRWZCVLSHIAM-HNNXBMFYSA-N 0 0 547.587 5.991 50 30 KKEARN CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000034864674 554022066 /nfs/dbraw/zinc/02/20/66/554022066.db2.gz VAEZLCHCFUMAGF-CZMYDKJZSA-N 0 0 500.595 6.167 50 30 KKEARN CCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc21 ZINC000097985246 554022207 /nfs/dbraw/zinc/02/22/07/554022207.db2.gz MFBCAYPMDGYBQP-UHFFFAOYSA-N 0 0 523.651 7.221 50 30 KKEARN Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1NC1=N[C@H]2CS(=O)(=O)C[C@H]2S1 ZINC000097986936 554026319 /nfs/dbraw/zinc/02/63/19/554026319.db2.gz UICVZYSBVZJTQM-XZOQPEGZSA-N 0 0 528.055 5.183 50 30 KKEARN O=C(Oc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(OC(=O)c5ccccc5)c4)c(F)c3F)c(F)c2F)c1)c1ccccc1 ZINC000097994398 554031485 /nfs/dbraw/zinc/03/14/85/554031485.db2.gz SYAKQPIQFFDLDT-UHFFFAOYSA-N 0 0 722.540 10.489 50 30 KKEARN O=C(c1cc(C#Cc2ccccc2)cc2cc(-c3ccccc3)oc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097996947 554038894 /nfs/dbraw/zinc/03/88/94/554038894.db2.gz PWUBFGBLWNZSLE-UHFFFAOYSA-N 0 0 527.580 6.370 50 30 KKEARN CCCCCCCCc1ccc(Sc2cccc3c2C(=O)c2cccc(Sc4ccc(CCCCCCCC)cc4)c2C3=O)cc1 ZINC000097996986 554039314 /nfs/dbraw/zinc/03/93/14/554039314.db2.gz FXGHHHAGSCOLKV-UHFFFAOYSA-N 0 0 648.978 12.570 50 30 KKEARN COc1ccc(C2=NN(c3ccc(/C=N/n4cnc5scc(-c6ccc(Cl)cc6)c5c4=O)cc3)CC2)cc1 ZINC000097997111 554039820 /nfs/dbraw/zinc/03/98/20/554039820.db2.gz ZHLGACPIFAVUQS-KPGMTVGESA-N 0 0 540.048 6.284 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4cc(OC)c(OC)c(OC)c4)C(=O)O3)cc2)cc1 ZINC000097998400 554041098 /nfs/dbraw/zinc/04/10/98/554041098.db2.gz VXGCDIPMFCMYJN-VFCFBJKWSA-N 0 0 527.661 7.627 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000035212716 554041604 /nfs/dbraw/zinc/04/16/04/554041604.db2.gz OEKRHKGWHAHTAI-UQQQWYQISA-N 0 0 519.022 5.305 50 30 KKEARN C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OCCCCCCCC)cc2)cc1 ZINC000097999600 554044309 /nfs/dbraw/zinc/04/43/09/554044309.db2.gz IYZXXIQVENCVLB-WEZIJMHWSA-N 0 0 589.574 8.996 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 ZINC000097999593 554044422 /nfs/dbraw/zinc/04/44/22/554044422.db2.gz QKPSIHQVIDSTBG-XDFJSJKPSA-N 0 0 577.563 8.829 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Br)cc3)N4)sc2C1 ZINC000097999701 554045381 /nfs/dbraw/zinc/04/53/81/554045381.db2.gz OZWWIMMXYQWFBR-YIFZBPKDSA-N 0 0 606.512 7.642 50 30 KKEARN CSCC[C@@H](C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)N1C(=O)c2ccccc2C1=O ZINC000097999837 554046173 /nfs/dbraw/zinc/04/61/73/554046173.db2.gz CUEGMTUSKYVMHM-LJAQVGFWSA-N 0 0 600.700 6.691 50 30 KKEARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000097999810 554046194 /nfs/dbraw/zinc/04/61/94/554046194.db2.gz PJFQQNJBNZRYTK-ZSQPVGNWSA-N 0 0 623.149 8.247 50 30 KKEARN CCCCCCCCCn1cc(OC(=O)c2ccc(OC)cc2)c2c3nc4ccccc4n3c(-c3ccc(OC)cc3)nc21 ZINC000098000274 554049837 /nfs/dbraw/zinc/04/98/37/554049837.db2.gz PWJFVYQRKNQHDD-UHFFFAOYSA-N 0 0 590.724 8.491 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000098000285 554049852 /nfs/dbraw/zinc/04/98/52/554049852.db2.gz HAMHICGBAONEIL-NBLPZQPVSA-N 0 0 570.686 6.668 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CC(C)C)[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000098000284 554049906 /nfs/dbraw/zinc/04/99/06/554049906.db2.gz HAMHICGBAONEIL-KATKFWMUSA-N 0 0 570.686 6.668 50 30 KKEARN COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000098000313 554050285 /nfs/dbraw/zinc/05/02/85/554050285.db2.gz KFHIYXQKPYEBNI-GUZYMRFCSA-N 0 0 556.662 6.925 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc4)n3)cc2)cc1 ZINC000098000409 554050876 /nfs/dbraw/zinc/05/08/76/554050876.db2.gz IWUUHBFFLMNEDD-UHFFFAOYSA-N 0 0 678.586 11.534 50 30 KKEARN COc1ccc(Nc2nc(N=NCc3cc4c(cc3Br)OCO4)nc(Nc3ccccc3)n2)cc1 ZINC000098001379 554052226 /nfs/dbraw/zinc/05/22/26/554052226.db2.gz PVIJYICEINWOKF-LGJNPRDNSA-N 0 0 534.374 5.305 50 30 KKEARN Cc1ccccc1NC(=O)c1ccc(NC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001254 554052314 /nfs/dbraw/zinc/05/23/14/554052314.db2.gz RJUNSIHIANWWSX-INIZCTEOSA-N 0 0 538.313 6.221 50 30 KKEARN CCCCCCCOc1ccccc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)N1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000098001618 554052813 /nfs/dbraw/zinc/05/28/13/554052813.db2.gz AZOZFSBYRDVUBM-MCFAHLPMSA-N 0 0 684.815 6.740 50 30 KKEARN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000098001581 554052882 /nfs/dbraw/zinc/05/28/82/554052882.db2.gz VJAAVIWBHSOQRC-HXUWFJFHSA-N 0 0 602.485 7.921 50 30 KKEARN C[C@]1(N=C(C(=O)c2ccccc2)C(=O)c2ccccc2)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098001743 554053109 /nfs/dbraw/zinc/05/31/09/554053109.db2.gz BASHIZYUNGPHGV-GDYKHXCGSA-N 0 0 620.661 7.926 50 30 KKEARN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(SCC(=O)NCc5ccccc5)cc4)sc3c2)cc1 ZINC000098002593 554053743 /nfs/dbraw/zinc/05/37/43/554053743.db2.gz CHUZIGDQZXOQCH-UHFFFAOYSA-N 0 0 712.019 10.769 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000098003640 554055664 /nfs/dbraw/zinc/05/56/64/554055664.db2.gz HFWGGMFQMKEJNU-XKWLHOGNSA-N 0 0 604.703 7.244 50 30 KKEARN CCCCCC(=O)Oc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCCCC)c1 ZINC000098003663 554055673 /nfs/dbraw/zinc/05/56/73/554055673.db2.gz ZHVBDCYYEBXFPA-ZTUXGFDNSA-N 0 0 613.198 9.307 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2ccccc2Cl)cc1 ZINC000098003642 554055695 /nfs/dbraw/zinc/05/56/95/554055695.db2.gz XAVGEGVDXFOCSG-JXNPFXPLSA-N 0 0 625.121 7.589 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(=O)C3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003647 554055729 /nfs/dbraw/zinc/05/57/29/554055729.db2.gz JHUWBRMIAWMIAU-DHYKOVJISA-N 0 0 613.085 7.719 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(=O)C3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000098003649 554055798 /nfs/dbraw/zinc/05/57/98/554055798.db2.gz JHUWBRMIAWMIAU-ULKXQASOSA-N 0 0 613.085 7.719 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Br)cc1 ZINC000098005256 554057989 /nfs/dbraw/zinc/05/79/89/554057989.db2.gz NISYVLCKNTUMJD-WJOKGBTCSA-N 0 0 582.494 8.140 50 30 KKEARN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000098005259 554058023 /nfs/dbraw/zinc/05/80/23/554058023.db2.gz DKNXMFSDQDEOII-HKBQPEDESA-N 0 0 572.488 8.684 50 30 KKEARN CCCCCCCCCOC(=O)CNc1nc(Cl)nc(NCC(=O)OCCCCCCCCC)n1 ZINC000098005877 554059279 /nfs/dbraw/zinc/05/92/79/554059279.db2.gz RKJPCHOFSNXCPD-UHFFFAOYSA-N 0 0 514.111 5.936 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccccc1OC)CCCC2 ZINC000098006098 554060436 /nfs/dbraw/zinc/06/04/36/554060436.db2.gz VOKKPKOKGMDAET-XMMPIXPASA-N 0 0 534.678 5.665 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)cc4)C3)[C@H]1c1ccccc1)CCCC2 ZINC000098006173 554060880 /nfs/dbraw/zinc/06/08/80/554060880.db2.gz LFLVAYACCIXUOT-ZTOMLWHTSA-N 0 0 582.722 6.422 50 30 KKEARN COC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccc(SC)cc1)CCCC2 ZINC000098006171 554060882 /nfs/dbraw/zinc/06/08/82/554060882.db2.gz ZFWICVJLUXXQCJ-DEOSSOPVSA-N 0 0 550.746 6.378 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@@H]2c1ccccc1Cl ZINC000098006277 554061107 /nfs/dbraw/zinc/06/11/07/554061107.db2.gz VSPNXDNFZUPSHE-GOSISDBHSA-N 0 0 578.081 7.666 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000098006279 554061146 /nfs/dbraw/zinc/06/11/46/554061146.db2.gz DYERUMMJJAHZNI-LJQANCHMSA-N 0 0 588.633 6.921 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3cccc(C(F)(F)F)c3)s1)C(=O)C[C@H]2c1ccccc1 ZINC000098006280 554061166 /nfs/dbraw/zinc/06/11/66/554061166.db2.gz NLOKUQHRKOUVFQ-IBGZPJMESA-N 0 0 543.636 7.013 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1nnc(SCc3ccccc3Cl)s1)C(=O)C[C@@H]2c1ccccc1Cl ZINC000098006310 554061172 /nfs/dbraw/zinc/06/11/72/554061172.db2.gz JRLYMXMYJSLQJO-QGZVFWFLSA-N 0 0 544.529 7.301 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccccc1F)CCCC2 ZINC000098006361 554061637 /nfs/dbraw/zinc/06/16/37/554061637.db2.gz FGTAMOYXIIVQTI-DEOSSOPVSA-N 0 0 536.669 6.185 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(=O)C1=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000098006359 554061744 /nfs/dbraw/zinc/06/17/44/554061744.db2.gz GAAIGWVTDUSOJG-DEOSSOPVSA-N 0 0 536.669 6.185 50 30 KKEARN COc1ccc(-c2csc(-c3c(O)cn(N=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c3N)n2)cc1 ZINC000035686400 554063204 /nfs/dbraw/zinc/06/32/04/554063204.db2.gz UURFZURRNZHBFO-XAZZYMPDSA-N 0 0 518.683 5.665 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1cccc(C(F)(F)F)c1)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000098007873 554064811 /nfs/dbraw/zinc/06/48/11/554064811.db2.gz BAGMIDNHTXPJLG-UZINWLIJSA-N 0 0 584.572 6.386 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(c1cccc3ccccc31)c1nc(N)c(C#N)c(N)c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000098008029 554065698 /nfs/dbraw/zinc/06/56/98/554065698.db2.gz CCIIBJNRSSJCOO-RUZDIDTESA-N 0 0 530.588 6.106 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccc(C(F)(F)F)cc1)C(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000098008112 554066353 /nfs/dbraw/zinc/06/63/53/554066353.db2.gz PWQPUCYSRZKYQY-OSOCVKALSA-N 0 0 583.584 6.206 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1C(F)(F)F)C(=O)C[C@H]2c1cccc(OC)c1 ZINC000098008144 554066648 /nfs/dbraw/zinc/06/66/48/554066648.db2.gz ZAJWTCVYOYMZJC-VKIDHGPPSA-N 0 0 569.601 6.486 50 30 KKEARN N#Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccccc4C3)c(C(=O)NCCc3ccccc3)c2)c1 ZINC000035723027 554067395 /nfs/dbraw/zinc/06/73/95/554067395.db2.gz LOTRIMUWFDYAMI-UHFFFAOYSA-N 0 0 515.617 5.737 50 30 KKEARN Cc1sc([C@H]2C(C(=O)Nc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1CSc1nc2ccccc2s1 ZINC000098008404 554067516 /nfs/dbraw/zinc/06/75/16/554067516.db2.gz JHINIGKCBTXXLQ-NDEPHWFRSA-N 0 0 557.766 7.565 50 30 KKEARN N#Cc1ccc(NC(=O)N2CCN(c3nc(Cc4ccccc4)nc4sc5c(c43)CCCC5)CC2)cc1 ZINC000035867138 554084407 /nfs/dbraw/zinc/08/44/07/554084407.db2.gz IVKHETSCWSUYFJ-UHFFFAOYSA-N 0 0 508.651 5.387 50 30 KKEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2Cc1c(F)cccc1F ZINC000035927860 554101499 /nfs/dbraw/zinc/10/14/99/554101499.db2.gz TUBMSPZGAHRUHT-UHFFFAOYSA-N 0 0 501.577 5.491 50 30 KKEARN CCCCCCCCC(=O)N(CCCC)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000098016953 554105039 /nfs/dbraw/zinc/10/50/39/554105039.db2.gz DEZGVVYVCNGUIC-UHFFFAOYSA-N 0 0 506.666 6.996 50 30 KKEARN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000098017643 554109421 /nfs/dbraw/zinc/10/94/21/554109421.db2.gz WBEROBZIJUQSNK-UHFFFAOYSA-N 0 0 607.570 7.468 50 30 KKEARN CCCCCCCC(=O)N(CCCC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1 ZINC000098019800 554114626 /nfs/dbraw/zinc/11/46/26/554114626.db2.gz WQGUQWZWDJKXIK-UHFFFAOYSA-N 0 0 530.775 6.634 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000035973751 554114840 /nfs/dbraw/zinc/11/48/40/554114840.db2.gz VWJNVABPOKXZTD-AZVSZNIFSA-N 0 0 505.611 5.416 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035973775 554114856 /nfs/dbraw/zinc/11/48/56/554114856.db2.gz UOTNZHGSFWZXOM-JISLCMDKSA-N 0 0 505.611 5.416 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1cccc(Cl)c1 ZINC000098019947 554115670 /nfs/dbraw/zinc/11/56/70/554115670.db2.gz WYMPXGWSXVRSSX-UHFFFAOYSA-N 0 0 530.024 6.004 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000098019952 554115672 /nfs/dbraw/zinc/11/56/72/554115672.db2.gz NDRAJMBSYWLYGA-UHFFFAOYSA-N 0 0 540.635 6.087 50 30 KKEARN CCCCCCCCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000098019962 554115680 /nfs/dbraw/zinc/11/56/80/554115680.db2.gz BPTACCUVPZYGAU-UHFFFAOYSA-N 0 0 580.741 6.857 50 30 KKEARN CCCCCCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCCCCCC)c(C)nc1C ZINC000098023043 554120295 /nfs/dbraw/zinc/12/02/95/554120295.db2.gz QVCJHHKVRSSUBA-UHFFFAOYSA-N 0 0 531.822 9.854 50 30 KKEARN CC(C)(C)c1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098042703 554121447 /nfs/dbraw/zinc/12/14/47/554121447.db2.gz CMFKIEJWHRJNTF-MHZLTWQESA-N 0 0 550.980 6.498 50 30 KKEARN CCCCCCCCCCCc1nc2ccc(-c3ccc4nc(CCCCCCCCCCC)oc(=O)c4c3)cc2c(=O)o1 ZINC000098043307 554126442 /nfs/dbraw/zinc/12/64/42/554126442.db2.gz WAKADERSOFACAU-UHFFFAOYSA-N 0 0 600.844 10.503 50 30 KKEARN C=CCc1cccc([C@H]2Nc3ccc(I)cc3C(=O)N2NC(=O)c2ccccc2I)c1O ZINC000098043767 554128588 /nfs/dbraw/zinc/12/85/88/554128588.db2.gz ISIBFXMHQPOLQW-QFIPXVFZSA-N 0 0 651.242 5.241 50 30 KKEARN CCCCCC(=O)N1c2ccc(Cl)cc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000098045017 554130293 /nfs/dbraw/zinc/13/02/93/554130293.db2.gz YLSLKFWINHAIGF-PBUKZNKTSA-N 0 0 589.607 9.772 50 30 KKEARN CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(CCCCCCC)cc4)c4c3C(=O)c3ccccc3C4=O)cc2)cc1 ZINC000098045093 554130648 /nfs/dbraw/zinc/13/06/48/554130648.db2.gz WYPGPJQLFIPLOH-UHFFFAOYSA-N 0 0 705.939 12.590 50 30 KKEARN COc1cc(C(=O)N2c3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000098045242 554131286 /nfs/dbraw/zinc/13/12/86/554131286.db2.gz MVQGIUXJCBTBCJ-WOPWWUTRSA-N 0 0 653.573 7.998 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1-c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000098045671 554133230 /nfs/dbraw/zinc/13/32/30/554133230.db2.gz DUTRUPFGZRISNG-UHFFFAOYSA-N 0 0 559.033 7.862 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(Br)c3)cc2)c1 ZINC000098046672 554142417 /nfs/dbraw/zinc/14/24/17/554142417.db2.gz WWHPPZAFKIXGHO-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccc(Oc4ccccc4)c3)cc2)c1 ZINC000098046699 554142866 /nfs/dbraw/zinc/14/28/66/554142866.db2.gz CIRUTOTVLDESLO-UUWRZZSWSA-N 0 0 582.656 7.540 50 30 KKEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c(F)c1 ZINC000098047079 554146335 /nfs/dbraw/zinc/14/63/35/554146335.db2.gz VBDAVBKMDMSRDS-UHFFFAOYSA-N 0 0 557.622 5.770 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047362 554150069 /nfs/dbraw/zinc/15/00/69/554150069.db2.gz QCFZLRLYFWJPMR-MUUNZHRXSA-N 0 0 648.250 8.743 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(F)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047487 554151747 /nfs/dbraw/zinc/15/17/47/554151747.db2.gz BIVVRPJSTPEYTE-UHFFFAOYSA-N 0 0 609.601 7.265 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000098047568 554152574 /nfs/dbraw/zinc/15/25/74/554152574.db2.gz DYFLHDXSOBGIOF-UHFFFAOYSA-N 0 0 571.983 7.741 50 30 KKEARN N#Cc1c(C(F)(F)F)cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1SCc1ccccc1Cl ZINC000098047572 554152929 /nfs/dbraw/zinc/15/29/29/554152929.db2.gz YBHLHKVQWLCFLT-UHFFFAOYSA-N 0 0 545.413 8.817 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000036045018 554152952 /nfs/dbraw/zinc/15/29/52/554152952.db2.gz IOEZMAPTJVWWCY-UHFFFAOYSA-N 0 0 519.432 6.421 50 30 KKEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000036046351 554153789 /nfs/dbraw/zinc/15/37/89/554153789.db2.gz ZLBYHYPUEUMDLS-UHFFFAOYSA-N 0 0 503.471 6.145 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000098047651 554153996 /nfs/dbraw/zinc/15/39/96/554153996.db2.gz PSBAUCOPRDYFSH-UHFFFAOYSA-N 0 0 626.056 7.779 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047793 554156442 /nfs/dbraw/zinc/15/64/42/554156442.db2.gz NIPXSFKTGHYOHZ-SSEXGKCCSA-N 0 0 637.783 7.907 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000036052535 554158433 /nfs/dbraw/zinc/15/84/33/554158433.db2.gz QXMGDZOQWOBMMM-UHFFFAOYSA-N 0 0 515.013 5.397 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1ccc(C)cc1 ZINC000036052532 554158480 /nfs/dbraw/zinc/15/84/80/554158480.db2.gz ZECBMMINRSCLAV-UHFFFAOYSA-N 0 0 515.013 5.777 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3cc4c(c(C)c3)O[C@H](C)C4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048021 554158840 /nfs/dbraw/zinc/15/88/40/554158840.db2.gz PZIYUYFIQCJPPT-KCEHZKJRSA-N 0 0 632.738 7.607 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048046 554158856 /nfs/dbraw/zinc/15/88/56/554158856.db2.gz OZNGOBIQYISKGV-WRHNGFHOSA-N 0 0 572.658 7.111 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048027 554158872 /nfs/dbraw/zinc/15/88/72/554158872.db2.gz ZOSBMVUQTYTLAQ-MRDQGFSESA-N 0 0 539.613 5.532 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048028 554158879 /nfs/dbraw/zinc/15/88/79/554158879.db2.gz ZOSBMVUQTYTLAQ-QLXKLKPCSA-N 0 0 539.613 5.532 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4c(c(C)c3)O[C@H](C)C4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048020 554158924 /nfs/dbraw/zinc/15/89/24/554158924.db2.gz PZIYUYFIQCJPPT-APYJYERMSA-N 0 0 632.738 7.607 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cc4c(c(C)c3)O[C@@H](C)C4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048018 554158937 /nfs/dbraw/zinc/15/89/37/554158937.db2.gz PZIYUYFIQCJPPT-GHRAFVERSA-N 0 0 632.738 7.607 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048180 554160227 /nfs/dbraw/zinc/16/02/27/554160227.db2.gz WVSXOSJTLOYNNM-QLXKLKPCSA-N 0 0 563.676 5.776 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](c3ccc(Cl)cc3)N3CCCCC3)[C@H]2c2ccccc2F)cc1 ZINC000098048189 554160538 /nfs/dbraw/zinc/16/05/38/554160538.db2.gz PTJHTVUEJJBJII-XCZPVHLTSA-N 0 0 533.043 6.593 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000098049078 554162912 /nfs/dbraw/zinc/16/29/12/554162912.db2.gz QGGVIPDUMHKFEM-NDEPHWFRSA-N 0 0 574.475 6.038 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000098050131 554172348 /nfs/dbraw/zinc/17/23/48/554172348.db2.gz QPZMWZRJXBVCBG-UBFVSLLYSA-N 0 0 527.365 5.575 50 30 KKEARN COc1ccc(OC)c(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C3=C2CC(C)(C)CC3=O)c1 ZINC000098050128 554172365 /nfs/dbraw/zinc/17/23/65/554172365.db2.gz KUFHBLRKERBBLW-LJAQVGFWSA-N 0 0 598.696 6.030 50 30 KKEARN COc1ccc(C(=O)C2=C(N)N(c3ccc([N+](=O)[O-])cc3C)C3=C(C(=O)CCC3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000098050125 554172375 /nfs/dbraw/zinc/17/23/75/554172375.db2.gz DXPQOZPFGWBGFZ-HHHXNRCGSA-N 0 0 553.571 5.305 50 30 KKEARN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O ZINC000098050150 554172608 /nfs/dbraw/zinc/17/26/08/554172608.db2.gz GWZIUTNHKDLYIB-SONOPUAISA-N 0 0 526.430 7.384 50 30 KKEARN CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1OC ZINC000098050363 554173897 /nfs/dbraw/zinc/17/38/97/554173897.db2.gz CKISAHSCDNMLGR-UHFFFAOYSA-N 0 0 616.865 8.017 50 30 KKEARN CCCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C#N)c2)c(O)c1 ZINC000098050362 554173918 /nfs/dbraw/zinc/17/39/18/554173918.db2.gz CHOPPMMJIORSTQ-JGCGQSQUSA-N 0 0 633.233 9.513 50 30 KKEARN CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000098050397 554174368 /nfs/dbraw/zinc/17/43/68/554174368.db2.gz GHQKALYPFGWGPK-IQGLISFBSA-N 0 0 536.669 7.057 50 30 KKEARN CSc1sc(C)cc1[C@H]1C(C(=O)Nc2c(F)cccc2F)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000098050396 554174439 /nfs/dbraw/zinc/17/44/39/554174439.db2.gz GHQKALYPFGWGPK-CJAUYULYSA-N 0 0 536.669 7.057 50 30 KKEARN CCCCCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1 ZINC000098050467 554174984 /nfs/dbraw/zinc/17/49/84/554174984.db2.gz IXEJZFPSIBKLLU-PKNHVDRJSA-N 0 0 586.526 7.107 50 30 KKEARN O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000098087056 554176602 /nfs/dbraw/zinc/17/66/02/554176602.db2.gz YOUGLINLCNWTEF-AOFZEWBLSA-N 0 0 501.951 7.317 50 30 KKEARN CO/C=C(/C(=O)OC)c1c(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)nn1C ZINC000100016159 554181625 /nfs/dbraw/zinc/18/16/25/554181625.db2.gz YBPKRJMDKHTILX-NTEUORMPSA-N 0 0 500.317 5.037 50 30 KKEARN Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c2)c(C)c1 ZINC000100025429 554183585 /nfs/dbraw/zinc/18/35/85/554183585.db2.gz VOQRDFADPDRXHK-UHFFFAOYSA-N 0 0 605.347 7.379 50 30 KKEARN COc1ccc(Nc2nc(N=NC=C(Br)Cc3ccccc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100028062 554183824 /nfs/dbraw/zinc/18/38/24/554183824.db2.gz DYMSKIOQUSMFDE-WCMHEWFTSA-N 0 0 561.400 6.109 50 30 KKEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(I)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000100027946 554183831 /nfs/dbraw/zinc/18/38/31/554183831.db2.gz HAAMTGDFVYSXBN-ZVHZXABRSA-N 0 0 552.336 5.318 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(C)cc1 ZINC000036117122 554184214 /nfs/dbraw/zinc/18/42/14/554184214.db2.gz UDOLTLAILCUKRH-HHHXNRCGSA-N 0 0 502.680 6.013 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(C)cc1 ZINC000036117121 554184241 /nfs/dbraw/zinc/18/42/41/554184241.db2.gz UDOLTLAILCUKRH-MHZLTWQESA-N 0 0 502.680 6.013 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)c1cccc(Cl)c1 ZINC000036117527 554185341 /nfs/dbraw/zinc/18/53/41/554185341.db2.gz RSTAWPZPDWYLLE-XMMPIXPASA-N 0 0 511.043 5.243 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000100033150 554187373 /nfs/dbraw/zinc/18/73/73/554187373.db2.gz RKCWFVIEXPRFOF-JTOYJDTJSA-N 0 0 614.570 7.443 50 30 KKEARN O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000100036657 554190889 /nfs/dbraw/zinc/19/08/89/554190889.db2.gz GSVUUONAODQBGZ-RKMZGRCJSA-N 0 0 553.865 7.142 50 30 KKEARN O=C(/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@@H]21)COc1cccc(C(F)(F)F)c1 ZINC000100042037 554192710 /nfs/dbraw/zinc/19/27/10/554192710.db2.gz FLEHAOYBYPJWKG-LDTJXHHCSA-N 0 0 550.529 6.054 50 30 KKEARN Cc1cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c(O)c(Br)c1C ZINC000100042742 554192939 /nfs/dbraw/zinc/19/29/39/554192939.db2.gz LYSFQQHDMQIFJV-OPEKNORGSA-N 0 0 547.190 6.935 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C(=O)Nc1ccc(C)cc1 ZINC000036122541 554194307 /nfs/dbraw/zinc/19/43/07/554194307.db2.gz GUFMNMWYCOABOQ-HSZRJFAPSA-N 0 0 505.640 5.290 50 30 KKEARN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1Br ZINC000100054383 554195643 /nfs/dbraw/zinc/19/56/43/554195643.db2.gz HHWKKIAHWWCMFY-GXBHZWLOSA-N 0 0 558.501 7.446 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036124153 554195841 /nfs/dbraw/zinc/19/58/41/554195841.db2.gz ZXWZNDKCZSWSSR-RUZDIDTESA-N 0 0 524.708 5.055 50 30 KKEARN C=CCN(CCc1ccccc1)C(=NCC(=O)c1ccc(Br)cc1)SCc1ccccc1 ZINC000100055096 554195925 /nfs/dbraw/zinc/19/59/25/554195925.db2.gz LUQLUYXEDZHSBR-ORIPQNMZSA-N 0 0 507.497 6.652 50 30 KKEARN O=C(CSc1nc2ccc(/N=C/c3ccc(Sc4cccc5cccnc54)o3)cc2s1)N1CCOCC1 ZINC000100055411 554196234 /nfs/dbraw/zinc/19/62/34/554196234.db2.gz ZWHYWQXRPYMHIV-MUFRIFMGSA-N 0 0 546.699 6.290 50 30 KKEARN COc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1OCc1ccc(Cl)cc1Cl ZINC000100061931 554199036 /nfs/dbraw/zinc/19/90/36/554199036.db2.gz NHGTYHIUWNRLDQ-ORXZFWEQSA-N 0 0 541.250 7.602 50 30 KKEARN COc1ccc2c(c1)[C@@]1(SCCN1C(=O)Nc1cccc(Cl)c1)C(=O)N2Cc1cccc(C#N)c1 ZINC000036164189 554199764 /nfs/dbraw/zinc/19/97/64/554199764.db2.gz 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/nfs/dbraw/zinc/20/51/96/554205196.db2.gz OSHRVAZBLVYRAC-VOIUYBSRSA-N 0 0 560.872 6.130 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(O)c2)cc1 ZINC000100079650 554206075 /nfs/dbraw/zinc/20/60/75/554206075.db2.gz AYYIKCXBGDTBGI-YUDQIZAISA-N 0 0 525.601 5.385 50 30 KKEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000100080753 554206767 /nfs/dbraw/zinc/20/67/67/554206767.db2.gz NYXFYJDONRCJCQ-JVTFTUBXSA-N 0 0 591.567 8.223 50 30 KKEARN CC(C)Oc1ccc(Br)cc1/C=C1/CCC/C(=C/c2cc(Br)ccc2OC(C)C)C1=O ZINC000100087716 554209585 /nfs/dbraw/zinc/20/95/85/554209585.db2.gz KHEAHQWFFUZTHH-BKHHGCLFSA-N 0 0 548.315 8.006 50 30 KKEARN COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)c1 ZINC000100105674 554220519 /nfs/dbraw/zinc/22/05/19/554220519.db2.gz VZHBWUDSYIVHGV-NGNZEAJZSA-N 0 0 545.995 6.024 50 30 KKEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1Cl ZINC000100107061 554220769 /nfs/dbraw/zinc/22/07/69/554220769.db2.gz XPXPMFRJNYLRQX-AIAZDZNISA-N 0 0 578.468 7.019 50 30 KKEARN COc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N\c3ccc(OC(F)(F)Cl)cc3)S2)c1 ZINC000100107813 554220907 /nfs/dbraw/zinc/22/09/07/554220907.db2.gz CSJMXLCXNRYYFY-TUAZGVTNSA-N 0 0 560.022 6.066 50 30 KKEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3cc(Cl)ccc3N2C(=O)C=Cc2ccccc2)c1 ZINC000100110457 554221166 /nfs/dbraw/zinc/22/11/66/554221166.db2.gz SGXRQIYAMQBRLL-CECXSRDMSA-N 0 0 561.081 7.963 50 30 KKEARN COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccccc2)cc1 ZINC000100111134 554221828 /nfs/dbraw/zinc/22/18/28/554221828.db2.gz XTFHKONRFOLEJE-QPRQTZNDSA-N 0 0 545.995 6.024 50 30 KKEARN COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)S/C2=N\c2ccccc2)cc1 ZINC000100111137 554221858 /nfs/dbraw/zinc/22/18/58/554221858.db2.gz XTFHKONRFOLEJE-NGNZEAJZSA-N 0 0 545.995 6.024 50 30 KKEARN N=C(Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)N[C@H](CC(=O)c1cccs1)C(F)(F)F ZINC000100121456 554224323 /nfs/dbraw/zinc/22/43/23/554224323.db2.gz BBLSPIXQLOCFLV-LYPXWFNGSA-N 0 0 503.937 6.268 50 30 KKEARN CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC ZINC000100123884 554224716 /nfs/dbraw/zinc/22/47/16/554224716.db2.gz CKGVBFQDYSPMSY-XMMPIXPASA-O 0 0 538.683 5.782 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)OCC)cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000100129968 554225476 /nfs/dbraw/zinc/22/54/76/554225476.db2.gz XUXXDWDSYCOFHM-KTLMTBOJSA-N 0 0 589.670 5.209 50 30 KKEARN Cc1c(/N=C2\C=C(c3ccc(Br)cc3)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100130688 554225766 /nfs/dbraw/zinc/22/57/66/554225766.db2.gz LBCIBXLZEIPSTM-IADYIPOJSA-N 0 0 618.404 5.046 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OCC)cc3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000100129998 554225842 /nfs/dbraw/zinc/22/58/42/554225842.db2.gz XKFLLVBGOJZHKA-SKCJHTIKSA-N 0 0 575.643 5.151 50 30 KKEARN CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000100141633 554227890 /nfs/dbraw/zinc/22/78/90/554227890.db2.gz VJZAGTVQZRJJFN-JJKYIXSRSA-N 0 0 530.868 7.060 50 30 KKEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000100142029 554228118 /nfs/dbraw/zinc/22/81/18/554228118.db2.gz LVYWWXMWWHDMLL-OHWKKVTOSA-N 0 0 540.619 7.656 50 30 KKEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142312 554228302 /nfs/dbraw/zinc/22/83/02/554228302.db2.gz GEPOTAJIXHCLET-IABYKIDSSA-N 0 0 551.640 5.445 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C)c3)CC(=O)N2CCc2ccc(F)cc2)cc1 ZINC000100142444 554228487 /nfs/dbraw/zinc/22/84/87/554228487.db2.gz KIEWEFQCPOKHBG-CALDVZBHSA-N 0 0 533.625 5.514 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccccc3F)S2)cc1 ZINC000100142356 554228595 /nfs/dbraw/zinc/22/85/95/554228595.db2.gz WUCUPKGLHBYTDQ-MEXAFARESA-N 0 0 549.624 5.214 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)/C(=N/c3ccc(C(=O)OCC)cc3)S2)cc1 ZINC000100142381 554228600 /nfs/dbraw/zinc/22/86/00/554228600.db2.gz BTCBISSDNWPEFN-QIPXUYOGSA-N 0 0 589.714 5.864 50 30 KKEARN CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144666 554230084 /nfs/dbraw/zinc/23/00/84/554230084.db2.gz NAKUWEVUNLESSZ-SKCJHTIKSA-N 0 0 564.107 6.337 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100158242 554233517 /nfs/dbraw/zinc/23/35/17/554233517.db2.gz YNDRVXLKMGWFCX-LGPLSSKUSA-N 0 0 573.045 5.096 50 30 KKEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100158241 554233534 /nfs/dbraw/zinc/23/35/34/554233534.db2.gz YNDRVXLKMGWFCX-SKBVVQJISA-N 0 0 573.045 5.096 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100159851 554234027 /nfs/dbraw/zinc/23/40/27/554234027.db2.gz XXBRCQBGNVBHRO-USCONSEESA-N 0 0 562.515 6.549 50 30 KKEARN COC(=O)C1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100160335 554234635 /nfs/dbraw/zinc/23/46/35/554234635.db2.gz WMTKFPRXKGSNQB-DMTNHVFBSA-N 0 0 607.490 5.749 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OC)c2)C2=C(C[C@@H](c3cccs3)[C@H](C(=O)OCC)C2=O)N1 ZINC000100164519 554235823 /nfs/dbraw/zinc/23/58/23/554235823.db2.gz JWADKNUJUWHQMN-MUEKUWCCSA-N 0 0 553.677 5.259 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(F)c1 ZINC000100167085 554237085 /nfs/dbraw/zinc/23/70/85/554237085.db2.gz RPYAYTGTVCLOFV-VTFFUMFSSA-N 0 0 547.755 9.285 50 30 KKEARN CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@@H](C)CCCCCC)cc3)cc2)cc1 ZINC000100168004 554237647 /nfs/dbraw/zinc/23/76/47/554237647.db2.gz AYYWUKWHSHVSLJ-NDEPHWFRSA-N 0 0 558.759 9.828 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100171896 554238461 /nfs/dbraw/zinc/23/84/61/554238461.db2.gz HKTMCKJJLZKGFK-PNTFMKQHSA-N 0 0 595.092 6.068 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100172866 554238998 /nfs/dbraw/zinc/23/89/98/554238998.db2.gz JZHBJZKDLVMSEK-IEZKXTBUSA-N 0 0 587.654 5.184 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@@H]1c1cccc(F)c1 ZINC000100172994 554239353 /nfs/dbraw/zinc/23/93/53/554239353.db2.gz QKLGDXHVABNIOK-IEZKXTBUSA-N 0 0 578.637 5.554 50 30 KKEARN C=CCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1ccc(C)cc1 ZINC000037397909 554240261 /nfs/dbraw/zinc/24/02/61/554240261.db2.gz DEXBSVAROOWKIO-UHFFFAOYSA-N 0 0 527.669 5.833 50 30 KKEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000100185208 554242487 /nfs/dbraw/zinc/24/24/87/554242487.db2.gz IUEZLCVTYUBOCK-VMQZSWSVSA-N 0 0 615.674 6.714 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000100198509 554246337 /nfs/dbraw/zinc/24/63/37/554246337.db2.gz NAJUAVVORIYTAH-QNGOZBTKSA-N 0 0 534.497 5.865 50 30 KKEARN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)N1CC ZINC000100203456 554247237 /nfs/dbraw/zinc/24/72/37/554247237.db2.gz KPRKUYDJCGNYHO-MNEJGJRCSA-N 0 0 538.511 6.748 50 30 KKEARN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000100214889 554249793 /nfs/dbraw/zinc/24/97/93/554249793.db2.gz IMNNHWYEORFZKH-RUZDIDTESA-N 0 0 533.983 6.198 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000100215728 554250029 /nfs/dbraw/zinc/25/00/29/554250029.db2.gz BWHUETDPIXNPEG-DEOSSOPVSA-N 0 0 534.381 5.909 50 30 KKEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000100215445 554250039 /nfs/dbraw/zinc/25/00/39/554250039.db2.gz SCQKSHCCCKALHW-QHCPKHFHSA-N 0 0 524.375 6.453 50 30 KKEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100217202 554250925 /nfs/dbraw/zinc/25/09/25/554250925.db2.gz CGYSIESANCWSPV-VFPKNACXSA-N 0 0 596.105 5.737 50 30 KKEARN COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(I)c1OCC#N ZINC000100218003 554251210 /nfs/dbraw/zinc/25/12/10/554251210.db2.gz ZCGLPCQZBGPJMT-RZWNPCLDSA-N 0 0 595.462 5.875 50 30 KKEARN CCCCCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCCCCC)cc3)c(Cl)c2)cc1 ZINC000100225309 554252911 /nfs/dbraw/zinc/25/29/11/554252911.db2.gz MDHKESNCDKIVKS-IRKUSUMASA-N 0 0 575.237 11.320 50 30 KKEARN C=CCOc1c(I)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000100229522 554255019 /nfs/dbraw/zinc/25/50/19/554255019.db2.gz RPNMBAKKIVZUIJ-WQRHYEAKSA-N 0 0 541.794 5.755 50 30 KKEARN CCOc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)cc(Cl)c1OC(C)C ZINC000100230059 554255708 /nfs/dbraw/zinc/25/57/08/554255708.db2.gz ZBTACJUJVBZNIC-YFBGDSSHSA-N 0 0 547.519 8.585 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000100231094 554256716 /nfs/dbraw/zinc/25/67/16/554256716.db2.gz HKUWYISVNZSANO-ZOBKUTJXSA-N 0 0 509.425 6.665 50 30 KKEARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000100230892 554256744 /nfs/dbraw/zinc/25/67/44/554256744.db2.gz XCVWEDJZRQSKET-LPYMAVHISA-N 0 0 560.275 7.041 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc(C)cc1 ZINC000100232290 554257266 /nfs/dbraw/zinc/25/72/66/554257266.db2.gz OWTHILYRRWXDSO-UHFFFAOYSA-N 0 0 570.423 6.315 50 30 KKEARN COC(=O)COc1ccc(Br)cc1/C=C1/S/C(=N\c2ccc(OC)cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000100276079 554272796 /nfs/dbraw/zinc/27/27/96/554272796.db2.gz BFHJXUMEBPYBFR-MACIWIFSSA-N 0 0 620.525 6.338 50 30 KKEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1c3ccccc3C2c2ccccc21 ZINC000038534887 554274873 /nfs/dbraw/zinc/27/48/73/554274873.db2.gz ZZUOZTOXFXQMQT-UWQWAJIHSA-N 0 0 512.487 6.192 50 30 KKEARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100281083 554276703 /nfs/dbraw/zinc/27/67/03/554276703.db2.gz WIULCUSJHMEVLJ-DQHMDIJASA-N 0 0 538.025 5.296 50 30 KKEARN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccc(F)cc2)S1 ZINC000100294977 554287635 /nfs/dbraw/zinc/28/76/35/554287635.db2.gz WTZXWFSYRNLHMS-OJEZVBBGSA-N 0 0 537.613 5.055 50 30 KKEARN COP(=O)(OC)[C@H](NS(=O)(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100301183 554291444 /nfs/dbraw/zinc/29/14/44/554291444.db2.gz VTCTWFQCPOCTDX-JTQLQIEISA-N 0 0 579.296 5.219 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307864 554296339 /nfs/dbraw/zinc/29/63/39/554296339.db2.gz BPHYPWIVVGQXLE-CAJWKFQMSA-N 0 0 542.032 5.699 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(F)cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307858 554296429 /nfs/dbraw/zinc/29/64/29/554296429.db2.gz BPHYPWIVVGQXLE-BWUCGBNQSA-N 0 0 542.032 5.699 50 30 KKEARN CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OCC ZINC000043278681 554298401 /nfs/dbraw/zinc/29/84/01/554298401.db2.gz LPHUUVMLQFHHQG-AREMUKBSSA-O 0 0 510.717 6.729 50 30 in-vitro KKEARN c1ccc(N=NC(N=Nc2ccccc2)c2ccc(C(N=Nc3ccccc3)N=Nc3ccccc3)cc2)cc1 ZINC000043761162 554299671 /nfs/dbraw/zinc/29/96/71/554299671.db2.gz RXDVPZKPHYWZEI-CNLTUREFSA-N 0 0 522.616 8.802 50 30 KKEARN CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1N ZINC000100310092 554299681 /nfs/dbraw/zinc/29/96/81/554299681.db2.gz IXRSLBOIAWFLOH-UHFFFAOYSA-N 0 0 604.810 7.503 50 30 KKEARN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000100311854 554301300 /nfs/dbraw/zinc/30/13/00/554301300.db2.gz MXEJPFPCZWWBTB-MZJWZYIUSA-N 0 0 527.419 5.995 50 30 KKEARN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCc1ccccc1C#N ZINC000100317648 554303380 /nfs/dbraw/zinc/30/33/80/554303380.db2.gz SHHUFILQRVCLJE-WYMPLXKRSA-N 0 0 585.932 7.358 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OCC ZINC000100318232 554303605 /nfs/dbraw/zinc/30/36/05/554303605.db2.gz LJENTXHYVKMRJK-XMHGGMMESA-N 0 0 516.379 5.841 50 30 KKEARN COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OC ZINC000100322990 554306866 /nfs/dbraw/zinc/30/68/66/554306866.db2.gz KGVOUKQUCCLIMR-YPRVEJFFSA-N 0 0 523.452 6.139 50 30 KKEARN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4ccccc4Cl)[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000049771676 554325917 /nfs/dbraw/zinc/32/59/17/554325917.db2.gz HIDBFCAYHFMHLE-YUYWZBKDSA-N 0 0 579.115 8.991 50 30 KKEARN COc1ccc(CN2CCN(c3c(Cc4ccc(Cl)cc4)c(C)c(C#N)c4nc5ccccc5n43)CC2)cc1F ZINC000050861107 554327765 /nfs/dbraw/zinc/32/77/65/554327765.db2.gz ZIGUPKWYDYCYGL-UHFFFAOYSA-N 0 0 554.069 6.382 50 30 KKEARN COc1cc(C(=O)/C(=C\c2coc3ccc(F)cc3c2=O)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065493 554328793 /nfs/dbraw/zinc/32/87/93/554328793.db2.gz MOBDCJIUPKLPOQ-VXLYETTFSA-N 0 0 500.482 5.258 50 30 KKEARN COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000100348017 554330629 /nfs/dbraw/zinc/33/06/29/554330629.db2.gz ZKWDDVNXSRXPLB-VGHQLABFSA-N 0 0 547.677 5.532 50 30 KKEARN O=C(/C=C/O/C=C\C(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000100352087 554331085 /nfs/dbraw/zinc/33/10/85/554331085.db2.gz OXIFIUZKKPMYDQ-DSOJMZEYSA-N 0 0 530.099 5.005 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290444 554331191 /nfs/dbraw/zinc/33/11/91/554331191.db2.gz FNCDJMKOOIINBD-DEOSSOPVSA-N 0 0 528.586 5.573 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000053292147 554332254 /nfs/dbraw/zinc/33/22/54/554332254.db2.gz YFNVHVSNWPDBPD-QMTYFTJSSA-N 0 0 542.613 5.810 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291977 554332265 /nfs/dbraw/zinc/33/22/65/554332265.db2.gz UVMHLDQBIWAHMV-QFIPXVFZSA-N 0 0 535.419 6.159 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053306030 554333056 /nfs/dbraw/zinc/33/30/56/554333056.db2.gz QIMMJAOIZXJRKR-VWLOTQADSA-N 0 0 574.611 5.185 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306947 554334676 /nfs/dbraw/zinc/33/46/76/554334676.db2.gz PWUPZNCWCKFNEC-QHCPKHFHSA-N 0 0 549.446 6.549 50 30 KKEARN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000053307242 554335214 /nfs/dbraw/zinc/33/52/14/554335214.db2.gz LLYWPZMAOVCHNV-IPBJYNAHSA-N 0 0 537.660 7.449 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053307813 554335568 /nfs/dbraw/zinc/33/55/68/554335568.db2.gz KFAIGFFZNBGVAY-VWLOTQADSA-N 0 0 530.621 6.915 50 30 KKEARN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000053319268 554337006 /nfs/dbraw/zinc/33/70/06/554337006.db2.gz TUIKGVLMNFIXJR-NDEPHWFRSA-N 0 0 569.455 6.510 50 30 KKEARN Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053319388 554337653 /nfs/dbraw/zinc/33/76/53/554337653.db2.gz XNVMXNVMLSHKIR-NRFANRHFSA-N 0 0 523.383 6.289 50 30 KKEARN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000053319436 554337971 /nfs/dbraw/zinc/33/79/71/554337971.db2.gz YLURVBPDUSIJMS-GZGVDWRWSA-N 0 0 565.714 8.373 50 30 KKEARN COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(Br)cc3)S/C2=N\c2ccccc2)cc1 ZINC000100357498 554338086 /nfs/dbraw/zinc/33/80/86/554338086.db2.gz ZXSSRMDPFHNTQJ-PNJMJVHGSA-N 0 0 538.467 5.661 50 30 KKEARN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccccc2Cl)cc1 ZINC000053319489 554338247 /nfs/dbraw/zinc/33/82/47/554338247.db2.gz VPWWYTRFJBZEGV-GDJIYFAZSA-N 0 0 553.024 8.100 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053319493 554338325 /nfs/dbraw/zinc/33/83/25/554338325.db2.gz NEPSPYLXSDQMNY-SXBQZSJRSA-N 0 0 546.576 5.559 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000053335407 554340923 /nfs/dbraw/zinc/34/09/23/554340923.db2.gz SGPLLRQOKWLXMN-CRYYWNKWSA-N 0 0 554.624 5.976 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336221 554341440 /nfs/dbraw/zinc/34/14/40/554341440.db2.gz ZUBVYRSUNRFMCB-DEOSSOPVSA-N 0 0 543.557 5.375 50 30 KKEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000053336089 554341569 /nfs/dbraw/zinc/34/15/69/554341569.db2.gz UKPMPJNNTVMMKW-LJAQVGFWSA-N 0 0 534.568 5.210 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053336756 554341729 /nfs/dbraw/zinc/34/17/29/554341729.db2.gz HLWCUSDINRGWJD-GYCJOSAFSA-N 0 0 546.645 5.858 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337400 554342164 /nfs/dbraw/zinc/34/21/64/554342164.db2.gz DDSJNLIMSLPMBL-GDLZYMKVSA-N 0 0 584.694 7.036 50 30 KKEARN CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000053338830 554342672 /nfs/dbraw/zinc/34/26/72/554342672.db2.gz NFARGJHWKCNZPW-IJAHGLKVSA-N 0 0 562.113 7.549 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338905 554343151 /nfs/dbraw/zinc/34/31/51/554343151.db2.gz VKWFMAPDLQTJQC-VWLOTQADSA-N 0 0 556.596 5.254 50 30 KKEARN CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000053339409 554343550 /nfs/dbraw/zinc/34/35/50/554343550.db2.gz MWGLRRBODNUVTG-HKBQPEDESA-N 0 0 590.189 7.829 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000053339311 554343556 /nfs/dbraw/zinc/34/35/56/554343556.db2.gz WDGQJTVQAIEWKO-WJOKGBTCSA-N 0 0 547.607 5.858 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354214 554344702 /nfs/dbraw/zinc/34/47/02/554344702.db2.gz SIVPSNBVMLSVPP-QFIPXVFZSA-N 0 0 551.418 5.859 50 30 KKEARN COc1cc(Br)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC ZINC000053360147 554345526 /nfs/dbraw/zinc/34/55/26/554345526.db2.gz RBLNOGDDPSHGLU-HYDGNGQDSA-N 0 0 595.490 6.472 50 30 KKEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000100361760 554345678 /nfs/dbraw/zinc/34/56/78/554345678.db2.gz CWUVJQKOMLPILV-FZWCJVCJSA-N 0 0 537.613 5.055 50 30 KKEARN CN(/N=C\c1ccc(Br)cc1)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000100398032 554372095 /nfs/dbraw/zinc/37/20/95/554372095.db2.gz GDKKLDIGFHBJMV-YUMHPJSZSA-N 0 0 522.244 6.806 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)C(N=Nc1ccc(Cl)c(Cl)c1)=NNc1ccc(Cl)c(Cl)c1 ZINC000100401089 554372634 /nfs/dbraw/zinc/37/26/34/554372634.db2.gz AUDGLMMVURLJQL-NLXGBKLWSA-N 0 0 515.615 8.102 50 30 KKEARN FC(F)(F)c1ccc(Cl)c(-c2ccc(/C=N/N=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)o2)c1 ZINC000100406127 554373487 /nfs/dbraw/zinc/37/34/87/554373487.db2.gz WEVKUUJHHZRWLB-QNIRRPGASA-N 0 0 545.266 9.004 50 30 KKEARN Cn1c(CSc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000100413663 554376542 /nfs/dbraw/zinc/37/65/42/554376542.db2.gz JEUCWRHEVPYTFQ-UHFFFAOYSA-N 0 0 524.524 5.957 50 30 KKEARN Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3C4=C(CC(C)(C)CC4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)cc1 ZINC000100414408 554378658 /nfs/dbraw/zinc/37/86/58/554378658.db2.gz RUSPVENDJMIUQV-IAPPQJPRSA-N 0 0 525.626 5.805 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000100416324 554383671 /nfs/dbraw/zinc/38/36/71/554383671.db2.gz VLLHOXPXEXVYNM-VWLOTQADSA-N 0 0 509.989 6.497 50 30 KKEARN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1C#N ZINC000100419218 554385437 /nfs/dbraw/zinc/38/54/37/554385437.db2.gz IAOPIKSIEMLBPT-BQYQJAHWSA-N 0 0 517.279 5.126 50 30 KKEARN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(Br)c1OCc1cccc2ccccc21 ZINC000100421897 554385702 /nfs/dbraw/zinc/38/57/02/554385702.db2.gz HYWZYFUUWKFHRV-BVMLUPFRSA-N 0 0 566.431 5.402 50 30 KKEARN CCN1C(=O)/C(=C(\C=C2/Sc3cc(OC)ccc3N2CC)c2ccccc2)S/C1=N/c1ccccc1Cl ZINC000059222151 554385871 /nfs/dbraw/zinc/38/58/71/554385871.db2.gz XHVAGYJIBGDASZ-FKBHVMCTSA-N 0 0 548.133 7.816 50 30 KKEARN O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C1=C(O)C=Cc1ccccc1 ZINC000100455028 554396119 /nfs/dbraw/zinc/39/61/19/554396119.db2.gz LTQHEFZECDKIKK-PZVJUEDKSA-N 0 0 528.324 6.650 50 30 KKEARN FC(F)(F)c1cnc(N=NCc2cccc(OCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2)c(Cl)c1 ZINC000059503083 554399577 /nfs/dbraw/zinc/39/95/77/554399577.db2.gz YGRSRHGSLAXFAM-FPWVPGCSSA-N 0 0 607.386 6.468 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000059503720 554399641 /nfs/dbraw/zinc/39/96/41/554399641.db2.gz IQWNEEWFQROIQC-IIMAJNMQSA-N 0 0 569.614 5.621 50 30 KKEARN COc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccc(OC)c(OC)c4)C3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000059514798 554401731 /nfs/dbraw/zinc/40/17/31/554401731.db2.gz NWJBCKAFQFJMFV-JRPXNJEYSA-N 0 0 569.614 5.621 50 30 KKEARN O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000100482296 554402103 /nfs/dbraw/zinc/40/21/03/554402103.db2.gz BWUJRNOUDIUTHF-LFIBNONCSA-N 0 0 507.546 5.680 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)Nc3nc4ccc(Br)cc4s3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000059515194 554402802 /nfs/dbraw/zinc/40/28/02/554402802.db2.gz XGLXUHNXNYXCHD-HSZRJFAPSA-N 0 0 582.520 6.319 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C)cc1 ZINC000059523747 554405240 /nfs/dbraw/zinc/40/52/40/554405240.db2.gz YFPDYFHTYVTSCG-FWUCURJTSA-N 0 0 538.644 6.021 50 30 KKEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000059596127 554408814 /nfs/dbraw/zinc/40/88/14/554408814.db2.gz WLSNVHVFDLTDLC-BDHWGLMFSA-N 0 0 529.564 5.016 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000059603503 554409889 /nfs/dbraw/zinc/40/98/89/554409889.db2.gz SVMRZKVVXFLINA-AWEZNQCLSA-N 0 0 549.440 5.209 50 30 KKEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1[C@H](CC(C)C)NC(=O)c1cccs1 ZINC000059603604 554410216 /nfs/dbraw/zinc/41/02/16/554410216.db2.gz BGXULBABHVUBMJ-IBGZPJMESA-N 0 0 554.767 5.586 50 30 KKEARN C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1OC ZINC000059603570 554410242 /nfs/dbraw/zinc/41/02/42/554410242.db2.gz KDJHFHBLSBOUEP-SANMLTNESA-N 0 0 531.948 5.494 50 30 KKEARN Cc1cc2c(c(Br)c1)N(C)C(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100535212 554411974 /nfs/dbraw/zinc/41/19/74/554411974.db2.gz CTNFIRKYEKUHGB-WKHIKGPMSA-N 0 0 504.409 5.913 50 30 KKEARN CC(=O)/N=C1\NC(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)S1 ZINC000100534937 554412021 /nfs/dbraw/zinc/41/20/21/554412021.db2.gz SFISJANIYABXIA-MFOYZWKCSA-N 0 0 524.234 5.205 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000059612365 554412351 /nfs/dbraw/zinc/41/23/51/554412351.db2.gz XRDCRRGFDHIFOG-XMMPIXPASA-N 0 0 570.115 5.541 50 30 KKEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000059616690 554412981 /nfs/dbraw/zinc/41/29/81/554412981.db2.gz TXYBVJDRTWHYPU-UHFFFAOYSA-N 0 0 534.041 5.776 50 30 KKEARN C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)N=C3C)o2)ccc1Cl ZINC000100540996 554413133 /nfs/dbraw/zinc/41/31/33/554413133.db2.gz FSFWQFHIOOWXNF-XSFVSMFZSA-N 0 0 525.786 6.511 50 30 KKEARN Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]3c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000059626407 554414482 /nfs/dbraw/zinc/41/44/82/554414482.db2.gz BGSMAGNMSBVXCM-RCPZKCPKSA-N 0 0 560.046 5.839 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000100550483 554414645 /nfs/dbraw/zinc/41/46/45/554414645.db2.gz NASSTBAOOSEGAY-XYFQYJLHSA-N 0 0 537.656 6.207 50 30 KKEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1coc2ccccc2c1=O ZINC000100550639 554414650 /nfs/dbraw/zinc/41/46/50/554414650.db2.gz NTRWZYNDDHPIKG-KTBRYMIGSA-N 0 0 592.648 5.819 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100553077 554415459 /nfs/dbraw/zinc/41/54/59/554415459.db2.gz RAWDPXMZHWCKKX-XYFQYJLHSA-N 0 0 537.656 6.589 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2C(C)C)nnc1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000059627007 554415541 /nfs/dbraw/zinc/41/55/41/554415541.db2.gz OQDHZDWCCYGKEM-INIZCTEOSA-N 0 0 576.948 6.225 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100554136 554415831 /nfs/dbraw/zinc/41/58/31/554415831.db2.gz BRWMYAQOLLRRQX-KPURRNSFSA-N 0 0 568.066 5.605 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557282 554416646 /nfs/dbraw/zinc/41/66/46/554416646.db2.gz LIBSZQHKIMAKRV-RNWIMVQKSA-N 0 0 543.019 6.396 50 30 KKEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100557272 554416695 /nfs/dbraw/zinc/41/66/95/554416695.db2.gz HIZAMXNIMXASKP-FIPFOOKPSA-N 0 0 528.446 6.554 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000100557465 554416813 /nfs/dbraw/zinc/41/68/13/554416813.db2.gz FMTVNPGDULBHRC-QYBDOPJKSA-N 0 0 620.993 6.865 50 30 KKEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000100557436 554416925 /nfs/dbraw/zinc/41/69/25/554416925.db2.gz WZXFVRSYNRSROX-MNNSJKJDSA-N 0 0 530.020 6.029 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000100558067 554416957 /nfs/dbraw/zinc/41/69/57/554416957.db2.gz OBICSDQEKAZEQJ-BNHRFMORSA-N 0 0 569.654 5.783 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000100558657 554417239 /nfs/dbraw/zinc/41/72/39/554417239.db2.gz ALSOYSLRAPHJEF-AXUAAXHCSA-N 0 0 574.899 6.520 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000100558529 554417287 /nfs/dbraw/zinc/41/72/87/554417287.db2.gz LURAVMQWYGXCNR-IEWVHIKDSA-N 0 0 537.656 6.241 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000100558535 554417295 /nfs/dbraw/zinc/41/72/95/554417295.db2.gz LURAVMQWYGXCNR-DICHSLLOSA-N 0 0 537.656 6.241 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000100560238 554417764 /nfs/dbraw/zinc/41/77/64/554417764.db2.gz ALIALAMSHHENJN-AAQAIUOTSA-N 0 0 556.102 7.622 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Cl)c1O ZINC000100559894 554417824 /nfs/dbraw/zinc/41/78/24/554417824.db2.gz 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ZINC000100588222 554427983 /nfs/dbraw/zinc/42/79/83/554427983.db2.gz FEQVRHCKIQXNLJ-XRHLQHRESA-N 0 0 570.480 5.790 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000100588322 554427985 /nfs/dbraw/zinc/42/79/85/554427985.db2.gz VVTUBRHOWYGXQR-WGDIFIGCSA-N 0 0 586.479 5.408 50 30 KKEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1nc(C)c(C(=O)OCC)s1 ZINC000059768373 554428512 /nfs/dbraw/zinc/42/85/12/554428512.db2.gz WDFKUPQAPOTMFE-UHFFFAOYSA-N 0 0 546.725 5.039 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000100597629 554430430 /nfs/dbraw/zinc/43/04/30/554430430.db2.gz PGZJUWUHDAQRNF-SMSORMJASA-N 0 0 563.647 5.341 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000100597822 554430549 /nfs/dbraw/zinc/43/05/49/554430549.db2.gz BJUDESOMDUMSOQ-FOPBOCKXSA-N 0 0 597.708 6.224 50 30 KKEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100599821 554431349 /nfs/dbraw/zinc/43/13/49/554431349.db2.gz OAYXTNDCXDQTCQ-UXHLAJHPSA-N 0 0 593.560 6.422 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000100600109 554431517 /nfs/dbraw/zinc/43/15/17/554431517.db2.gz CTWVORFQSQRVFJ-XDCSYDRFSA-N 0 0 627.690 5.622 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000100600138 554431525 /nfs/dbraw/zinc/43/15/25/554431525.db2.gz UNBPJAWFAIOQTI-WRHNGFHOSA-N 0 0 600.506 5.798 50 30 KKEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1 ZINC000100608088 554432274 /nfs/dbraw/zinc/43/22/74/554432274.db2.gz XELPOWFFNDEZGX-HKBQPEDESA-N 0 0 536.672 6.825 50 30 KKEARN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=S)Nc2ccccc2)cc(OC)c1OC ZINC000100613355 554432692 /nfs/dbraw/zinc/43/26/92/554432692.db2.gz ARFXTIMIICRYDH-MUUNZHRXSA-N 0 0 543.689 6.726 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1ccccc1C#N ZINC000100619025 554434145 /nfs/dbraw/zinc/43/41/45/554434145.db2.gz RTNXTDZMSOPJFG-PMYQURGISA-N 0 0 615.711 5.445 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Cl)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc1OCC ZINC000100642178 554436270 /nfs/dbraw/zinc/43/62/70/554436270.db2.gz RKGWDJDBTMRRCW-SVOMUSEKSA-N 0 0 539.057 5.954 50 30 KKEARN C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=N)N3N=C(CCC)SC3=NC2=O)cc1OC ZINC000100656745 554437933 /nfs/dbraw/zinc/43/79/33/554437933.db2.gz NYHRVBXMQVAVNW-SVOMUSEKSA-N 0 0 583.508 6.063 50 30 KKEARN CCCCCCCCCCC(=O)Oc1c(Cc2ccccc2)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100657977 554438217 /nfs/dbraw/zinc/43/82/17/554438217.db2.gz VIMVTPFYFBUGKG-UHFFFAOYSA-N 0 0 629.979 9.290 50 30 KKEARN CCCC1(C)C(=O)/C=C\C(=O)C(C)(CCC)C(=O)/C=C\C(=O)C(C)(CCC)C(=O)/C=C\C(=O)C(C)(CCC)C(=O)/C=C\C1=O ZINC000100661499 554438815 /nfs/dbraw/zinc/43/88/15/554438815.db2.gz DRBPVBXBMYBVRY-WLYXFYDPSA-N 0 0 608.772 6.003 50 30 KKEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000100661941 554439353 /nfs/dbraw/zinc/43/93/53/554439353.db2.gz GECDFUBQQQGIQV-CXABMRDKSA-N 0 0 629.178 6.158 50 30 KKEARN CCCCCCCCCCCCCCCc1ccc(O[C@H](CC)C(=O)NCCCNC(=O)c2ccc3ccccc3c2O)cc1 ZINC000100663484 554439447 /nfs/dbraw/zinc/43/94/47/554439447.db2.gz VQNWYLUDSNPONB-PSXMRANNSA-N 0 0 616.887 9.273 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669832 554440978 /nfs/dbraw/zinc/44/09/78/554440978.db2.gz JFCLPWQIYVKUMZ-WTYVLRPYSA-N 0 0 546.545 6.434 50 30 KKEARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000100669868 554440979 /nfs/dbraw/zinc/44/09/79/554440979.db2.gz PUANYEDJNPCCKY-QFIPXVFZSA-N 0 0 523.382 7.255 50 30 KKEARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000100669829 554440983 /nfs/dbraw/zinc/44/09/83/554440983.db2.gz JFCLPWQIYVKUMZ-MMTVBGGISA-N 0 0 546.545 6.434 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000100672643 554441887 /nfs/dbraw/zinc/44/18/87/554441887.db2.gz SZAGTLKGCFOYRK-PMERELPUSA-N 0 0 637.129 5.245 50 30 KKEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000100672272 554442028 /nfs/dbraw/zinc/44/20/28/554442028.db2.gz BKQUJOIEEBCSNT-SSEXGKCCSA-N 0 0 554.643 5.263 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000100673968 554442567 /nfs/dbraw/zinc/44/25/67/554442567.db2.gz ZACVYXWOPHVPDR-AMDXRBSFSA-N 0 0 558.458 5.716 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100675289 554443317 /nfs/dbraw/zinc/44/33/17/554443317.db2.gz PYGAFUIUNISNHN-HHHXNRCGSA-N 0 0 604.769 7.524 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1 ZINC000100675226 554443390 /nfs/dbraw/zinc/44/33/90/554443390.db2.gz SHROJGZFWVNOTL-NDEPHWFRSA-N 0 0 527.548 6.093 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000100678377 554444974 /nfs/dbraw/zinc/44/49/74/554444974.db2.gz JTWGXPOVFVLUBZ-MHZLTWQESA-N 0 0 532.593 5.065 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100678566 554445317 /nfs/dbraw/zinc/44/53/17/554445317.db2.gz SYHYBUCIWYHLQC-NDEPHWFRSA-N 0 0 599.486 6.012 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100681236 554447621 /nfs/dbraw/zinc/44/76/21/554447621.db2.gz SBRHTZVMHZQNEW-LJAQVGFWSA-N 0 0 547.648 6.671 50 30 KKEARN N#CC1(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2C=Cc3ccccc3[C@H]21 ZINC000100682322 554447821 /nfs/dbraw/zinc/44/78/21/554447821.db2.gz MHOVHZVBLVSQTL-BSVVFNILSA-N 0 0 538.489 6.762 50 30 KKEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059844515 554448062 /nfs/dbraw/zinc/44/80/62/554448062.db2.gz HCHAZMKINHPORA-IQHHKKDSSA-N 0 0 534.565 5.035 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Br)cc1 ZINC000100691265 554450122 /nfs/dbraw/zinc/45/01/22/554450122.db2.gz MJSZSJQPURWNNM-FNZWTVRRSA-N 0 0 556.522 6.116 50 30 KKEARN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000100692886 554450164 /nfs/dbraw/zinc/45/01/64/554450164.db2.gz TWKAILFHNXDDBT-UHFFFAOYSA-N 0 0 562.589 8.200 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl ZINC000100701904 554451967 /nfs/dbraw/zinc/45/19/67/554451967.db2.gz URHYPPWYPWDNRB-NRFANRHFSA-N 0 0 543.432 8.140 50 30 KKEARN CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100701926 554452251 /nfs/dbraw/zinc/45/22/51/554452251.db2.gz CAYQTYGNQIIRIQ-OAQYLSRUSA-N 0 0 553.984 7.395 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2ccccc2Cl)cc1OC ZINC000100705902 554453077 /nfs/dbraw/zinc/45/30/77/554453077.db2.gz NZUTWBGUAKQCIS-ACSYHNTCSA-N 0 0 536.068 6.595 50 30 KKEARN CCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)OC)cc1)C(Cl)(Cl)Cl ZINC000100719251 554454889 /nfs/dbraw/zinc/45/48/89/554454889.db2.gz VZRNCVGYUBUWOQ-LJQANCHMSA-N 0 0 510.915 5.713 50 30 KKEARN CCCCS(=O)(=O)C[C@H](O)CSc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000100728465 554458513 /nfs/dbraw/zinc/45/85/13/554458513.db2.gz YBUGMNPZFGCOBU-OAQYLSRUSA-N 0 0 545.524 5.718 50 30 KKEARN CCCCCCCCCCCCCCCCCCOC(=O)CCCCSc1ncnc2[nH]cnc21 ZINC000100730275 554459333 /nfs/dbraw/zinc/45/93/33/554459333.db2.gz UCJQKGREHUOTEM-UHFFFAOYSA-N 0 0 504.785 8.420 50 30 KKEARN CCCCCCCCN(CCO)C(=O)Nc1ccc(C)c(NC(=O)N(CCO)CCCCCCCC)c1 ZINC000100730587 554459410 /nfs/dbraw/zinc/45/94/10/554459410.db2.gz JNOXSPDUANRVRJ-UHFFFAOYSA-N 0 0 520.759 6.368 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100732489 554460161 /nfs/dbraw/zinc/46/01/61/554460161.db2.gz GFPALQJHYIMBPL-NQHRYMMQSA-N 0 0 568.464 5.172 50 30 KKEARN CCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000100738446 554462197 /nfs/dbraw/zinc/46/21/97/554462197.db2.gz PVVXFRPBVLCDDH-UHFFFAOYSA-N 0 0 509.091 6.429 50 30 KKEARN C=CCc1ccccc1OCCn1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21 ZINC000100785740 554472697 /nfs/dbraw/zinc/47/26/97/554472697.db2.gz PVGLSPQVAPBSDH-NCBSRWTOSA-N 0 0 530.653 6.753 50 30 KKEARN CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(OC)cc3)C2=O)SC1=S ZINC000100789062 554472735 /nfs/dbraw/zinc/47/27/35/554472735.db2.gz UBLUYRQDDRDIHM-IZHYLOQSSA-N 0 0 537.707 5.612 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC1=S ZINC000100838908 554486699 /nfs/dbraw/zinc/48/66/99/554486699.db2.gz MLWZFYBHYVKLFU-OFWBYEQRSA-N 0 0 585.770 8.429 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000100845981 554491196 /nfs/dbraw/zinc/49/11/96/554491196.db2.gz UYGOYFKNKMZJSH-JWGURIENSA-N 0 0 513.641 5.880 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850053 554492579 /nfs/dbraw/zinc/49/25/79/554492579.db2.gz LBGUWZIFKXSRBU-HVIPQOSHSA-N 0 0 537.656 6.589 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000100850047 554492606 /nfs/dbraw/zinc/49/26/06/554492606.db2.gz MFRNVEBLHNEBSS-VCTRWQRLSA-N 0 0 551.683 6.979 50 30 KKEARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000100857428 554493684 /nfs/dbraw/zinc/49/36/84/554493684.db2.gz XJDMETIULKMWSF-CQSZACIVSA-N 0 0 534.375 6.436 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000100857932 554494033 /nfs/dbraw/zinc/49/40/33/554494033.db2.gz LHNXFOWPNNPQQI-RRAHZORUSA-N 0 0 537.710 6.856 50 30 KKEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000100866298 554497131 /nfs/dbraw/zinc/49/71/31/554497131.db2.gz KKHWFDPCXBCKEQ-WJOKGBTCSA-N 0 0 606.700 7.374 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(C)c2)SC1=S ZINC000100871685 554499922 /nfs/dbraw/zinc/49/99/22/554499922.db2.gz LHWYSZMRBKQNGV-MKFPQRGTSA-N 0 0 617.925 10.149 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000100871862 554499989 /nfs/dbraw/zinc/49/99/89/554499989.db2.gz PTSHIUPRDDOBDH-WMMMYUQOSA-N 0 0 591.843 8.679 50 30 KKEARN CCCCCCCCCCCCN1C(=O)/C(=C2\c3cc(Br)ccc3N(CCCC)C2=O)SC1=S ZINC000100872614 554501272 /nfs/dbraw/zinc/50/12/72/554501272.db2.gz PHUBSDQJZVMGDP-VHXPQNKSSA-N 0 0 565.643 8.088 50 30 KKEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100874117 554502790 /nfs/dbraw/zinc/50/27/90/554502790.db2.gz KLOLXWKJZOQBOD-ZIADKAODSA-N 0 0 557.738 5.109 50 30 KKEARN Cc1cc(C)c(NC(=O)Cn2c(C#N)c(NCc3ccccc3)n(Cc3ccccc3)c2=O)c(Cl)c1 ZINC000062620514 554507413 /nfs/dbraw/zinc/50/74/13/554507413.db2.gz IEFYFZCNFDFZEE-UHFFFAOYSA-N 0 0 500.002 5.091 50 30 KKEARN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=CC(C(=O)c5ccccc5)=C[C@H]34)C2O)c(C)c1 ZINC000100899894 554514357 /nfs/dbraw/zinc/51/43/57/554514357.db2.gz RRVVZYNZCAXTSD-HPQIJTKRSA-N 0 0 537.015 5.335 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3C)n2)nc2scc(-c3ccccc3)c2c1=O ZINC000100912417 554517890 /nfs/dbraw/zinc/51/78/90/554517890.db2.gz SIXDXBKRRNEJRI-UHFFFAOYSA-N 0 0 531.688 5.869 50 30 KKEARN CCCCCCCCCCCCCNS(=O)(=O)c1ccc(Oc2c(Cl)c(Cl)nn2C)cc1 ZINC000100916537 554519731 /nfs/dbraw/zinc/51/97/31/554519731.db2.gz VXYVRYNIFMYLNH-UHFFFAOYSA-N 0 0 504.524 7.109 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000100918039 554520561 /nfs/dbraw/zinc/52/05/61/554520561.db2.gz QIVNLUMCIFQEHG-DWACAAAGSA-N 0 0 565.688 5.148 50 30 KKEARN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 ZINC000100921204 554521351 /nfs/dbraw/zinc/52/13/51/554521351.db2.gz NAJNKAPVSBLOPN-XLNRJJMWSA-N 0 0 547.540 6.735 50 30 KKEARN C=CCn1c(SCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)nnc1-c1ccc(OC)c(OC)c1 ZINC000100924808 554523400 /nfs/dbraw/zinc/52/34/00/554523400.db2.gz QIZHQUPNMWTHDD-UHFFFAOYSA-N 0 0 610.083 6.599 50 30 KKEARN O=C(Nc1nc[nH]n1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068574612 554540051 /nfs/dbraw/zinc/54/00/51/554540051.db2.gz JTLWKPHTJZCFLG-NJGYIYPDSA-N 0 0 562.136 5.265 50 30 KKEARN O=C(Nc1nc[nH]n1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068574614 554540099 /nfs/dbraw/zinc/54/00/99/554540099.db2.gz JTLWKPHTJZCFLG-XINAWCOVSA-N 0 0 562.136 5.265 50 30 KKEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\CCC/C(=C\c4ccc(-c5ccc(C(=O)OCC)cc5)o4)C3=O)o2)cc1 ZINC000100984271 554548302 /nfs/dbraw/zinc/54/83/02/554548302.db2.gz NXNPKBDNVSPTGW-CRYYDKFDSA-N 0 0 550.607 7.780 50 30 KKEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1/s/c(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n1-c1ccccc1 ZINC000100988749 554549356 /nfs/dbraw/zinc/54/93/56/554549356.db2.gz AMMJLIUWDRNKPF-ZSFKFEAESA-N 0 0 592.891 6.261 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S ZINC000101009914 554557396 /nfs/dbraw/zinc/55/73/96/554557396.db2.gz GRKYMPORGVQCHF-PGMHBOJBSA-N 0 0 516.733 5.402 50 30 KKEARN C=CCOc1c(Br)cc(C(c2c(C)[nH]c3ccccc32)c2c(C)[nH]c3ccccc32)cc1OCC ZINC000101009795 554557411 /nfs/dbraw/zinc/55/74/11/554557411.db2.gz UITZWESBYIQBTE-UHFFFAOYSA-N 0 0 529.478 8.172 50 30 KKEARN CCCCCCCC[C@@H](O)c1ccc2c(c1)OCCOCCOc1ccc([C@@H](O)CCCCCCCC)cc1OCCOCCO2 ZINC000101011301 554557847 /nfs/dbraw/zinc/55/78/47/554557847.db2.gz LRQDDDXIBBXZBZ-AQOUDTPCSA-N 0 0 644.890 8.517 50 30 KKEARN CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000101017705 554561149 /nfs/dbraw/zinc/56/11/49/554561149.db2.gz OVJUSKNMYUFFOB-UHFFFAOYSA-N 0 0 581.908 9.493 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S ZINC000101023350 554562641 /nfs/dbraw/zinc/56/26/41/554562641.db2.gz RBMXWDVCTNKGDS-FXBPSFAMSA-N 0 0 516.733 5.402 50 30 KKEARN COc1cc([C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3nc(SCc4ccccn4)nn32)cc(OC)c1OC ZINC000101025575 554563551 /nfs/dbraw/zinc/56/35/51/554563551.db2.gz CGHMBMJQQSKYRO-IVCQMTBJSA-N 0 0 561.689 5.468 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101029400 554564615 /nfs/dbraw/zinc/56/46/15/554564615.db2.gz CEDHVXMBSQRJTQ-OCBJUFRSSA-N 0 0 512.650 6.785 50 30 KKEARN Cc1ccc(S(=O)(=O)OCC23CC=CCC2(COS(=O)(=O)c2ccc(C)cc2)CC=CC3)cc1 ZINC000101042838 554568029 /nfs/dbraw/zinc/56/80/29/554568029.db2.gz WQJKLNMGDZGGLP-UHFFFAOYSA-N 0 0 502.654 5.087 50 30 KKEARN CC(C)(C)NC1=C(C(=O)c2ccccc2)N(CC(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccccc21 ZINC000101064775 554572642 /nfs/dbraw/zinc/57/26/42/554572642.db2.gz UOVVWPINGKSTMV-UHFFFAOYSA-N 0 0 553.478 5.276 50 30 KKEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069832 554574286 /nfs/dbraw/zinc/57/42/86/554574286.db2.gz NGSANCGIXHQCSV-MOBKVPTQSA-N 0 0 511.803 5.795 50 30 KKEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nn3[C@H]2c2ccc(Br)cc2)C1 ZINC000101071486 554575673 /nfs/dbraw/zinc/57/56/73/554575673.db2.gz FPTPRRWFGYECFJ-NRFANRHFSA-N 0 0 540.443 5.899 50 30 KKEARN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000101071756 554575930 /nfs/dbraw/zinc/57/59/30/554575930.db2.gz SWYXFBNEVMGQHO-FBHDLOMBSA-N 0 0 569.247 7.515 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072829 554576564 /nfs/dbraw/zinc/57/65/64/554576564.db2.gz ARURALXKMGMNSH-ZHHPLPSFSA-N 0 0 563.429 5.765 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101514 554638836 /nfs/dbraw/zinc/63/88/36/554638836.db2.gz OYMKBCJPRIGTDE-ZHHPLPSFSA-N 0 0 563.429 5.765 50 30 KKEARN COc1ccc([C@@H]2c3c4nc(CO/N=C(/C)c5ccc(C)cc5)nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101105274 554639921 /nfs/dbraw/zinc/63/99/21/554639921.db2.gz BZIKUWKWPBQLIA-WTGPFAPHSA-N 0 0 537.620 5.550 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1C ZINC000101130099 554649143 /nfs/dbraw/zinc/64/91/43/554649143.db2.gz MPWQOOHCQCPLND-FUFPDLRRSA-N 0 0 537.710 7.375 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCCCC)C2=O)cc1C ZINC000101130090 554649146 /nfs/dbraw/zinc/64/91/46/554649146.db2.gz ATPCFFKWBPXIHS-SGWCAAJKSA-N 0 0 545.774 7.974 50 30 KKEARN Cc1ccc(S(=O)(=O)O[C@H]2[C@H](OCc3ccccc3)OC[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000101137119 554652062 /nfs/dbraw/zinc/65/20/62/554652062.db2.gz KHNVYKHXMVIBEJ-UYEZAFAQSA-N 0 0 574.695 5.813 50 30 KKEARN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CO/N=C(/C)c5ccccc5)nc4c32)cc1 ZINC000101160874 554659832 /nfs/dbraw/zinc/65/98/32/554659832.db2.gz YPNLMPZSMWRGIR-VYVLKNFJSA-N 0 0 527.584 6.513 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccccc3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000101170822 554661778 /nfs/dbraw/zinc/66/17/78/554661778.db2.gz XMQRRHUTFAIZLE-HHHXNRCGSA-N 0 0 533.650 5.057 50 30 KKEARN Cc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(SCC#N)n(CCc3ccccc3)c(=O)c12 ZINC000101180104 554666598 /nfs/dbraw/zinc/66/65/98/554666598.db2.gz KSVWTCTXMCJUSE-UHFFFAOYSA-N 0 0 528.581 5.896 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)N(Cc1ccc(Cl)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1Cl ZINC000101184802 554668894 /nfs/dbraw/zinc/66/88/94/554668894.db2.gz JQVDTTKGKRPNBT-UHFFFAOYSA-N 0 0 542.934 8.533 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000101194479 554671796 /nfs/dbraw/zinc/67/17/96/554671796.db2.gz GYTHDJKLFPWATA-KMRXNPHXSA-N 0 0 537.678 5.367 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000101194665 554671822 /nfs/dbraw/zinc/67/18/22/554671822.db2.gz SKEYCVBZIHKINN-RCRUUEGKSA-N 0 0 549.664 5.816 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)ccc1OC ZINC000101204441 554674382 /nfs/dbraw/zinc/67/43/82/554674382.db2.gz RBYRRPHNLYZDEI-GDJIYFAZSA-N 0 0 584.507 6.180 50 30 KKEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000101204451 554674396 /nfs/dbraw/zinc/67/43/96/554674396.db2.gz YXQYFFBBVLTWIJ-WRONEBCDSA-N 0 0 628.560 6.579 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000101204549 554674582 /nfs/dbraw/zinc/67/45/82/554674582.db2.gz RDRDQDBHKRTBIC-MYUZEXMDSA-N 0 0 616.505 5.122 50 30 KKEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101204520 554674585 /nfs/dbraw/zinc/67/45/85/554674585.db2.gz RCZNHGCSIJHFET-HMILPKGGSA-N 0 0 600.506 5.416 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000101204709 554674723 /nfs/dbraw/zinc/67/47/23/554674723.db2.gz FPQGSJRLDYYUCE-XRHLQHRESA-N 0 0 616.505 5.122 50 30 KKEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1OCc1ccccc1 ZINC000101204812 554674938 /nfs/dbraw/zinc/67/49/38/554674938.db2.gz QCNTUMCXBXJXGV-INJOXJOKSA-N 0 0 567.682 6.598 50 30 KKEARN C=CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)C(=O)c1c(C)c(C(=O)OCC)n(C)c1C ZINC000101208450 554677717 /nfs/dbraw/zinc/67/77/17/554677717.db2.gz YVFOLJBUXDRDER-HNNXBMFYSA-N 0 0 532.481 5.756 50 30 KKEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000101210057 554678731 /nfs/dbraw/zinc/67/87/31/554678731.db2.gz ZBXIOABUTDMWOY-UHFFFAOYSA-N 0 0 538.044 5.526 50 30 KKEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)c1cccc(OC)c1 ZINC000101210232 554679023 /nfs/dbraw/zinc/67/90/23/554679023.db2.gz VQQOWQICOKCSDK-UHFFFAOYSA-N 0 0 531.012 5.477 50 30 KKEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)c1ccccc1Cl ZINC000101210458 554679034 /nfs/dbraw/zinc/67/90/34/554679034.db2.gz GNTVOLQYPUKFNW-UHFFFAOYSA-N 0 0 552.078 5.441 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cccc(OCc3ccccc3)c2)cc1OC ZINC000101212696 554679781 /nfs/dbraw/zinc/67/97/81/554679781.db2.gz NXTXJLYATBYHFJ-SDZGCHGRSA-N 0 0 615.726 7.388 50 30 KKEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)ccc1OC ZINC000101212645 554679785 /nfs/dbraw/zinc/67/97/85/554679785.db2.gz OBVILJUOKJDDBH-HMILPKGGSA-N 0 0 616.574 6.133 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000101212731 554679810 /nfs/dbraw/zinc/67/98/10/554679810.db2.gz GFFVWMUFOXNOCM-UXCMTWRGSA-N 0 0 611.735 6.613 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101212838 554679973 /nfs/dbraw/zinc/67/99/73/554679973.db2.gz FEOGBZAYYTXYSW-PRAQEBQASA-N 0 0 610.545 6.712 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1OC ZINC000101212802 554680028 /nfs/dbraw/zinc/68/00/28/554680028.db2.gz BSGSUWRYXDBSPH-HMILPKGGSA-N 0 0 630.532 5.425 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101218083 554685248 /nfs/dbraw/zinc/68/52/48/554685248.db2.gz DZRDBDSDWREQQL-GJBXTBEHSA-N 0 0 603.712 6.265 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)[C@H]3c2cc(Br)ccc2OC)cc1OC ZINC000101218339 554685492 /nfs/dbraw/zinc/68/54/92/554685492.db2.gz WTALXVWVVHEWKK-AFJIDDCJSA-N 0 0 614.533 5.805 50 30 KKEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000101218474 554685619 /nfs/dbraw/zinc/68/56/19/554685619.db2.gz QBZBMODZJMGRAM-HHHXNRCGSA-N 0 0 538.735 5.562 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccc(O)cc2)cc1OC ZINC000101218584 554685686 /nfs/dbraw/zinc/68/56/86/554685686.db2.gz OUOFPMDRCMXSST-IPBJYNAHSA-N 0 0 555.627 5.393 50 30 KKEARN COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1O ZINC000101218545 554685689 /nfs/dbraw/zinc/68/56/89/554685689.db2.gz RQCMAQLFZPGHAM-JIYROHSKSA-N 0 0 585.653 5.402 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000101220698 554686832 /nfs/dbraw/zinc/68/68/32/554686832.db2.gz USAYIPKJDYEBOI-QNLPTKCRSA-N 0 0 607.700 5.358 50 30 KKEARN C=CCN(C(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000101220949 554687050 /nfs/dbraw/zinc/68/70/50/554687050.db2.gz QGHBTGFPYUDIOD-VWNXMTODSA-N 0 0 550.684 5.619 50 30 KKEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(/C=C/c2ccccc2)cc1 ZINC000101226017 554688738 /nfs/dbraw/zinc/68/87/38/554688738.db2.gz KJWVBXZHQAYJCP-PIRMSVBHSA-N 0 0 511.672 7.026 50 30 KKEARN CCCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S ZINC000101236136 554690747 /nfs/dbraw/zinc/69/07/47/554690747.db2.gz UEEDDRJCAYRYOA-CJSSZYOBSA-N 0 0 536.723 5.320 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)NCCCc3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237548 554692208 /nfs/dbraw/zinc/69/22/08/554692208.db2.gz JVYSSBPPHPEVNX-SQHAQQRYSA-N 0 0 568.640 5.218 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(C)c3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000101237854 554692378 /nfs/dbraw/zinc/69/23/78/554692378.db2.gz PHEKOYTZOQPBRI-UHSQPCAPSA-N 0 0 555.078 5.555 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276817 554703244 /nfs/dbraw/zinc/70/32/44/554703244.db2.gz MMAKXGFXONHFFK-DNNDWWBDSA-N 0 0 622.699 6.323 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276796 554703338 /nfs/dbraw/zinc/70/33/38/554703338.db2.gz BGIIRRBXPGSAHO-FZIYRNTBSA-N 0 0 616.692 5.708 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277740 554704143 /nfs/dbraw/zinc/70/41/43/554704143.db2.gz UAGWFEVOYNZJES-NXLSWJSLSA-N 0 0 560.628 5.315 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101277776 554704175 /nfs/dbraw/zinc/70/41/75/554704175.db2.gz CPNBFJRSCRWHMF-MOBKVPTQSA-N 0 0 518.591 5.046 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000101278333 554704897 /nfs/dbraw/zinc/70/48/97/554704897.db2.gz GHKBFIIPGICHNS-YMMFOPJESA-N 0 0 560.628 5.143 50 30 KKEARN C=CCOc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)N=C1C ZINC000101284946 554705721 /nfs/dbraw/zinc/70/57/21/554705721.db2.gz ZLXKCWOZKORNMO-OVCLIPMQSA-N 0 0 545.058 6.889 50 30 KKEARN Cc1ccc(C)c(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000101292469 554709121 /nfs/dbraw/zinc/70/91/21/554709121.db2.gz JOAMSYVIZHLTNA-QFIPXVFZSA-N 0 0 540.516 7.186 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000101293832 554710374 /nfs/dbraw/zinc/71/03/74/554710374.db2.gz IBIVLBGPLXQDSM-RXDXAXPSSA-N 0 0 540.641 6.421 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294259 554710852 /nfs/dbraw/zinc/71/08/52/554710852.db2.gz DQQNPDMITVQYGI-LLAWDOGUSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCc2ccccc2)cc1OCC ZINC000101310199 554717080 /nfs/dbraw/zinc/71/70/80/554717080.db2.gz VGWOQQFMNLPLFT-WENCHWOGSA-N 0 0 539.628 5.638 50 30 KKEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310236 554717215 /nfs/dbraw/zinc/71/72/15/554717215.db2.gz DCHFWOOTLYCADW-RFAFYKRUSA-N 0 0 574.655 5.567 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310270 554717235 /nfs/dbraw/zinc/71/72/35/554717235.db2.gz UAKRJNWZHAOXPN-LQRKZSIOSA-N 0 0 603.096 6.863 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310263 554717363 /nfs/dbraw/zinc/71/73/63/554717363.db2.gz UAKRJNWZHAOXPN-JOMJOIQHSA-N 0 0 603.096 6.863 50 30 KKEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313714 554722175 /nfs/dbraw/zinc/72/21/75/554722175.db2.gz ZVSOOXGVXUUVFR-JVJOXMINSA-N 0 0 538.625 6.119 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313754 554722198 /nfs/dbraw/zinc/72/21/98/554722198.db2.gz DKLQAMORAQPBON-LLAWDOGUSA-N 0 0 554.624 5.819 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313899 554722482 /nfs/dbraw/zinc/72/24/82/554722482.db2.gz DWWUSAYEPIEKOY-RXDXAXPSSA-N 0 0 554.624 5.875 50 30 KKEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101316538 554723541 /nfs/dbraw/zinc/72/35/41/554723541.db2.gz UWQIMHXEIRGFHI-CJJGVWJISA-N 0 0 542.613 5.813 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101318678 554725971 /nfs/dbraw/zinc/72/59/71/554725971.db2.gz AWQGCAORDVFYKY-HATVSKDLSA-N 0 0 552.630 6.233 50 30 KKEARN C=CCc1cccc([C@@H]2OC(c3cc(Br)ccc3OCc3ccccc3)=NN2C(C)=O)c1OC(C)=O ZINC000101332816 554733856 /nfs/dbraw/zinc/73/38/56/554733856.db2.gz CBZUFFPMAUQDEY-NDEPHWFRSA-N 0 0 549.421 5.921 50 30 KKEARN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000101360001 554742056 /nfs/dbraw/zinc/74/20/56/554742056.db2.gz YTAIVUBTGUNCKF-UHFFFAOYSA-N 0 0 555.997 7.019 50 30 KKEARN C=CCn1c(SCc2ccc(-c3csnn3)cc2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101365020 554743557 /nfs/dbraw/zinc/74/35/57/554743557.db2.gz DYXFZLVIPZXNDJ-UHFFFAOYSA-N 0 0 608.749 7.183 50 30 KKEARN C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367839 554744235 /nfs/dbraw/zinc/74/42/35/554744235.db2.gz IOMVPYXJNXOTNZ-UHFFFAOYSA-N 0 0 603.542 7.427 50 30 KKEARN C=CCn1c(SCc2cccc(F)c2F)nnc1-c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000101367861 554744239 /nfs/dbraw/zinc/74/42/39/554744239.db2.gz AHDVCTRUUQGDIP-UHFFFAOYSA-N 0 0 560.626 6.943 50 30 KKEARN N#CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000101373155 554745127 /nfs/dbraw/zinc/74/51/27/554745127.db2.gz BPYURBSTCWJQFU-CXNUKBDRSA-N 0 0 586.047 6.224 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccccc3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000101392048 554755720 /nfs/dbraw/zinc/75/57/20/554755720.db2.gz CITBYLAMACLEMX-HHHXNRCGSA-N 0 0 501.652 5.821 50 30 KKEARN COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(I)c1OCc1ccccc1C#N ZINC000101460033 554777947 /nfs/dbraw/zinc/77/79/47/554777947.db2.gz KLJGJRCAXWUEIA-MEZWRCEISA-N 0 0 618.456 6.055 50 30 KKEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1OCC ZINC000101484745 554785378 /nfs/dbraw/zinc/78/53/78/554785378.db2.gz VAOHJVALNVOWLE-PRUOFZCOSA-N 0 0 587.101 6.592 50 30 KKEARN COc1ccc(C2=C(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000101488509 554785618 /nfs/dbraw/zinc/78/56/18/554785618.db2.gz LMGJCXHICAQOTG-QXQYGCGCSA-N 0 0 571.677 7.148 50 30 KKEARN COc1cc(/C=N/c2cccc3c(/N=C/c4cc(OC)c(OC)cc4[N+](=O)[O-])cccc23)c([N+](=O)[O-])cc1OC ZINC000101490986 554785823 /nfs/dbraw/zinc/78/58/23/554785823.db2.gz MIZSDCUQIHDGCB-CMNXJCJSSA-N 0 0 544.520 6.192 50 30 KKEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 ZINC000101500836 554788475 /nfs/dbraw/zinc/78/84/75/554788475.db2.gz PTYMOIWIZBUHBI-UBOZLPQGSA-N 0 0 548.082 7.641 50 30 KKEARN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3cccnc3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000101531463 554794721 /nfs/dbraw/zinc/79/47/21/554794721.db2.gz YNYQPUQDWQUDPR-NLYIKCQBSA-N 0 0 596.152 8.245 50 30 KKEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000101883671 554846222 /nfs/dbraw/zinc/84/62/22/554846222.db2.gz SLSYXKGZRCNIRU-JAIQZWGSSA-N 0 0 518.353 6.511 50 30 KKEARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)cc3N2)cc1OC ZINC000101958249 554853329 /nfs/dbraw/zinc/85/33/29/554853329.db2.gz PWNONGKAAGCGHV-YOKWENHESA-N 0 0 545.587 5.871 50 30 KKEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000101999120 554865557 /nfs/dbraw/zinc/86/55/57/554865557.db2.gz BHMJNYOQZMPGCG-UHFFFAOYSA-N 0 0 527.625 5.888 50 30 KKEARN COc1cc([C@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000102051927 554871476 /nfs/dbraw/zinc/87/14/76/554871476.db2.gz OGCDCQAKQZHZTK-DFXYEROKSA-N 0 0 568.630 5.307 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]n(-c4ccccc4)c(=O)c2[C@H]3c2ccc(Br)cc2)cc1OC ZINC000102052600 554872003 /nfs/dbraw/zinc/87/20/03/554872003.db2.gz NPMBVPAHDNCUHF-SIBVEZHUSA-N 0 0 572.459 5.904 50 30 KKEARN CCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000102054802 554872587 /nfs/dbraw/zinc/87/25/87/554872587.db2.gz GYYWXARIKCAUIW-PSXMRANNSA-N 0 0 509.778 10.441 50 30 KKEARN CCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000102054809 554872687 /nfs/dbraw/zinc/87/26/87/554872687.db2.gz GYYWXARIKCAUIW-BHVANESWSA-N 0 0 509.778 10.441 50 30 KKEARN Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)no1 ZINC000102056964 554872837 /nfs/dbraw/zinc/87/28/37/554872837.db2.gz XYACUXWZXWLNHE-UHFFFAOYSA-N 0 0 510.609 5.565 50 30 KKEARN O=C(Nc1cccc2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057050 554873076 /nfs/dbraw/zinc/87/30/76/554873076.db2.gz XNFAXZCJDGDZLD-UHFFFAOYSA-N 0 0 555.693 7.422 50 30 KKEARN O=C(Nc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000102057014 554873135 /nfs/dbraw/zinc/87/31/35/554873135.db2.gz NLCFAUADFOZPJJ-UHFFFAOYSA-N 0 0 540.078 6.922 50 30 KKEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076479 554874517 /nfs/dbraw/zinc/87/45/17/554874517.db2.gz SVXQBIOFEBWELY-JLPDLQRYSA-N 0 0 501.579 5.650 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076512 554874630 /nfs/dbraw/zinc/87/46/30/554874630.db2.gz YAAOEFCXRQSSJY-SMLVDECESA-N 0 0 582.722 7.288 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102076771 554875050 /nfs/dbraw/zinc/87/50/50/554875050.db2.gz PZUCUSUHDQSCFK-CJJGVWJISA-N 0 0 503.551 5.098 50 30 KKEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000102076723 554875143 /nfs/dbraw/zinc/87/51/43/554875143.db2.gz WZXJOAAHVFSGKY-FGEDTZIGSA-N 0 0 512.606 5.452 50 30 KKEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cc(Cl)ccc3OC)N(C3CCCCC3)C1=O)S2 ZINC000102152853 554889692 /nfs/dbraw/zinc/88/96/92/554889692.db2.gz JCOUTDWJSCKFON-SMTACHQSSA-N 0 0 516.088 6.664 50 30 KKEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102168918 554890948 /nfs/dbraw/zinc/89/09/48/554890948.db2.gz HNPJSUSXEXTXKE-DFXXOVSGSA-N 0 0 512.650 6.344 50 30 KKEARN COc1ccc(/C=N\NS(=O)(=O)c2ccc(Br)cc2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000102178186 554893361 /nfs/dbraw/zinc/89/33/61/554893361.db2.gz ODOBSHRFJXXBQB-GATIEOLUSA-N 0 0 557.442 5.098 50 30 KKEARN CCCCCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000102210539 554896566 /nfs/dbraw/zinc/89/65/66/554896566.db2.gz OVAZGLYNRGSMGT-UHFFFAOYSA-N 0 0 549.733 8.510 50 30 KKEARN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1c2ccccc2oc1C(=O)OCC ZINC000102275420 554906441 /nfs/dbraw/zinc/90/64/41/554906441.db2.gz UUWFHJIDQFJFSF-UHFFFAOYSA-N 0 0 548.665 6.129 50 30 KKEARN O=C(/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nnc(-c2ccccc2)o1)c1cccc(Br)c1 ZINC000102302818 554908587 /nfs/dbraw/zinc/90/85/87/554908587.db2.gz QUKTWVKKEFQZMJ-SGWCAAJKSA-N 0 0 548.249 7.207 50 30 KKEARN CCCCCCCCCCCCCCCCCCNC(=S)N/C=C1\C(=O)Oc2ccccc2C1=O ZINC000102308170 554909451 /nfs/dbraw/zinc/90/94/51/554909451.db2.gz NHRINBDSTWWGNA-BZZOAKBMSA-N 0 0 500.749 7.398 50 30 KKEARN CCCCCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000102309190 554909697 /nfs/dbraw/zinc/90/96/97/554909697.db2.gz NJYKBGJKTFTXRY-MMBXUKERSA-N 0 0 569.727 5.151 50 30 KKEARN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccc(N)cc2)n(C)c2ccccc21 ZINC000102313595 554910293 /nfs/dbraw/zinc/91/02/93/554910293.db2.gz JZXPGSXJROGSDX-VBMGMRCRSA-N 0 0 552.829 7.644 50 30 KKEARN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)ccc1OC(C)C ZINC000102377732 554918219 /nfs/dbraw/zinc/91/82/19/554918219.db2.gz LLONTTCDKRZVKP-VEZPTTSMSA-N 0 0 534.612 6.591 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000102414275 554924505 /nfs/dbraw/zinc/92/45/05/554924505.db2.gz SICDACVOMNKYQY-GPOMZPHUSA-N 0 0 605.841 7.883 50 30 KKEARN O=C(Nc1nc(-c2cccc3ccccc32)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102426891 554925992 /nfs/dbraw/zinc/92/59/92/554925992.db2.gz OFFMZLMHDIWARH-UHFFFAOYSA-N 0 0 572.346 7.641 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102432529 554927287 /nfs/dbraw/zinc/92/72/87/554927287.db2.gz ALBFQCFCZDGHQE-ONQGDUAMSA-N 0 0 516.594 5.295 50 30 KKEARN CCN=C(Nc1ccc(Cl)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000102436303 554928288 /nfs/dbraw/zinc/92/82/88/554928288.db2.gz BZKCGFANOSMUNH-MRXNPFEDSA-N 0 0 501.233 5.418 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491592 554939455 /nfs/dbraw/zinc/93/94/55/554939455.db2.gz OEZVIKDNAAWGOC-HOGKFDNTSA-N 0 0 501.520 5.148 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102493404 554939625 /nfs/dbraw/zinc/93/96/25/554939625.db2.gz SDCVIHIZVPKSJE-MWCANZRFSA-N 0 0 518.407 5.437 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102496206 554940618 /nfs/dbraw/zinc/94/06/18/554940618.db2.gz SBBVCXPLSXAVRR-IAMBOQNYSA-N 0 0 536.631 5.627 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102496413 554940782 /nfs/dbraw/zinc/94/07/82/554940782.db2.gz LCMYHOACSHYIPX-UUALVTFQSA-N 0 0 546.620 5.217 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496660 554940823 /nfs/dbraw/zinc/94/08/23/554940823.db2.gz WEIULRDNBMSTQT-AYWGPLOBSA-N 0 0 521.013 7.013 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102497404 554941355 /nfs/dbraw/zinc/94/13/55/554941355.db2.gz FXTVAIITJVUOSZ-IUKMQXEJSA-N 0 0 560.628 5.656 50 30 KKEARN O=C(CN1C(C(=O)c2ccccc2)=C(Nc2ccc(Cl)cc2)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000102503407 554944044 /nfs/dbraw/zinc/94/40/44/554944044.db2.gz XBHYMMBHUCVBID-BHYVGNSXSA-N 0 0 574.014 6.183 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505736 554944614 /nfs/dbraw/zinc/94/46/14/554944614.db2.gz GQMPXPGLADPHRC-AYWGPLOBSA-N 0 0 520.994 5.902 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102505360 554944621 /nfs/dbraw/zinc/94/46/21/554944621.db2.gz GRCGAXCYCMRQSA-ZHHPLPSFSA-N 0 0 516.575 5.257 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102508683 554945775 /nfs/dbraw/zinc/94/57/75/554945775.db2.gz LJVZTBNQUKWDMJ-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102511221 554946306 /nfs/dbraw/zinc/94/63/06/554946306.db2.gz ZTUVTZMLQOYKAF-AYWGPLOBSA-N 0 0 549.446 6.392 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102514138 554947184 /nfs/dbraw/zinc/94/71/84/554947184.db2.gz XITMPCCVTWKNOU-IUKMQXEJSA-N 0 0 560.628 5.656 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102517821 554948745 /nfs/dbraw/zinc/94/87/45/554948745.db2.gz WNCYMIDKVXSZLW-SZYGQJGOSA-N 0 0 642.675 9.369 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2cccc(Br)c2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102521355 554949719 /nfs/dbraw/zinc/94/97/19/554949719.db2.gz LCEABNNGCDGOOQ-VEZPTTSMSA-N 0 0 627.620 9.260 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102524027 554950661 /nfs/dbraw/zinc/95/06/61/554950661.db2.gz LBSZLODVYNTKTH-DHJMZRGKSA-N 0 0 510.659 7.145 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102524037 554950892 /nfs/dbraw/zinc/95/08/92/554950892.db2.gz LBSZLODVYNTKTH-GAPOMRBKSA-N 0 0 510.659 7.145 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102526559 554952150 /nfs/dbraw/zinc/95/21/50/554952150.db2.gz ZVDZRGJZTAKNGG-DFXXOVSGSA-N 0 0 531.605 5.049 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102527087 554952523 /nfs/dbraw/zinc/95/25/23/554952523.db2.gz OHQWVWAYJYBHEI-CIKQMSCWSA-N 0 0 504.380 5.394 50 30 KKEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102527129 554952553 /nfs/dbraw/zinc/95/25/53/554952553.db2.gz YSVGMYYKAPYGGU-UVDRRRQGSA-N 0 0 535.021 6.210 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102530152 554953654 /nfs/dbraw/zinc/95/36/54/554953654.db2.gz RKSPUQDQZVIIQS-MOBKVPTQSA-N 0 0 520.607 5.134 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102531949 554954090 /nfs/dbraw/zinc/95/40/90/554954090.db2.gz VDXJYORLDFEECC-WENCHWOGSA-N 0 0 557.643 5.446 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102532410 554954473 /nfs/dbraw/zinc/95/44/73/554954473.db2.gz HQUFSXRBMCOSMU-GYBOJBDRSA-N 0 0 531.608 6.467 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102532892 554954721 /nfs/dbraw/zinc/95/47/21/554954721.db2.gz USKBAAOPQFIFLB-UVDRRRQGSA-N 0 0 502.567 6.077 50 30 KKEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000102533168 554954825 /nfs/dbraw/zinc/95/48/25/554954825.db2.gz ZRBSFDMRVFWRQF-NHFXJNLRSA-N 0 0 535.225 5.464 50 30 KKEARN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)cc1 ZINC000102536925 554955983 /nfs/dbraw/zinc/95/59/83/554955983.db2.gz BDNBYRUXHCGHQT-CJJGVWJISA-N 0 0 513.619 5.344 50 30 KKEARN COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541033 554957397 /nfs/dbraw/zinc/95/73/97/554957397.db2.gz OECHVEALSNCVSJ-ZHHPLPSFSA-N 0 0 550.564 5.096 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547274 554959687 /nfs/dbraw/zinc/95/96/87/554959687.db2.gz ZVUXVOHNCRCTPF-JVJOXMINSA-N 0 0 596.661 5.767 50 30 KKEARN CC(C)(C)c1cc(/N=C/c2cccc(/C=N/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1 ZINC000102547782 554959915 /nfs/dbraw/zinc/95/99/15/554959915.db2.gz CZDFNXURKGLJAH-DITNJDIQSA-N 0 0 540.792 9.789 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102548395 554960281 /nfs/dbraw/zinc/96/02/81/554960281.db2.gz VQNKEPRGKMLWSR-BYHJQNISSA-N 0 0 612.748 7.440 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102548425 554960289 /nfs/dbraw/zinc/96/02/89/554960289.db2.gz BTXSXCSASFVQMM-HAQIDCBSSA-N 0 0 528.586 5.350 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102549120 554960834 /nfs/dbraw/zinc/96/08/34/554960834.db2.gz DJONHHTVOUCUNB-NXLSWJSLSA-N 0 0 514.559 5.093 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102549918 554961309 /nfs/dbraw/zinc/96/13/09/554961309.db2.gz DTHIODGYPLTDIV-GRBPGWBESA-N 0 0 600.693 6.442 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549858 554961327 /nfs/dbraw/zinc/96/13/27/554961327.db2.gz MYUVHRGEGQOLGL-CKXNDDTFSA-N 0 0 572.639 5.662 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551295 554961937 /nfs/dbraw/zinc/96/19/37/554961937.db2.gz SWPJJPNAAMDUMO-UVDRRRQGSA-N 0 0 533.005 5.964 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102553028 554963171 /nfs/dbraw/zinc/96/31/71/554963171.db2.gz SHFMUUYGXZQQLT-SZYGQJGOSA-N 0 0 579.778 8.312 50 30 KKEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000102554951 554963701 /nfs/dbraw/zinc/96/37/01/554963701.db2.gz VFAUDWWINUHAET-YDZMPMGISA-N 0 0 547.007 5.799 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554115 554963832 /nfs/dbraw/zinc/96/38/32/554963832.db2.gz BOOHOOQDZFWIQN-FPRSLYQBSA-N 0 0 589.113 7.468 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102555440 554963972 /nfs/dbraw/zinc/96/39/72/554963972.db2.gz DWCMJODTUSFBCY-VGZNNGDKSA-N 0 0 574.658 7.347 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102556442 554964690 /nfs/dbraw/zinc/96/46/90/554964690.db2.gz WQBLEUNPRHFSTC-DRWOAZQASA-N 0 0 510.615 6.171 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102556908 554964867 /nfs/dbraw/zinc/96/48/67/554964867.db2.gz GBQQPLJVFAPVAL-IUKMQXEJSA-N 0 0 514.603 5.892 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102559694 554967153 /nfs/dbraw/zinc/96/71/53/554967153.db2.gz PUMJZQMHRNTNPD-IUKMQXEJSA-N 0 0 528.586 5.401 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561017 554967880 /nfs/dbraw/zinc/96/78/80/554967880.db2.gz HYDFWZPIXGYWGM-RXDXAXPSSA-N 0 0 556.640 6.099 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000102560567 554968074 /nfs/dbraw/zinc/96/80/74/554968074.db2.gz BEJXWNGATBVZQB-TXTDGAROSA-N 0 0 544.604 5.052 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102561664 554968225 /nfs/dbraw/zinc/96/82/25/554968225.db2.gz LOTMYGWIBBGJJT-JVJOXMINSA-N 0 0 620.724 6.156 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102562195 554968668 /nfs/dbraw/zinc/96/86/68/554968668.db2.gz HEBCWFCQRZLVNH-WYNCGZBVSA-N 0 0 554.668 6.733 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562107 554968674 /nfs/dbraw/zinc/96/86/74/554968674.db2.gz JDKJQRWSMZONRS-IZSGBISHSA-N 0 0 633.166 7.723 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102563035 554968860 /nfs/dbraw/zinc/96/88/60/554968860.db2.gz BYXTUXUEWKTTQK-AYWGPLOBSA-N 0 0 534.634 5.660 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563440 554969144 /nfs/dbraw/zinc/96/91/44/554969144.db2.gz ASSWTIKYSWKHEJ-FPRSLYQBSA-N 0 0 583.666 5.774 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102564315 554969429 /nfs/dbraw/zinc/96/94/29/554969429.db2.gz PZNROVYMGXBGRG-XKHRQMKWSA-N 0 0 529.637 5.288 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102578598 554971797 /nfs/dbraw/zinc/97/17/97/554971797.db2.gz LJAHZAUTEZQPBL-YYXRCVDTSA-N 0 0 558.612 5.359 50 30 KKEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581823 554972826 /nfs/dbraw/zinc/97/28/26/554972826.db2.gz KAPDSUHUCHCXDB-WNQPQFFOSA-N 0 0 539.613 5.375 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000102621110 554986912 /nfs/dbraw/zinc/98/69/12/554986912.db2.gz NXHJGILJCXUXGQ-KFLIVHAJSA-N 0 0 531.781 9.206 50 30 KKEARN O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)C=Cc1ccccc1 ZINC000102643118 554991037 /nfs/dbraw/zinc/99/10/37/554991037.db2.gz ONEPSVREHUGVOP-MDLVTALHSA-N 0 0 552.324 5.382 50 30 KKEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CCC)CCC)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000102646446 554992725 /nfs/dbraw/zinc/99/27/25/554992725.db2.gz QIXPUZJAPDLDTD-IGKIAQTJSA-N 0 0 568.640 5.314 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2cccnc2)ccc1OCCC(C)C ZINC000102646478 554992728 /nfs/dbraw/zinc/99/27/28/554992728.db2.gz JHIBLDBLBOBGFG-RWMNMRIUSA-N 0 0 556.659 5.851 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102648499 554994085 /nfs/dbraw/zinc/99/40/85/554994085.db2.gz HQUFSXRBMCOSMU-FFMCZVIESA-N 0 0 531.608 6.467 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCOC)ccc1OCc1ccccc1 ZINC000102648993 554994539 /nfs/dbraw/zinc/99/45/39/554994539.db2.gz VDXJYORLDFEECC-ICQXDZJJSA-N 0 0 557.643 5.446 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102651923 554996228 /nfs/dbraw/zinc/99/62/28/554996228.db2.gz HDYTVSCYVDCQLG-KVBNAJLESA-N 0 0 598.721 7.050 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102653158 554997087 /nfs/dbraw/zinc/99/70/87/554997087.db2.gz VRAWDZRFMYEJGL-APJFQNNPSA-N 0 0 602.712 7.442 50 30 KKEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102653917 554997455 /nfs/dbraw/zinc/99/74/55/554997455.db2.gz WQBLEUNPRHFSTC-VWYMMTOUSA-N 0 0 510.615 6.171 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102654717 554997745 /nfs/dbraw/zinc/99/77/45/554997745.db2.gz IHLZJUIYRSSNBV-WKUSSTJHSA-N 0 0 570.667 6.434 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102655530 554998384 /nfs/dbraw/zinc/99/83/84/554998384.db2.gz PAABTJQOSWTHBD-JFTLGNCFSA-N 0 0 530.577 5.784 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102655713 554998661 /nfs/dbraw/zinc/99/86/61/554998661.db2.gz ICJBSHULJCAZFF-QMNXYOJKSA-N 0 0 598.721 7.132 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102655898 554998708 /nfs/dbraw/zinc/99/87/08/554998708.db2.gz UXGRPSNYHSLLJZ-LOTNQUKISA-N 0 0 604.684 6.834 50 30 KKEARN CC(C)(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000102656221 554999023 /nfs/dbraw/zinc/99/90/23/554999023.db2.gz NAVOUIBTHXWYGQ-XZWHSSHBSA-N 0 0 506.646 7.470 50 30 KKEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000102659979 555000100 /nfs/dbraw/zinc/00/01/00/555000100.db2.gz ZRFWXGRKEDYTMN-CRQXQDGGSA-N 0 0 546.579 6.992 50 30 KKEARN N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000102667793 555001975 /nfs/dbraw/zinc/00/19/75/555001975.db2.gz IAHALCDIHDORFW-XEIRMHHASA-N 0 0 603.443 5.516 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674405 555003553 /nfs/dbraw/zinc/00/35/53/555003553.db2.gz SXINAUJAQVTOLW-IOUQRVAPSA-N 0 0 524.598 5.672 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102691132 555008125 /nfs/dbraw/zinc/00/81/25/555008125.db2.gz ILMMBKFOOREJHO-NPJIAGGLSA-N 0 0 514.603 6.028 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102692139 555008600 /nfs/dbraw/zinc/00/86/00/555008600.db2.gz HLGXNAGMLZAFIS-KQAPWQHSSA-N 0 0 544.629 5.874 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102697651 555012085 /nfs/dbraw/zinc/01/20/85/555012085.db2.gz QLCTYZIZDQAPGO-VEZPTTSMSA-N 0 0 535.640 7.086 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000102699030 555012387 /nfs/dbraw/zinc/01/23/87/555012387.db2.gz MYNWIEIQYYQGIO-MIOXIQPJSA-N 0 0 539.584 5.806 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102699109 555012392 /nfs/dbraw/zinc/01/23/92/555012392.db2.gz AJXAEYNXIMEYTQ-DFXXOVSGSA-N 0 0 515.606 5.431 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)ccc1O ZINC000102698710 555012443 /nfs/dbraw/zinc/01/24/43/555012443.db2.gz SVDAINOTKAMSHN-DFXXOVSGSA-N 0 0 531.605 5.137 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCOC)ccc1O ZINC000102698714 555012450 /nfs/dbraw/zinc/01/24/50/555012450.db2.gz SVDAINOTKAMSHN-TXTDGAROSA-N 0 0 531.605 5.137 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102699748 555012640 /nfs/dbraw/zinc/01/26/40/555012640.db2.gz IWOFSOOXDYDWIU-TXTDGAROSA-N 0 0 506.558 5.297 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102699754 555012693 /nfs/dbraw/zinc/01/26/93/555012693.db2.gz IWOFSOOXDYDWIU-DFXXOVSGSA-N 0 0 506.558 5.297 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102703335 555013709 /nfs/dbraw/zinc/01/37/09/555013709.db2.gz QSRCBYXHVURPQA-CJJGVWJISA-N 0 0 526.658 6.846 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000102704718 555014029 /nfs/dbraw/zinc/01/40/29/555014029.db2.gz NBLLOXGXARKEKF-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102705891 555014651 /nfs/dbraw/zinc/01/46/51/555014651.db2.gz UHRJBBSIJJQEGO-NPJIAGGLSA-N 0 0 514.603 5.811 50 30 KKEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102706496 555015112 /nfs/dbraw/zinc/01/51/12/555015112.db2.gz HITNVHVKZUHGPX-IUKMQXEJSA-N 0 0 514.603 5.947 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102707126 555015346 /nfs/dbraw/zinc/01/53/46/555015346.db2.gz ZFULHIDTPGZWOL-MOBKVPTQSA-N 0 0 519.420 6.248 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707583 555015579 /nfs/dbraw/zinc/01/55/79/555015579.db2.gz SDJDTTHXULMRCK-AYWGPLOBSA-N 0 0 504.539 5.338 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102708794 555015909 /nfs/dbraw/zinc/01/59/09/555015909.db2.gz SOCYRUURAWOANG-TXTDGAROSA-N 0 0 514.622 5.098 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102709574 555016046 /nfs/dbraw/zinc/01/60/46/555016046.db2.gz LVCUJKMETFGRLY-ONQGDUAMSA-N 0 0 542.657 6.671 50 30 KKEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102711408 555016755 /nfs/dbraw/zinc/01/67/55/555016755.db2.gz JXCNNASPTPAWFU-TXTDGAROSA-N 0 0 513.634 5.940 50 30 KKEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000102712108 555017019 /nfs/dbraw/zinc/01/70/19/555017019.db2.gz DNUHIVBFSQUDDC-DFXXOVSGSA-N 0 0 513.590 5.207 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000102714190 555017909 /nfs/dbraw/zinc/01/79/09/555017909.db2.gz DIFPUCVAUUVULO-WGGXKBPPSA-N 0 0 539.584 5.806 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102713544 555017983 /nfs/dbraw/zinc/01/79/83/555017983.db2.gz YUIORIQHGXRWFU-WGGXKBPPSA-N 0 0 548.595 5.378 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102714947 555018287 /nfs/dbraw/zinc/01/82/87/555018287.db2.gz RODRGXROYRSMTK-DFXXOVSGSA-N 0 0 542.035 5.936 50 30 KKEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102715859 555018562 /nfs/dbraw/zinc/01/85/62/555018562.db2.gz PBPJTXSCKGITPX-CJJGVWJISA-N 0 0 525.630 5.923 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715774 555018689 /nfs/dbraw/zinc/01/86/89/555018689.db2.gz LAGDYVNMNZGTAK-AYWGPLOBSA-N 0 0 515.547 5.402 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102718625 555019302 /nfs/dbraw/zinc/01/93/02/555019302.db2.gz LOFQVGXSSWZMRR-IUKMQXEJSA-N 0 0 501.539 5.099 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718168 555019314 /nfs/dbraw/zinc/01/93/14/555019314.db2.gz MSDAEVDOECGXCU-AYWGPLOBSA-N 0 0 504.564 5.404 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102718711 555019730 /nfs/dbraw/zinc/01/97/30/555019730.db2.gz CTEAHIFFHSMEHT-WGGXKBPPSA-N 0 0 537.616 5.291 50 30 KKEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000102720898 555020241 /nfs/dbraw/zinc/02/02/41/555020241.db2.gz JNHHNWMXPPRBLU-UVDRRRQGSA-N 0 0 516.575 5.262 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102721673 555020409 /nfs/dbraw/zinc/02/04/09/555020409.db2.gz ASMLMQICKTUFAZ-MIOXIQPJSA-N 0 0 529.633 6.280 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102730183 555023535 /nfs/dbraw/zinc/02/35/35/555023535.db2.gz BFSHYSSWPFYOFP-SBXHHDGASA-N 0 0 516.575 5.257 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102732590 555024096 /nfs/dbraw/zinc/02/40/96/555024096.db2.gz ZJQPNKPYLOYLSU-WGGXKBPPSA-N 0 0 527.661 6.330 50 30 KKEARN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734720 555024986 /nfs/dbraw/zinc/02/49/86/555024986.db2.gz BNSGCEHIEWSPIK-MOBKVPTQSA-N 0 0 504.564 5.404 50 30 KKEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102735467 555025452 /nfs/dbraw/zinc/02/54/52/555025452.db2.gz FTGKOZRCPWOVIG-UUALVTFQSA-N 0 0 513.977 6.442 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102735398 555025550 /nfs/dbraw/zinc/02/55/50/555025550.db2.gz DLKIJDVGDQENEI-VEZPTTSMSA-N 0 0 534.612 5.990 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735595 555025785 /nfs/dbraw/zinc/02/57/85/555025785.db2.gz WOTDXPVZNGCLAU-KWBQTAPJSA-N 0 0 514.578 6.002 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735599 555025791 /nfs/dbraw/zinc/02/57/91/555025791.db2.gz WOTDXPVZNGCLAU-RKQXULEVSA-N 0 0 514.578 6.002 50 30 KKEARN COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102740713 555029795 /nfs/dbraw/zinc/02/97/95/555029795.db2.gz IWLZYVMXMDAYFU-JRWPJQGQSA-N 0 0 534.619 5.355 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746527 555039096 /nfs/dbraw/zinc/03/90/96/555039096.db2.gz PYSQJCDHJMMKCI-WNJJXGMVSA-N 0 0 559.688 5.255 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccc4c(c3)OCO4)N2[C@H]1c1cc(C)ccc1C ZINC000102748545 555042868 /nfs/dbraw/zinc/04/28/68/555042868.db2.gz UAGAHRDPZYDDOT-MHZLTWQESA-N 0 0 531.634 5.043 50 30 KKEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)Nc3ccc(F)cc3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102749431 555043719 /nfs/dbraw/zinc/04/37/19/555043719.db2.gz BGAYBAAOOABKTM-VWLOTQADSA-N 0 0 523.586 5.176 50 30 KKEARN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102767802 555055827 /nfs/dbraw/zinc/05/58/27/555055827.db2.gz GZCWSEBHFBQBQX-JCYYIGJDSA-N 0 0 511.578 5.187 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770839 555058087 /nfs/dbraw/zinc/05/80/87/555058087.db2.gz NSTLULFUDMMLLY-RKQXULEVSA-N 0 0 575.484 6.625 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770782 555058112 /nfs/dbraw/zinc/05/81/12/555058112.db2.gz VWGJZVDOQGCMJA-FSDXSRJSSA-N 0 0 508.401 5.981 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1 ZINC000102770881 555058602 /nfs/dbraw/zinc/05/86/02/555058602.db2.gz IGFZLPZHMTWSQQ-VURVUJTCSA-N 0 0 552.696 7.160 50 30 KKEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770865 555058613 /nfs/dbraw/zinc/05/86/13/555058613.db2.gz IGBOMNQGXZSGGH-HTUFKCTLSA-N 0 0 559.087 7.197 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770975 555059031 /nfs/dbraw/zinc/05/90/31/555059031.db2.gz GVNXIBLUDSRLRG-NGAXIMOQSA-N 0 0 583.735 6.904 50 30 KKEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771024 555059308 /nfs/dbraw/zinc/05/93/08/555059308.db2.gz IPRDAECSNPLPKC-WRPQUVRJSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771078 555059364 /nfs/dbraw/zinc/05/93/64/555059364.db2.gz ZVQSGAPBXAOJJI-KWBQTAPJSA-N 0 0 531.033 6.516 50 30 KKEARN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102771096 555059375 /nfs/dbraw/zinc/05/93/75/555059375.db2.gz NEUPCNMNHRUGAP-AIKCTZLLSA-N 0 0 500.551 5.694 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771122 555059710 /nfs/dbraw/zinc/05/97/10/555059710.db2.gz IGSAGWVPIMZPNS-ZTLVYLBESA-N 0 0 514.578 6.002 50 30 KKEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771409 555060411 /nfs/dbraw/zinc/06/04/11/555060411.db2.gz VMZQADAWYFPICE-DZSUXXLQSA-N 0 0 502.979 5.899 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000102771549 555060532 /nfs/dbraw/zinc/06/05/32/555060532.db2.gz WVGKVSNEQNZRAE-KPBCSQNUSA-N 0 0 502.617 5.924 50 30 KKEARN Cc1cc2c(cc1C)N[C@@H](c1ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102785000 555067258 /nfs/dbraw/zinc/06/72/58/555067258.db2.gz ZCMAJAVBRDCUQE-UNVMMQEESA-N 0 0 566.749 8.881 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(C)ccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102809041 555073996 /nfs/dbraw/zinc/07/39/96/555073996.db2.gz QQAKNWCTMAJZIV-UHFFFAOYSA-N 0 0 550.684 6.927 50 30 KKEARN N#C[C@@]12CN(c3ccc(Cl)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Cl)cc4)CN3C1=S)[C@@H]2c1ccccc1Cl ZINC000102809385 555074203 /nfs/dbraw/zinc/07/42/03/555074203.db2.gz HHKBJABBAMJMRE-OYFGVDPJSA-N 0 0 591.955 6.747 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3cc(OC)c(Cl)cc3OC)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812604 555075254 /nfs/dbraw/zinc/07/52/54/555075254.db2.gz XLIZBUJBZQDYSD-UHFFFAOYSA-N 0 0 617.127 6.981 50 30 KKEARN CCOc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000102812751 555075343 /nfs/dbraw/zinc/07/53/43/555075343.db2.gz NPQOSHRCEZCDER-UHFFFAOYSA-N 0 0 536.657 6.619 50 30 KKEARN COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102835385 555080014 /nfs/dbraw/zinc/08/00/14/555080014.db2.gz GHLAZAILGFWSHC-UHFFFAOYSA-N 0 0 516.360 5.470 50 30 KKEARN C=CCN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N ZINC000102852539 555086321 /nfs/dbraw/zinc/08/63/21/555086321.db2.gz HLWMOYAEIXTPRN-UHFFFAOYSA-N 0 0 615.744 5.799 50 30 KKEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000102856683 555088072 /nfs/dbraw/zinc/08/80/72/555088072.db2.gz PPDUIYQJGJNQLQ-KFLIVHAJSA-N 0 0 584.713 6.110 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102856942 555088300 /nfs/dbraw/zinc/08/83/00/555088300.db2.gz DZLDANQINPSPSS-SBXHHDGASA-N 0 0 530.602 5.565 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102856891 555088319 /nfs/dbraw/zinc/08/83/19/555088319.db2.gz OVHMBNTWJUZOIV-SBXHHDGASA-N 0 0 530.602 5.647 50 30 KKEARN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccc(C#N)cc1 ZINC000102857692 555088844 /nfs/dbraw/zinc/08/88/44/555088844.db2.gz HAVLFYOPVNKRDV-NRUKRWIHSA-N 0 0 507.609 7.828 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860511 555090616 /nfs/dbraw/zinc/09/06/16/555090616.db2.gz GQPQJAPXTCMWFU-MRJHHRETSA-N 0 0 522.598 5.691 50 30 KKEARN COc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102860665 555090993 /nfs/dbraw/zinc/09/09/93/555090993.db2.gz KPONMRUJQNUCBT-UBFVSLLYSA-N 0 0 550.036 5.220 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102861064 555091308 /nfs/dbraw/zinc/09/13/08/555091308.db2.gz AMNFSNAOCTYPLR-NGAXIMOQSA-N 0 0 501.579 5.794 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102861613 555091496 /nfs/dbraw/zinc/09/14/96/555091496.db2.gz MDLNDNONNFTVOO-NXLSWJSLSA-N 0 0 500.576 5.638 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102864252 555093851 /nfs/dbraw/zinc/09/38/51/555093851.db2.gz SMMOCBUOZCBPBV-QMMFTLRZSA-N 0 0 600.613 9.491 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)ccc1O ZINC000102864247 555093989 /nfs/dbraw/zinc/09/39/89/555093989.db2.gz YQBWFNHNFBWZKX-WGGXKBPPSA-N 0 0 536.584 5.305 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102864840 555094569 /nfs/dbraw/zinc/09/45/69/555094569.db2.gz ZCBVSCCKDRHQHL-TXTDGAROSA-N 0 0 525.557 5.503 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866132 555095473 /nfs/dbraw/zinc/09/54/73/555095473.db2.gz UZBHFRMYQROCAF-LLAWDOGUSA-N 0 0 556.640 6.043 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867040 555096454 /nfs/dbraw/zinc/09/64/54/555096454.db2.gz FOPJYARJLDLORN-XTUFCYCQSA-N 0 0 570.667 6.352 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867170 555096713 /nfs/dbraw/zinc/09/67/13/555096713.db2.gz UELHJSVIOGKXAE-QBTYMPIYSA-N 0 0 556.640 6.043 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102867769 555097052 /nfs/dbraw/zinc/09/70/52/555097052.db2.gz HJWDUMVFWRVYJL-ZZIWUOEGSA-N 0 0 563.473 6.619 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867961 555097298 /nfs/dbraw/zinc/09/72/98/555097298.db2.gz FQJIQSAXMSOJLR-KNZGKXHUSA-N 0 0 533.005 5.908 50 30 KKEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102867773 555097425 /nfs/dbraw/zinc/09/74/25/555097425.db2.gz HJWDUMVFWRVYJL-UVDRRRQGSA-N 0 0 563.473 6.619 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102868051 555097606 /nfs/dbraw/zinc/09/76/06/555097606.db2.gz SWTVADLJTFQIAT-OBOIKQQTSA-N 0 0 526.614 5.871 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868864 555098152 /nfs/dbraw/zinc/09/81/52/555098152.db2.gz BXSXQCURIGGYEQ-ONQGDUAMSA-N 0 0 572.639 5.881 50 30 KKEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869014 555098183 /nfs/dbraw/zinc/09/81/83/555098183.db2.gz VUGMDOQBIHBHKQ-XTUFCYCQSA-N 0 0 570.667 6.434 50 30 KKEARN COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869033 555098244 /nfs/dbraw/zinc/09/82/44/555098244.db2.gz XLAUWZKVJTVGLL-OGHRCCBNSA-N 0 0 512.587 5.563 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868861 555098249 /nfs/dbraw/zinc/09/82/49/555098249.db2.gz BXSXQCURIGGYEQ-UUALVTFQSA-N 0 0 572.639 5.881 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)ccc1O ZINC000102869040 555098273 /nfs/dbraw/zinc/09/82/73/555098273.db2.gz BPAZVRAFEKNBKS-MIOXIQPJSA-N 0 0 536.584 5.305 50 30 KKEARN COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102869201 555098529 /nfs/dbraw/zinc/09/85/29/555098529.db2.gz OMXWJSMXODMSQO-KQAPWQHSSA-N 0 0 528.586 5.319 50 30 KKEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(C3CCCCCC3)C(C)=C2C(=O)c2ccccc2)cc(OC)c1OC ZINC000102869496 555098809 /nfs/dbraw/zinc/09/88/09/555098809.db2.gz MIVCTDAYQSSXMF-GDLZYMKVSA-N 0 0 574.596 5.465 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870195 555100350 /nfs/dbraw/zinc/10/03/50/555100350.db2.gz KWCDCQNRJQBABT-GBIFRDBCSA-N 0 0 602.684 6.819 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102872102 555102663 /nfs/dbraw/zinc/10/26/63/555102663.db2.gz FPMJSOQOBBTJMY-QMMFTLRZSA-N 0 0 548.724 8.498 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102874482 555104547 /nfs/dbraw/zinc/10/45/47/555104547.db2.gz DLSDNZZBUZFMIU-AHPONGEQSA-N 0 0 570.686 5.117 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102874775 555104857 /nfs/dbraw/zinc/10/48/57/555104857.db2.gz DJPOTYNMWIMMHG-KQAPWQHSSA-N 0 0 517.050 7.316 50 30 KKEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102875292 555105296 /nfs/dbraw/zinc/10/52/96/555105296.db2.gz RMGBZGVXBMBSAP-ZZIWUOEGSA-N 0 0 502.567 6.077 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102876782 555106732 /nfs/dbraw/zinc/10/67/32/555106732.db2.gz CUYXTFNSLFHMGL-SBXHHDGASA-N 0 0 500.576 5.720 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102880576 555109304 /nfs/dbraw/zinc/10/93/04/555109304.db2.gz ZTKDYPKZXVINFX-MNOIWJKESA-N 0 0 511.618 6.201 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102882999 555111294 /nfs/dbraw/zinc/11/12/94/555111294.db2.gz QZXUHFGCEVPDLP-VEZPTTSMSA-N 0 0 550.611 5.608 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884042 555112835 /nfs/dbraw/zinc/11/28/35/555112835.db2.gz AUZDSXGANKXCKC-AYWGPLOBSA-N 0 0 518.660 6.680 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884242 555112873 /nfs/dbraw/zinc/11/28/73/555112873.db2.gz AADVPSXFZKGIRT-ZRUWLVFBSA-N 0 0 618.711 7.142 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884186 555112893 /nfs/dbraw/zinc/11/28/93/555112893.db2.gz NNQSEOUKTKWKJE-UUALVTFQSA-N 0 0 556.640 6.181 50 30 KKEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884694 555114189 /nfs/dbraw/zinc/11/41/89/555114189.db2.gz RVAABEGGFIOPMS-OTQMSCLFSA-N 0 0 576.671 5.757 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884714 555114207 /nfs/dbraw/zinc/11/42/07/555114207.db2.gz VQPAIFMERJYVAN-YZUJGMDRSA-N 0 0 614.720 6.688 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884696 555114271 /nfs/dbraw/zinc/11/42/71/555114271.db2.gz RVAABEGGFIOPMS-MWCANZRFSA-N 0 0 576.671 5.757 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102884777 555114482 /nfs/dbraw/zinc/11/44/82/555114482.db2.gz ZGUBPBDPDDYIMP-YJMWBXFMSA-N 0 0 559.663 5.296 50 30 KKEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102884781 555114545 /nfs/dbraw/zinc/11/45/45/555114545.db2.gz ZGUBPBDPDDYIMP-MNOIWJKESA-N 0 0 559.663 5.296 50 30 KKEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccncc2)cc1OCC ZINC000102885135 555115172 /nfs/dbraw/zinc/11/51/72/555115172.db2.gz DYTNIDYBARGFRX-VMFRQMAUSA-N 0 0 528.605 5.214 50 30 KKEARN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885407 555115547 /nfs/dbraw/zinc/11/55/47/555115547.db2.gz IAHZHVVUXNSECS-HAQIDCBSSA-N 0 0 531.033 6.462 50 30 KKEARN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000102885852 555116052 /nfs/dbraw/zinc/11/60/52/555116052.db2.gz CHPLDIWDEWNCRI-XODNFHPESA-N 0 0 557.415 7.089 50 30 KKEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886103 555116652 /nfs/dbraw/zinc/11/66/52/555116652.db2.gz CXUOICULPXPQJR-SXFMABAMSA-N 0 0 554.624 5.649 50 30 KKEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886104 555116709 /nfs/dbraw/zinc/11/67/09/555116709.db2.gz CXUOICULPXPQJR-RTMQWWODSA-N 0 0 554.624 5.649 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886355 555116895 /nfs/dbraw/zinc/11/68/95/555116895.db2.gz PZDCWPVYYXHEBH-CGKJMNDRSA-N 0 0 528.586 5.263 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886344 555116916 /nfs/dbraw/zinc/11/69/16/555116916.db2.gz LVUDUIBMLLOXQG-SSELITHESA-N 0 0 570.623 5.431 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886679 555117251 /nfs/dbraw/zinc/11/72/51/555117251.db2.gz CKYDGXHMBNNJFI-AIKCTZLLSA-N 0 0 513.575 5.040 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887057 555117846 /nfs/dbraw/zinc/11/78/46/555117846.db2.gz DJXGXYZSAMDSNL-SLPYKNDMSA-N 0 0 584.694 6.880 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102887091 555118115 /nfs/dbraw/zinc/11/81/15/555118115.db2.gz ZKRIRQQFRGTIJC-CJJGVWJISA-N 0 0 504.583 5.967 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887328 555118791 /nfs/dbraw/zinc/11/87/91/555118791.db2.gz XFDOTNDIYJSVSS-FSDXSRJSSA-N 0 0 592.670 5.375 50 30 KKEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102887427 555119215 /nfs/dbraw/zinc/11/92/15/555119215.db2.gz ZHVPRANSIWHHMM-DHJMZRGKSA-N 0 0 588.638 5.336 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887523 555119605 /nfs/dbraw/zinc/11/96/05/555119605.db2.gz IMBQIJCISUWLOK-FZIUWASMSA-N 0 0 558.612 5.272 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887731 555119862 /nfs/dbraw/zinc/11/98/62/555119862.db2.gz OSUROUUHUGWTRO-JLPDLQRYSA-N 0 0 602.709 6.313 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1OC ZINC000102887735 555119887 /nfs/dbraw/zinc/11/98/87/555119887.db2.gz JJPVBLYHLVSBHB-QMMFTLRZSA-N 0 0 550.611 5.608 50 30 KKEARN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888177 555120872 /nfs/dbraw/zinc/12/08/72/555120872.db2.gz LUCRLSAIIVDYBP-VGZNNGDKSA-N 0 0 598.721 7.214 50 30 KKEARN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888681 555122179 /nfs/dbraw/zinc/12/21/79/555122179.db2.gz WRHWXEJMMNPUDF-YYXRCVDTSA-N 0 0 588.638 5.280 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888806 555122566 /nfs/dbraw/zinc/12/25/66/555122566.db2.gz FQSRWDGIOJOJIR-RIEKNRFYSA-N 0 0 612.748 7.378 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888959 555122743 /nfs/dbraw/zinc/12/27/43/555122743.db2.gz KNSUYLYMJSHKMK-JEFHYQBXSA-N 0 0 532.618 5.311 50 30 KKEARN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888961 555122882 /nfs/dbraw/zinc/12/28/82/555122882.db2.gz KNSUYLYMJSHKMK-NMSSPVSYSA-N 0 0 532.618 5.311 50 30 KKEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889430 555123593 /nfs/dbraw/zinc/12/35/93/555123593.db2.gz LVIPKUBSJPBSMR-MZPHIWECSA-N 0 0 570.667 6.270 50 30 KKEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102889938 555124836 /nfs/dbraw/zinc/12/48/36/555124836.db2.gz UWCZCKDWXQRFAB-POZZTGBKSA-N 0 0 568.695 7.042 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890421 555125641 /nfs/dbraw/zinc/12/56/41/555125641.db2.gz AYNPCPBFCQURER-NMBCHZPXSA-N 0 0 626.775 7.686 50 30 KKEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890731 555126151 /nfs/dbraw/zinc/12/61/51/555126151.db2.gz MOMHOPISKAQHTD-SOIUSXPSSA-N 0 0 562.644 5.367 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890800 555126245 /nfs/dbraw/zinc/12/62/45/555126245.db2.gz USCHGNKNXKGUAN-IZSGBISHSA-N 0 0 616.711 7.353 50 30 KKEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102890930 555126430 /nfs/dbraw/zinc/12/64/30/555126430.db2.gz CFUJCKNZJDWNJO-JEPDFCTISA-N 0 0 529.637 5.288 50 30 KKEARN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102891734 555127829 /nfs/dbraw/zinc/12/78/29/555127829.db2.gz YHHAVVYFFXVISJ-XXASTYAFSA-N 0 0 540.641 6.434 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102891726 555127884 /nfs/dbraw/zinc/12/78/84/555127884.db2.gz ZPMZTXJZJBEZDK-AMKIGSDESA-N 0 0 526.614 5.953 50 30 KKEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892400 555128754 /nfs/dbraw/zinc/12/87/54/555128754.db2.gz OEQHJPVULFMRLI-KGBBCNSRSA-N 0 0 621.509 6.340 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893073 555129866 /nfs/dbraw/zinc/12/98/66/555129866.db2.gz BWVTXOGCSXPRPL-JOMJOIQHSA-N 0 0 586.666 6.052 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893078 555129958 /nfs/dbraw/zinc/12/99/58/555129958.db2.gz BWVTXOGCSXPRPL-LQRKZSIOSA-N 0 0 586.666 6.052 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893388 555130704 /nfs/dbraw/zinc/13/07/04/555130704.db2.gz KBJRXXREVJWEGP-NSOCNUKWSA-N 0 0 618.708 5.932 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893391 555130739 /nfs/dbraw/zinc/13/07/39/555130739.db2.gz KBJRXXREVJWEGP-JVJOXMINSA-N 0 0 618.708 5.932 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893375 555130841 /nfs/dbraw/zinc/13/08/41/555130841.db2.gz AKTJLYXQLCEYGW-PLWHFILJSA-N 0 0 588.682 5.923 50 30 KKEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894451 555132547 /nfs/dbraw/zinc/13/25/47/555132547.db2.gz QOOPQULXEIRCJI-PDZZUNKHSA-N 0 0 605.112 7.087 50 30 KKEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896072 555135740 /nfs/dbraw/zinc/13/57/40/555135740.db2.gz HYUCLXFLKZBLKT-WGGXKBPPSA-N 0 0 616.692 6.280 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102896269 555136028 /nfs/dbraw/zinc/13/60/28/555136028.db2.gz FOPDDZAYOXNRDZ-ZORLYMSLSA-N 0 0 551.743 8.737 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899734 555139376 /nfs/dbraw/zinc/13/93/76/555139376.db2.gz MONFEMFFBKCPMI-LOTNQUKISA-N 0 0 628.747 7.222 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C1=O)CCCC2 ZINC000102912248 555142909 /nfs/dbraw/zinc/14/29/09/555142909.db2.gz ZEKGEUXQBBSNIS-RJGXRXQPSA-N 0 0 534.981 5.111 50 30 KKEARN CC1=Nc2nc(SCc3ccc(Cl)cc3)nn2[C@H](c2ccc(Cl)cc2)C1C(=O)c1ccc(Cl)cc1 ZINC000102922272 555147175 /nfs/dbraw/zinc/14/71/75/555147175.db2.gz LUSALFSFSWSHHN-HSZRJFAPSA-N 0 0 541.891 7.702 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924581 555148682 /nfs/dbraw/zinc/14/86/82/555148682.db2.gz VTZLPRVHUHXMOV-IUKMQXEJSA-N 0 0 546.601 5.347 50 30 KKEARN COC(=O)c1nn(-c2ccccc2)c2c1C(Nc1ccc(C)cc1)=N[C@@](c1ccc(OC)cc1)(C(F)(F)F)O2 ZINC000102925063 555149373 /nfs/dbraw/zinc/14/93/73/555149373.db2.gz VNOOOYOZEXKFPR-HHHXNRCGSA-N 0 0 536.510 5.452 50 30 KKEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102925345 555149723 /nfs/dbraw/zinc/14/97/23/555149723.db2.gz REQJBKJWZXRMMY-UVDRRRQGSA-N 0 0 518.566 5.696 50 30 KKEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102925341 555149762 /nfs/dbraw/zinc/14/97/62/555149762.db2.gz REQJBKJWZXRMMY-ZZIWUOEGSA-N 0 0 518.566 5.696 50 30 KKEARN N#Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000102926337 555150634 /nfs/dbraw/zinc/15/06/34/555150634.db2.gz AGQCYNXCMIBQQH-RCRUUEGKSA-N 0 0 519.601 7.623 50 30 KKEARN N#Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000102926334 555150668 /nfs/dbraw/zinc/15/06/68/555150668.db2.gz AGQCYNXCMIBQQH-CHJDUVSTSA-N 0 0 519.601 7.623 50 30 KKEARN C=CCOC(=O)Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)OCC=C)cc3)c(F)c2F)cc1 ZINC000102926378 555150700 /nfs/dbraw/zinc/15/07/00/555150700.db2.gz PCJXEXOZVTWFPK-UHFFFAOYSA-N 0 0 532.446 7.297 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102926395 555150826 /nfs/dbraw/zinc/15/08/26/555150826.db2.gz VTPHNJYCGQNYBW-KFLIVHAJSA-N 0 0 625.692 9.418 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102927888 555152663 /nfs/dbraw/zinc/15/26/63/555152663.db2.gz BOIKGVJRGJBUJZ-SBXHHDGASA-N 0 0 516.575 5.339 50 30 KKEARN COc1ccc(-c2oc(NC(=O)COC(=O)c3cc(OC)c(OC)cc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000102927916 555152861 /nfs/dbraw/zinc/15/28/61/555152861.db2.gz ZLPYVPZNJJZLLW-UHFFFAOYSA-N 0 0 572.570 5.324 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102928492 555154028 /nfs/dbraw/zinc/15/40/28/555154028.db2.gz SMGOGZJQDZLEST-HNWSYWITSA-N 0 0 548.724 8.498 50 30 KKEARN CCCCc1ccc(NC(=O)c2c(N)c(C(=O)Nc3ccccc3C#N)sc2Nc2ccccc2OC)cc1 ZINC000102929767 555155834 /nfs/dbraw/zinc/15/58/34/555155834.db2.gz NRQGULFJZISVAO-MHZLTWQESA-N 0 0 539.661 5.946 50 30 KKEARN N#C[C@H](c1nc2ccccc2nc1N1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1)S(=O)(=O)c1ccccc1 ZINC000102931166 555158556 /nfs/dbraw/zinc/15/85/56/555158556.db2.gz MTAVSQLFPMDXBX-GCPOPKDISA-N 0 0 579.726 5.291 50 30 KKEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1 ZINC000102932766 555160197 /nfs/dbraw/zinc/16/01/97/555160197.db2.gz JZHWIQPJUCXNDS-ZZIWUOEGSA-N 0 0 500.620 6.738 50 30 KKEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102933069 555160217 /nfs/dbraw/zinc/16/02/17/555160217.db2.gz IDEIHBHWHSZIJY-DFXXOVSGSA-N 0 0 567.513 6.644 50 30 KKEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102932744 555160256 /nfs/dbraw/zinc/16/02/56/555160256.db2.gz IRXCPKDMXZTXEA-ZHHPLPSFSA-N 0 0 516.432 5.251 50 30 KKEARN Cc1cc(C)cc(NC(=O)CSc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3ccccc3Cl)c2C#N)c1 ZINC000102935508 555162887 /nfs/dbraw/zinc/16/28/87/555162887.db2.gz MOCMVLSQBBDDBD-UHFFFAOYSA-N 0 0 555.103 7.490 50 30 KKEARN Cc1nn(CCC#N)c2c1[P@](=Nc1ccccc1C(F)(F)F)(N1CCOCC1)N(C)C(c1ccccc1)=N2 ZINC000102940351 555168898 /nfs/dbraw/zinc/16/88/98/555168898.db2.gz ITUBTZWUXUKJIN-KXQOOQHDSA-N 0 0 541.518 5.468 50 30 KKEARN CN1c2ccccc2C(C)(C)/C1=C\[P@](=NS(=O)(=O)c1ccc(Cl)cc1)(Oc1ccc(C#N)cc1)c1ccccc1 ZINC000102945508 555171662 /nfs/dbraw/zinc/17/16/62/555171662.db2.gz NQXOYDOZTNHHOQ-CYPKDIMRSA-N 0 0 588.069 7.690 50 30 KKEARN O=C(O/C(=C(/Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000102946178 555171877 /nfs/dbraw/zinc/17/18/77/555171877.db2.gz XLONQSPGLLMEIZ-CYYJNZCTSA-N 0 0 560.425 7.558 50 30 KKEARN O=C1CN2c3cc(-c4ccccc4)sc3C(=O)NC2=C1c1nc(-c2ccc(Br)cc2)cs1 ZINC000102949332 555172428 /nfs/dbraw/zinc/17/24/28/555172428.db2.gz WDEPTTNVKJKCKH-UHFFFAOYSA-N 0 0 520.433 5.802 50 30 KKEARN C=CCn1c(SCC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)nc2sc3c(c2c1=O)CCCC3 ZINC000102965339 555180265 /nfs/dbraw/zinc/18/02/65/555180265.db2.gz WQRUSQKMUIYQAH-UHFFFAOYSA-N 0 0 583.732 6.298 50 30 KKEARN CCCCCCCCOc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000102972918 555182817 /nfs/dbraw/zinc/18/28/17/555182817.db2.gz YILNJXSUBSYVEX-AKGWNBJDSA-N 0 0 583.556 8.992 50 30 KKEARN CCCCCCCCOc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000102972916 555182843 /nfs/dbraw/zinc/18/28/43/555182843.db2.gz YILNJXSUBSYVEX-NSJVFKKDSA-N 0 0 583.556 8.992 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000102983453 555189229 /nfs/dbraw/zinc/18/92/29/555189229.db2.gz BHQNDYTZEMLPPQ-UHFFFAOYSA-N 0 0 559.485 8.362 50 30 KKEARN CCCCCCCC(=O)N(CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000102991374 555192424 /nfs/dbraw/zinc/19/24/24/555192424.db2.gz YHKPVWMIBCZRHW-SANMLTNESA-N 0 0 537.104 6.833 50 30 KKEARN CCCCCCCC(=O)N(CCC)CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000102991427 555192498 /nfs/dbraw/zinc/19/24/98/555192498.db2.gz IKCCAXDBLIIAOD-AREMUKBSSA-N 0 0 509.543 7.128 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)c1 ZINC000102991886 555192739 /nfs/dbraw/zinc/19/27/39/555192739.db2.gz IBBTUQOWLYSCLC-UHFFFAOYSA-N 0 0 611.436 5.953 50 30 KKEARN CCCCCCCC(=O)N1CCN(c2cc(Cl)nc(SCC(=O)N(C(C)C)C(C)C)n2)C[C@H]1C ZINC000102992551 555193176 /nfs/dbraw/zinc/19/31/76/555193176.db2.gz DKJQWXBYGKTFRI-HXUWFJFHSA-N 0 0 512.164 5.265 50 30 KKEARN CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000102993685 555193717 /nfs/dbraw/zinc/19/37/17/555193717.db2.gz QCNSPDJXBZFUHE-ZRBLBEILSA-N 0 0 521.249 5.610 50 30 KKEARN CCCCCCCCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000102996051 555195406 /nfs/dbraw/zinc/19/54/06/555195406.db2.gz NBPBIWLHJKXDLZ-LJAQVGFWSA-N 0 0 513.723 5.646 50 30 KKEARN CCCCCCCCC(=O)N1CCC(N(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)CCC)CC1 ZINC000102995901 555195532 /nfs/dbraw/zinc/19/55/32/555195532.db2.gz MPVIMTZCTSTUBX-UHFFFAOYSA-N 0 0 549.822 5.455 50 30 KKEARN CCCCCCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102997662 555196958 /nfs/dbraw/zinc/19/69/58/555196958.db2.gz RJBSQLWTOLBDLI-UHFFFAOYSA-N 0 0 543.724 5.639 50 30 KKEARN CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1coc2ccc(Cl)cc2c1=O)C[C@H]1CCCO1 ZINC000102997593 555196964 /nfs/dbraw/zinc/19/69/64/555196964.db2.gz VQEKQZYTONTULD-MUUNZHRXSA-N 0 0 639.189 6.852 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C(C)C ZINC000102999454 555199015 /nfs/dbraw/zinc/19/90/15/555199015.db2.gz UEXGJDIXFIMOOE-UHFFFAOYSA-N 0 0 512.691 6.695 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000102999583 555199218 /nfs/dbraw/zinc/19/92/18/555199218.db2.gz QVABEKFNFGSNES-LJAQVGFWSA-N 0 0 542.736 7.184 50 30 KKEARN CCCCCCCCCCCC(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000102999778 555199435 /nfs/dbraw/zinc/19/94/35/555199435.db2.gz VGBGRWHSEVQLJU-UHFFFAOYSA-N 0 0 543.701 7.636 50 30 KKEARN CCCCCCCCCCCC(=O)N1CCN(c2nc(CCC(C)C)nc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000102999895 555199735 /nfs/dbraw/zinc/19/97/35/555199735.db2.gz NWRKMGLRBBSDMB-UHFFFAOYSA-N 0 0 567.222 7.627 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1 ZINC000103000615 555200491 /nfs/dbraw/zinc/20/04/91/555200491.db2.gz WDWFWWMDANQYNC-UHFFFAOYSA-N 0 0 632.934 8.371 50 30 KKEARN CCCCCCCCCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1 ZINC000103000772 555200752 /nfs/dbraw/zinc/20/07/52/555200752.db2.gz BWLJZDXSHGMQRI-UHFFFAOYSA-N 0 0 545.164 7.218 50 30 KKEARN CCCCCCCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1 ZINC000103000913 555200993 /nfs/dbraw/zinc/20/09/93/555200993.db2.gz FJKKRTZHNDROAD-LJAQVGFWSA-N 0 0 527.750 7.640 50 30 KKEARN CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(cc(OC)c([N+](=O)[O-])c1OC)O2 ZINC000103001701 555201724 /nfs/dbraw/zinc/20/17/24/555201724.db2.gz VCXYCNDSAKHZDP-LHEWISCISA-N 0 0 620.875 10.773 50 30 KKEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000103002402 555201938 /nfs/dbraw/zinc/20/19/38/555201938.db2.gz VBASIBCXBUUTAI-AREMUKBSSA-N 0 0 587.067 7.750 50 30 KKEARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CC[C@H](C)C4)C2=O)cc1 ZINC000103004168 555202558 /nfs/dbraw/zinc/20/25/58/555202558.db2.gz PVFQBWBMNJYGRQ-FLVDCRJSSA-N 0 0 511.603 5.561 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103008654 555205281 /nfs/dbraw/zinc/20/52/81/555205281.db2.gz JJFWISUYQXZGBM-SKBVVQJISA-N 0 0 605.613 5.628 50 30 KKEARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)C2=C(C[C@@H](c3cccs3)[C@@H](C(=O)OCC)C2=O)N1 ZINC000103011145 555206293 /nfs/dbraw/zinc/20/62/93/555206293.db2.gz OVSDUIFOXDCQMD-QTLGCAHFSA-N 0 0 537.678 5.641 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccc(Cl)c1 ZINC000103014874 555208568 /nfs/dbraw/zinc/20/85/68/555208568.db2.gz XQSQYAFSDNMTTM-NQHRYMMQSA-N 0 0 577.102 5.929 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000103015556 555208900 /nfs/dbraw/zinc/20/89/00/555208900.db2.gz NPHCNTKBCLPTLM-QTLGCAHFSA-N 0 0 596.627 5.693 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1cccc(F)c1 ZINC000103015395 555208983 /nfs/dbraw/zinc/20/89/83/555208983.db2.gz RRSHAESVOXJHLJ-FTBPSBKWSA-N 0 0 578.637 5.554 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccs3)C2)[C@H]1c1cccnc1 ZINC000103015381 555208987 /nfs/dbraw/zinc/20/89/87/555208987.db2.gz SFLNEOCAIDEMIH-UKDVSSAZSA-N 0 0 592.117 5.632 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccs3)C2)[C@H]1c1ccccc1F ZINC000103015811 555209148 /nfs/dbraw/zinc/20/91/48/555209148.db2.gz BLAGDICEMAUITJ-BUUDZMLXSA-N 0 0 578.637 5.554 50 30 KKEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2C)ccc1Cl ZINC000103016112 555209407 /nfs/dbraw/zinc/20/94/07/555209407.db2.gz WQTCIRQIYJRWHI-UHFFFAOYSA-N 0 0 566.848 5.887 50 30 KKEARN CCCCCCCOc1ccc(C(=O)N[C@@H]2C=C[C@@H]([C@H](C(=O)OC)c3ccc(F)cc3Cl)C2)cc1 ZINC000103016971 555209826 /nfs/dbraw/zinc/20/98/26/555209826.db2.gz BGZATNTVUUAOOW-MZEQIWSPSA-N 0 0 502.026 6.460 50 30 KKEARN CCCCCCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S/C1=N\c1ccccc1 ZINC000103019493 555211273 /nfs/dbraw/zinc/21/12/73/555211273.db2.gz XFBFJGHZFLLGMK-SYYSWTDVSA-N 0 0 511.997 6.899 50 30 KKEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccc(C)cc1)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000103022039 555213357 /nfs/dbraw/zinc/21/33/57/555213357.db2.gz LFXDCPDSPDXMSQ-LOYIFYEOSA-N 0 0 530.602 5.675 50 30 KKEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](SC(=NCC)Nc3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000103026459 555216284 /nfs/dbraw/zinc/21/62/84/555216284.db2.gz XAFUJPIPRZQFHI-HSZRJFAPSA-N 0 0 502.080 6.270 50 30 KKEARN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000103029764 555218478 /nfs/dbraw/zinc/21/84/78/555218478.db2.gz GPPLOEUJDHXWBT-UHFFFAOYSA-N 0 0 543.394 6.954 50 30 KKEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1nc(=O)c2c(-c4ccccc4Cl)csc2[nH]1)CCC3 ZINC000103069284 555249864 /nfs/dbraw/zinc/24/98/64/555249864.db2.gz WCBSPEUYIQFDNN-UHFFFAOYSA-N 0 0 539.107 6.043 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1Cl ZINC000103078262 555256866 /nfs/dbraw/zinc/25/68/66/555256866.db2.gz YAVPLOCHSZBLFH-PMAPCBKXSA-N 0 0 553.508 5.472 50 30 KKEARN C[C@H](OC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C(C)(C)C)cc1)CC2)C(=O)Nc1ccccc1C#N ZINC000103079660 555258291 /nfs/dbraw/zinc/25/82/91/555258291.db2.gz DMWCAEYDZILYJQ-HFBCPUAESA-N 0 0 529.640 7.075 50 30 KKEARN CC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)Nc2sccc2C#N)/C(=C\c2cccs2)C1 ZINC000103081988 555261027 /nfs/dbraw/zinc/26/10/27/555261027.db2.gz KRJBJESPZSKXOR-GRTQGXPSSA-N 0 0 541.698 7.174 50 30 KKEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000103098705 555275906 /nfs/dbraw/zinc/27/59/06/555275906.db2.gz NACNVEHGUGWZKD-DEOSSOPVSA-N 0 0 542.016 6.491 50 30 KKEARN CCCCCCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2sc3c(c2c1=O)CCCCC3 ZINC000103104585 555281833 /nfs/dbraw/zinc/28/18/33/555281833.db2.gz PCJJICFKXMFFPQ-UHFFFAOYSA-N 0 0 527.756 6.827 50 30 KKEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000103118828 555289293 /nfs/dbraw/zinc/28/92/93/555289293.db2.gz ITAYTLGXMUHTIW-NRFANRHFSA-N 0 0 563.818 7.506 50 30 KKEARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103128333 555296512 /nfs/dbraw/zinc/29/65/12/555296512.db2.gz FSQDEXOVPQPHHN-PMERELPUSA-N 0 0 604.688 5.832 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103129509 555298255 /nfs/dbraw/zinc/29/82/55/555298255.db2.gz FKXFAIVAZFLUCC-RVVSJWLRSA-N 0 0 560.691 5.255 50 30 KKEARN COC(=O)C(C(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)=C1Nc2ccccc2N1 ZINC000103130956 555299964 /nfs/dbraw/zinc/29/99/64/555299964.db2.gz KNTZKGZFROULIB-UHFFFAOYSA-N 0 0 576.476 5.339 50 30 KKEARN CCCCCCCCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1 ZINC000103138126 555308220 /nfs/dbraw/zinc/30/82/20/555308220.db2.gz MPJDLJNAAUUCPD-UHFFFAOYSA-N 0 0 599.838 5.866 50 30 KKEARN CCCCCCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CCCCC1 ZINC000103148311 555315160 /nfs/dbraw/zinc/31/51/60/555315160.db2.gz JTVMSVQMJOEEIB-UHFFFAOYSA-N 0 0 538.842 8.668 50 30 KKEARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3C#N)(C(=O)NCC3CC3)C[C@@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103153742 555319073 /nfs/dbraw/zinc/31/90/73/555319073.db2.gz BCRWASXPYKOXBF-NANFOGFDSA-N 0 0 558.597 5.258 50 30 KKEARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(Cl)cc3F)no2)CC1 ZINC000103153727 555319088 /nfs/dbraw/zinc/31/90/88/555319088.db2.gz PSXUFBYMOGRTJN-UHFFFAOYSA-N 0 0 521.820 6.587 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103157709 555320126 /nfs/dbraw/zinc/32/01/26/555320126.db2.gz FOBVXNXDALCAOE-FOWTUZBSSA-N 0 0 551.599 5.266 50 30 KKEARN Cc1ccc(-n2c(SCc3ccccc3)nnc2[C@@H](Cc2ccccc2)NC(=O)Nc2cccc(C#N)c2)cc1 ZINC000103197405 555335461 /nfs/dbraw/zinc/33/54/61/555335461.db2.gz AIRDMINRVVSDJT-GDLZYMKVSA-N 0 0 544.684 6.845 50 30 KKEARN CCCCCCCCCCCCCC(=O)N(CCCOCC)CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000103211316 555340017 /nfs/dbraw/zinc/34/00/17/555340017.db2.gz FJJMUICAKPQAGQ-UHFFFAOYSA-N 0 0 558.779 7.904 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(SC)cc1 ZINC000103223104 555341336 /nfs/dbraw/zinc/34/13/36/555341336.db2.gz QGDZQMCMLRRUQJ-UCGXPXSYSA-N 0 0 535.662 5.131 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000103223046 555341424 /nfs/dbraw/zinc/34/14/24/555341424.db2.gz GDJPABAVDQOXLO-RFYMFKDESA-N 0 0 560.691 5.255 50 30 KKEARN N#Cc1cccc([C@@H](CC(=O)NCCN2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1Cl ZINC000103429045 555412022 /nfs/dbraw/zinc/41/20/22/555412022.db2.gz VFIFRFSYHZREMK-HHHXNRCGSA-N 0 0 545.058 5.324 50 30 KKEARN CCCCCCCCCC(=O)N1CCCN(c2nc(CC3CCCCC3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000103431199 555413170 /nfs/dbraw/zinc/41/31/70/555413170.db2.gz MAVRZKBEVCGLSQ-UHFFFAOYSA-N 0 0 576.805 7.565 50 30 KKEARN FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000103529139 555429505 /nfs/dbraw/zinc/42/95/05/555429505.db2.gz MAJGRMGANWRLMD-UHFFFAOYSA-N 0 0 500.070 6.353 50 30 KKEARN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Cl)cc1 ZINC000103546351 555440616 /nfs/dbraw/zinc/44/06/16/555440616.db2.gz UNHZVXPJGSIDBW-KEVKATSASA-N 0 0 587.857 5.480 50 30 KKEARN Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000103609796 555455258 /nfs/dbraw/zinc/45/52/58/555455258.db2.gz AWYNBBQQYQVYSX-UHFFFAOYSA-N 0 0 560.229 6.399 50 30 KKEARN O=C1N/C(=N/c2cccc(/N=C3/NC(=O)/C(=C\c4ccccc4Cl)S3)c2)S/C1=C/c1ccccc1Cl ZINC000103657840 555461288 /nfs/dbraw/zinc/46/12/88/555461288.db2.gz FRFPZCDMSRKAJR-ADYPVIEZSA-N 0 0 551.480 6.777 50 30 KKEARN NC(=O)Cn1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000103683243 555462261 /nfs/dbraw/zinc/46/22/61/555462261.db2.gz VKQAGSIFFMPLAK-HWFNXEOGSA-N 0 0 559.489 5.562 50 30 KKEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSC3=N/C(=C\c4ccccc4OC)C(=O)N3c3ccccc3)sc2C1 ZINC000103702439 555464175 /nfs/dbraw/zinc/46/41/75/555464175.db2.gz GXSBHYBKIADHKD-FXTYVIBOSA-N 0 0 598.794 7.285 50 30 KKEARN COCc1cc(C)nc(N=NCc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)c1C#N ZINC000103736656 555465825 /nfs/dbraw/zinc/46/58/25/555465825.db2.gz QSDGFFKHKSPIQO-FXMZOFOKSA-N 0 0 534.241 6.502 50 30 KKEARN COCc1cc(C)nc(N=NCc2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)c1C#N ZINC000103786456 555477725 /nfs/dbraw/zinc/47/77/25/555477725.db2.gz ITAIEXBUEQHZBH-KVSWJAHQSA-N 0 0 576.822 5.700 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Br)c1O ZINC000169617264 560044547 /nfs/dbraw/zinc/04/45/47/560044547.db2.gz PGYQQEYWYHVHOW-JHPRIADQSA-N 0 0 584.507 6.265 50 30 biogenic,in-vitro KKEARN C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049757093 562675516 /nfs/dbraw/zinc/67/55/16/562675516.db2.gz DWPBUPJNVRCCEB-DWKDZXJCSA-N 0 0 600.848 8.431 50 30 KKEARN Cc1nccn1C(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@]1(C)CC2 ZINC000095560876 562763194 /nfs/dbraw/zinc/76/31/94/562763194.db2.gz CRIWCJQYELVRSV-PMJIHCSESA-N 0 0 532.769 7.237 50 30 KKEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000245228735 562881316 /nfs/dbraw/zinc/88/13/16/562881316.db2.gz DPRXSYGUKXKSER-FNKBUZRESA-N 0 0 598.526 7.724 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000245228737 562881342 /nfs/dbraw/zinc/88/13/42/562881342.db2.gz DPRXSYGUKXKSER-RDCWZDOOSA-N 0 0 598.526 7.724 50 30 KKEARN C=CCO[C@@H]1[C@@H](OC(=O)c2ccc(C)cc2)[C@H](Oc2ccc(OC)cc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000072099451 571360881 /nfs/dbraw/zinc/36/08/81/571360881.db2.gz GGJWZZOGPJLAJS-YZGOXYICSA-N 0 0 532.589 5.018 50 30 KKEARN O=c1c(C=[NH+]CCC(c2ccccc2)c2ccccc2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000103874614 571368423 /nfs/dbraw/zinc/36/84/23/571368423.db2.gz XJLYEMARAPFJDS-WEMUVCOSSA-N 0 0 502.574 6.794 50 30 KKEARN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000103928965 571370091 /nfs/dbraw/zinc/37/00/91/571370091.db2.gz RMZRFDQJIOKANX-MOBKVPTQSA-N 0 0 520.607 5.134 50 30 KKEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc2oc3ccc(C(=O)/C=C\c4ccc(Br)cc4)cc3c2c1 ZINC000103943792 571370511 /nfs/dbraw/zinc/37/05/11/571370511.db2.gz HBZCBKMKPNNNNB-FUJGBLOQSA-N 0 0 586.279 8.903 50 30 KKEARN O=C1c2ccccc2C(=O)C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=C1NS(=O)(=O)c1ccccc1 ZINC000104072199 571372192 /nfs/dbraw/zinc/37/21/92/571372192.db2.gz RIZGEFYCPIZPTN-BNIPGBBVSA-N 0 0 563.679 5.347 50 30 KKEARN COCCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)S/C1=N\c1ccccc1 ZINC000104228411 571377530 /nfs/dbraw/zinc/37/75/30/571377530.db2.gz LZJSEULPTXCXNZ-VJSNEPIGSA-N 0 0 540.277 5.861 50 30 KKEARN N#CC1(C#N)[C@H]2C=Cc3c4ccccc4ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000104473405 571381119 /nfs/dbraw/zinc/38/11/19/571381119.db2.gz DXOIRIYWPYLOSL-MPFGFTFXSA-N 0 0 530.425 6.887 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(Br)c3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000104776895 571386018 /nfs/dbraw/zinc/38/60/18/571386018.db2.gz XFUYSTGEOAJZDY-PVHODMMVSA-N 0 0 540.417 5.751 50 30 KKEARN O=C(Cn1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000105166789 571391878 /nfs/dbraw/zinc/39/18/78/571391878.db2.gz LJIZMIMCHYDAGC-XDBGQCCBSA-N 0 0 596.756 7.293 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5ccc(C(F)(F)F)cc5)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877385 571409045 /nfs/dbraw/zinc/40/90/45/571409045.db2.gz SERLRAKXYFSGJC-KYHNACEBSA-N 0 0 596.818 10.158 50 30 KKEARN CC1(C)CC[C@@]23CO[C@@H]1[C@H]2[C@H]1CC[C@@H]2[C@@]4(C)C/C(=C\c5csc6c5CCCC6)C(=O)C(C)(C)[C@H]4CC[C@@]2(C)[C@]1(C)CC3 ZINC000105877443 571409178 /nfs/dbraw/zinc/40/91/78/571409178.db2.gz UDBOTRYHRCSBNV-ZRXATVKKSA-N 0 0 588.942 10.080 50 30 KKEARN C#CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC ZINC000105980704 571409825 /nfs/dbraw/zinc/40/98/25/571409825.db2.gz OSKCVKCGMVWAPW-MFOYZWKCSA-N 0 0 573.715 6.291 50 30 KKEARN CC(C)(C)c1cc(Cl)c(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000108434777 571423663 /nfs/dbraw/zinc/42/36/63/571423663.db2.gz DBYQQOUSHXHMFK-LKAOFKDASA-N 0 0 503.514 7.849 50 30 KKEARN CCCCCCCCCCCCCCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](O)c1ccccc1 ZINC000109834785 571430029 /nfs/dbraw/zinc/43/00/29/571430029.db2.gz XUIXORWVXAHDKN-HEVIKAOCSA-N 0 0 619.824 7.523 50 30 KKEARN CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000113175621 571438496 /nfs/dbraw/zinc/43/84/96/571438496.db2.gz HFFFFTQVPXWDLI-KNQAVFIVSA-N 0 0 614.505 8.586 50 30 KKEARN COc1ccc(OC)c(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000113560162 571439932 /nfs/dbraw/zinc/43/99/32/571439932.db2.gz CSSNKDIABMUMJK-FOCLMDBBSA-N 0 0 617.752 8.440 50 30 KKEARN COc1ccc(-c2cc(-c3ccccc3)nc(SC(C)(C)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C#N)cc1 ZINC000113561440 571440210 /nfs/dbraw/zinc/44/02/10/571440210.db2.gz TXRXULQNSHLJFG-UHFFFAOYSA-N 0 0 538.629 7.022 50 30 KKEARN O=C(C=Cc1cccs1)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 ZINC000113562396 571440383 /nfs/dbraw/zinc/44/03/83/571440383.db2.gz TYTMMOHDCUJJHP-VAWYXSNFSA-N 0 0 526.408 5.552 50 30 KKEARN O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000113563649 571440585 /nfs/dbraw/zinc/44/05/85/571440585.db2.gz MZMJVSHULRXWKO-NRWLJYDGSA-N 0 0 624.615 6.357 50 30 KKEARN COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000113564561 571440719 /nfs/dbraw/zinc/44/07/19/571440719.db2.gz UPYLEMNYQAKLKW-WUKNDPDISA-N 0 0 587.726 8.431 50 30 KKEARN CCCCCCCc1ccc(-c2c3c(N)c(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)sc3nc(N)c2C#N)cc1 ZINC000113564556 571440726 /nfs/dbraw/zinc/44/07/26/571440726.db2.gz IDXNIZIIZQOMNT-VHEBQXMUSA-N 0 0 619.816 8.722 50 30 KKEARN Cc1cccc(-c2cc(-c3cccc4ccccc43)nc3sc(C(=O)Nc4ccc(C(=O)/C=C/c5cccs5)cc4)c(N)c32)c1 ZINC000113564220 571440733 /nfs/dbraw/zinc/44/07/33/571440733.db2.gz VRAFKLHMHGCCTQ-VHEBQXMUSA-N 0 0 621.787 9.884 50 30 KKEARN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113564614 571440775 /nfs/dbraw/zinc/44/07/75/571440775.db2.gz ZENJAVULRYPVLC-QIDLBESASA-N 0 0 585.754 8.673 50 30 KKEARN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)cc1 ZINC000113564601 571440837 /nfs/dbraw/zinc/44/08/37/571440837.db2.gz BEDCICBVUQTBHE-SQAMQDMYSA-N 0 0 620.199 9.326 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C1=O)-c1ccccc1CC2 ZINC000113627688 571441564 /nfs/dbraw/zinc/44/15/64/571441564.db2.gz JXWWMAVQCZBEQR-VWLOTQADSA-N 0 0 566.733 6.618 50 30 KKEARN N#Cc1c2c(sc1N1C(=O)C[C@@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C1=O)-c1ccccc1CC2 ZINC000113627685 571441650 /nfs/dbraw/zinc/44/16/50/571441650.db2.gz JXWWMAVQCZBEQR-RUZDIDTESA-N 0 0 566.733 6.618 50 30 KKEARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C1/CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915857 571443988 /nfs/dbraw/zinc/44/39/88/571443988.db2.gz ARBKTKAUJNRJQD-UWMGJQHDSA-N 0 0 572.878 8.431 50 30 KKEARN CCCCOc1ccc([C@@H]2C(c3nc(-c4ccc(Br)cc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000136643778 571449627 /nfs/dbraw/zinc/44/96/27/571449627.db2.gz RQIACSYWSXUTLO-VWLOTQADSA-N 0 0 579.560 7.836 50 30 KKEARN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)ON5C(=O)CCC5=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000136792923 571449839 /nfs/dbraw/zinc/44/98/39/571449839.db2.gz QPNAGEBWCJBNPO-PLOQSNKASA-N 0 0 583.810 7.327 50 30 KKEARN N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccc(Cl)cc4)nc(-c4ccc5c(c4)OCCO5)c3)cc21 ZINC000138103404 571451014 /nfs/dbraw/zinc/45/10/14/571451014.db2.gz XNYTXZUHIXEBLP-UHFFFAOYSA-N 0 0 523.976 6.146 50 30 KKEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150339437 571457424 /nfs/dbraw/zinc/45/74/24/571457424.db2.gz AQZYBQIAUSKCCS-UHFFFAOYSA-N 0 0 821.106 10.471 50 30 KKEARN CC1(C)CC(=O)C(C(c2ccc(C(C3C(=O)CC(C)(C)CC3=O)C3C(=O)CC(C)(C)CC3=O)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000150339559 571457511 /nfs/dbraw/zinc/45/75/11/571457511.db2.gz PFHKMSDXCFSBJS-ACHIHNKUSA-N 0 0 658.832 7.405 50 30 KKEARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C/c4ccc(OCc5ccccc5C#N)cc4)c(=O)n32)cc1OC ZINC000150345164 571459788 /nfs/dbraw/zinc/45/97/88/571459788.db2.gz ONGVTTDOFMMHAG-KXBQFYOSSA-N 0 0 656.764 5.650 50 30 KKEARN O=C(c1ccc(Br)cc1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150345604 571459941 /nfs/dbraw/zinc/45/99/41/571459941.db2.gz ZZUHWLUVQQXPAI-WPRPVWTQSA-N 0 0 635.064 7.504 50 30 KKEARN O=C(Oc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)cc4)cc3)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000150348423 571461143 /nfs/dbraw/zinc/46/11/43/571461143.db2.gz OIFBKVXIEQLTRZ-WAJJMWJGSA-N 0 0 780.662 8.926 50 30 KKEARN CCCCCCCc1ccc(C(=O)Oc2ccc(-c3nnc(-c4ccc(OC(=O)c5ccc(CCCCCCC)cc5)cc4)o3)cc2)cc1 ZINC000150350807 571462001 /nfs/dbraw/zinc/46/20/01/571462001.db2.gz YEHGFVANALXATC-UHFFFAOYSA-N 0 0 658.839 10.868 50 30 KKEARN Cn1nc(-c2ccccc2)c(COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000150352277 571462398 /nfs/dbraw/zinc/46/23/98/571462398.db2.gz QXSJJMYCUOILMW-UHFFFAOYSA-N 0 0 636.492 7.333 50 30 KKEARN COc1cc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000150354134 571462863 /nfs/dbraw/zinc/46/28/63/571462863.db2.gz LTXDRVSBDIJDMC-VWJSQJICSA-N 0 0 643.264 8.385 50 30 KKEARN CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5nc(SCC(=O)Nc6ccc(C(=O)OC)cc6)sc5c4)cc3[N+](=O)[O-])sc2c1 ZINC000150359907 571463742 /nfs/dbraw/zinc/46/37/42/571463742.db2.gz KEWFQJGIFVATAP-KVAAJVFYSA-N 0 0 715.860 8.632 50 30 KKEARN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000150362903 571464183 /nfs/dbraw/zinc/46/41/83/571464183.db2.gz MKWMPUODOLINSS-PNQUVVCRSA-N 0 0 625.294 6.743 50 30 KKEARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4C#N)cc3Br)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000150364229 571464444 /nfs/dbraw/zinc/46/44/44/571464444.db2.gz DBTRHCZLBQNKOC-YGTTZARJSA-N 0 0 786.704 7.319 50 30 KKEARN Cc1cccc(C)c1/N=C1\S/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000150364039 571464469 /nfs/dbraw/zinc/46/44/69/571464469.db2.gz OHZPSLJFJNUQOI-BGXWMXDNSA-N 0 0 638.414 9.760 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3cccc(N4C(=O)C[C@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)c3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000150369462 571465525 /nfs/dbraw/zinc/46/55/25/571465525.db2.gz OTUJGBMKONUWEU-NSOVKSMOSA-N 0 0 840.834 8.563 50 30 KKEARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)c1 ZINC000150369659 571465595 /nfs/dbraw/zinc/46/55/95/571465595.db2.gz XDJHUKUSTMRTRB-UHFFFAOYSA-N 0 0 659.439 8.810 50 30 KKEARN N#Cc1c(S[C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@H](Sc5nc(-c6cccs6)cc(C(F)(F)F)c5C#N)C4=O)cc3)C2=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000150369895 571465731 /nfs/dbraw/zinc/46/57/31/571465731.db2.gz JUDWGFOXGOUTPJ-NSOVKSMOSA-N 0 0 840.834 8.563 50 30 KKEARN CS(=O)(=O)O[C@H]1[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150371830 571465874 /nfs/dbraw/zinc/46/58/74/571465874.db2.gz CILSTBQZISAPNO-GBEVQUFSSA-N 0 0 806.937 7.165 50 30 KKEARN O=C(Nc1ccc(OC(F)(F)Cl)cc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)c(Cl)c2)S1 ZINC000150376417 571466461 /nfs/dbraw/zinc/46/64/61/571466461.db2.gz BUMSYPCOPHRBAH-QBYWCTQESA-N 0 0 619.304 7.975 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000150384183 571468113 /nfs/dbraw/zinc/46/81/13/571468113.db2.gz CBVKJEBZJXDTHC-FQLPYIGMSA-N 0 0 652.641 6.380 50 30 KKEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)[C@@H]3c2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000150384579 571468357 /nfs/dbraw/zinc/46/83/57/571468357.db2.gz CWDFQKGJCFRUKO-KEEVHDRGSA-N 0 0 640.571 6.721 50 30 KKEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000150384896 571468400 /nfs/dbraw/zinc/46/84/00/571468400.db2.gz GIVPMLOINZVDMO-JLINENICSA-N 0 0 650.079 7.128 50 30 KKEARN CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000150384855 571468434 /nfs/dbraw/zinc/46/84/34/571468434.db2.gz UEJHZXGGYAISSA-RZDMPUFOSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)c1c2c(sc1NC(C)=O)C(Cl)=C(/C=N/N=C/C1=C(Cl)c3sc(NC(C)=O)c(C(=O)OCC)c3CC1)CC2 ZINC000150385768 571468946 /nfs/dbraw/zinc/46/89/46/571468946.db2.gz DFRJGKHVNMMOHG-PHBQLMGTSA-N 0 0 651.594 6.629 50 30 KKEARN O=C(/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)Nc1ccc(OC(=O)/C=C/c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1 ZINC000150386618 571469328 /nfs/dbraw/zinc/46/93/28/571469328.db2.gz FNZPYMZHLLLQSB-LWCLPTCWSA-N 0 0 701.460 8.701 50 30 KKEARN N#C[C@@]12CN(c3ccc(Br)cc3)C[C@@](C#N)(C3=NCN(c4ccc(Br)cc4)CN3C1=S)[C@@H]2c1ccccc1Cl ZINC000150386597 571469351 /nfs/dbraw/zinc/46/93/51/571469351.db2.gz GHJHPWVBHGROSQ-OYFGVDPJSA-N 0 0 680.857 6.965 50 30 KKEARN C=CCO[C@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1=O ZINC000150388081 571470702 /nfs/dbraw/zinc/47/07/02/571470702.db2.gz BKVVBCGLSZCQGE-KJVZSNGZSA-N 0 0 775.899 6.414 50 30 KKEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1cc(I)cc(I)c1O)C1=C(CCCC1=O)O2 ZINC000150388753 571471121 /nfs/dbraw/zinc/47/11/21/571471121.db2.gz HLHKTZJIJCLUFG-NRFANRHFSA-N 0 0 638.243 5.686 50 30 KKEARN O=P(O/C(=C/Cl)c1ccccc1)(OC(C(F)(F)C(F)F)C(F)(F)C(F)F)OC(C(F)(F)C(F)F)C(F)(F)C(F)F ZINC000150389941 571472178 /nfs/dbraw/zinc/47/21/78/571472178.db2.gz ZVIKVBDSHJYEKD-SOFGYWHQSA-N 0 0 662.685 8.721 50 30 KKEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C[C@@]1(c1nc(-c2ccc(Cl)cc2)cs1)c1nc2ccccc2c(=O)[nH]1 ZINC000150390243 571472572 /nfs/dbraw/zinc/47/25/72/571472572.db2.gz RVVAMBDWWDFMES-HKBQPEDESA-N 0 0 628.566 7.106 50 30 KKEARN CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1Cl ZINC000150390441 571472731 /nfs/dbraw/zinc/47/27/31/571472731.db2.gz IUUYVCOGLVYYOX-UHFFFAOYSA-N 0 0 813.454 10.566 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000150390820 571473093 /nfs/dbraw/zinc/47/30/93/571473093.db2.gz NXIGNTIKYLOXQV-UHFFFAOYSA-N 0 0 638.529 6.423 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)ccc1Cl ZINC000150393284 571474911 /nfs/dbraw/zinc/47/49/11/571474911.db2.gz NKYOGKVHXUIEGV-MOPGFXCFSA-N 0 0 679.644 6.922 50 30 KKEARN COCc1c(Br)c(C)nc(OCC2=NN(C(C)=O)[C@@H](c3ccc(OCc4ccc(Cl)cc4Cl)cc3)O2)c1C#N ZINC000150397217 571476845 /nfs/dbraw/zinc/47/68/45/571476845.db2.gz BHRBBHYDDJOJBA-HHHXNRCGSA-N 0 0 634.314 6.326 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150400391 571478058 /nfs/dbraw/zinc/47/80/58/571478058.db2.gz JCHJDZDRCWEQQN-ICACTRECSA-N 0 0 648.550 6.589 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150401362 571478325 /nfs/dbraw/zinc/47/83/25/571478325.db2.gz YMVLZIVZGIELPG-GDJIYFAZSA-N 0 0 646.600 6.229 50 30 KKEARN O=C(Nc1cccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4cccc(NC(=O)c5ccc([N+](=O)[O-])cc5)c4)c(F)c3F)c(F)c2F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000150408493 571480947 /nfs/dbraw/zinc/48/09/47/571480947.db2.gz KOFWGQARGMRCDC-UHFFFAOYSA-N 0 0 810.566 10.372 50 30 KKEARN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150414715 571485317 /nfs/dbraw/zinc/48/53/17/571485317.db2.gz HUPNDBAUVHHWOY-UHFFFAOYSA-N 0 0 636.612 8.250 50 30 KKEARN COc1ccccc1/N=C1\S/C(=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1c1ccccc1OC ZINC000150420543 571487364 /nfs/dbraw/zinc/48/73/64/571487364.db2.gz LFYUACFVEMJODG-QIBWZKJESA-N 0 0 725.415 8.525 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422257 571488384 /nfs/dbraw/zinc/48/83/84/571488384.db2.gz LLZXFOFHTIFZMK-QMWVLESOSA-N 0 0 642.774 7.468 50 30 KKEARN C=CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000150425123 571489466 /nfs/dbraw/zinc/48/94/66/571489466.db2.gz RSCKMMYMGPOQGR-UHFFFAOYSA-N 0 0 658.953 7.256 50 30 KKEARN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=C(C(=O)c3ccccc3)C=CN12)c1ccc(Br)cc1 ZINC000150425018 571489520 /nfs/dbraw/zinc/48/95/20/571489520.db2.gz YDJOWIQXOSTFFE-POTDNYQPSA-N 0 0 622.302 6.134 50 30 KKEARN C[C@@H](Sc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000150426058 571490410 /nfs/dbraw/zinc/49/04/10/571490410.db2.gz NAIBSKDRQMNTJV-YEWAXSNQSA-N 0 0 686.859 8.533 50 30 KKEARN Cc1cc(Br)c(O)c(/C=N/c2cc(Cc3ccc(O)c(/N=C/c4cc(C)cc(Br)c4O)c3)ccc2O)c1 ZINC000150426487 571490732 /nfs/dbraw/zinc/49/07/32/571490732.db2.gz BTWLLALHUJLXDA-KBVBXEEASA-N 0 0 624.329 7.743 50 30 KKEARN O=C1/C(=N\NC(=S)Nc2ccc(Oc3ccccc3)cc2)c2cc(S(=O)(=O)N3CCOCC3)ccc2N1Cc1ccc(Cl)cc1 ZINC000150429643 571492949 /nfs/dbraw/zinc/49/29/49/571492949.db2.gz MIGJETBNRFLFSO-GXVXDJONSA-N 0 0 662.193 5.391 50 30 KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150431988 571493879 /nfs/dbraw/zinc/49/38/79/571493879.db2.gz WAUYJCKSLLJLNR-SATIQFTFSA-N 0 0 642.462 5.052 50 30 KKEARN O=C(N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)n1-c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150434262 571494630 /nfs/dbraw/zinc/49/46/30/571494630.db2.gz UVEZIODICLDLQU-HHHXNRCGSA-N 0 0 689.613 8.358 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435612 571495541 /nfs/dbraw/zinc/49/55/41/571495541.db2.gz RXPCOCGRINZVLD-QMDVFYPZSA-N 0 0 640.714 6.166 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435833 571495696 /nfs/dbraw/zinc/49/56/96/571495696.db2.gz WILFOJKZRHUJRB-KFLIVHAJSA-N 0 0 650.709 6.680 50 30 KKEARN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435839 571495710 /nfs/dbraw/zinc/49/57/10/571495710.db2.gz RWTAJAJKOCXJDZ-CFQDGGCTSA-N 0 0 664.736 7.070 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435656 571495878 /nfs/dbraw/zinc/49/58/78/571495878.db2.gz GSOBFAFMGBUVGA-XRDGOKTRSA-N 0 0 636.701 7.363 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2OCc2ccccc2)cc1OC ZINC000150436576 571496158 /nfs/dbraw/zinc/49/61/58/571496158.db2.gz ZTUKLNHJEHCEDX-HTOJEEBVSA-N 0 0 645.752 7.267 50 30 KKEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445492 571500410 /nfs/dbraw/zinc/50/04/10/571500410.db2.gz OTHZNQOVQVMABW-QMNXYOJKSA-N 0 0 635.767 7.332 50 30 KKEARN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150445469 571500517 /nfs/dbraw/zinc/50/05/17/571500517.db2.gz XTVCFUUUUOBNOQ-AHPONGEQSA-N 0 0 644.746 7.060 50 30 KKEARN COc1ccc(S(=O)(=O)OC[C@@]2(C)[C@H]3CC[C@@H](C)[C@@]4(CC[C@@]5(CCOC5)O4)[C@@]3(C)CC[C@@H]2OS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000150450266 571502426 /nfs/dbraw/zinc/50/24/26/571502426.db2.gz KLLASXMLVKAYIW-KZTUQWDHSA-N 0 0 678.866 5.744 50 30 biogenic KKEARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3C=C(C(=O)c4ccccc4)C=CN23)cc1Br ZINC000150450741 571502613 /nfs/dbraw/zinc/50/26/13/571502613.db2.gz WAUYJCKSLLJLNR-VWEWBFCZSA-N 0 0 642.462 5.052 50 30 KKEARN CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000150456467 571504475 /nfs/dbraw/zinc/50/44/75/571504475.db2.gz ZYHCKQCFPXWTBE-VEZPTTSMSA-N 0 0 661.519 10.115 50 30 KKEARN CC[C@H](C)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150460105 571505877 /nfs/dbraw/zinc/50/58/77/571505877.db2.gz SGSWLRIBKAJXBL-INIZCTEOSA-N 0 0 657.551 7.960 50 30 KKEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461229 571506367 /nfs/dbraw/zinc/50/63/67/571506367.db2.gz DDNMCDZVBBTUFJ-NNZNMFTDSA-N 0 0 633.795 8.057 50 30 KKEARN O=C(CSC(=Nc1ccccc1F)NNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1 ZINC000150462138 571506562 /nfs/dbraw/zinc/50/65/62/571506562.db2.gz GLBKHHAXBAIMSH-UHFFFAOYSA-N 0 0 644.559 8.629 50 30 KKEARN C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150463235 571506947 /nfs/dbraw/zinc/50/69/47/571506947.db2.gz GHNPEMMNGSCERA-UHFFFAOYSA-N 0 0 635.536 7.219 50 30 KKEARN Cc1ccc(-c2oc(N(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000150465962 571507794 /nfs/dbraw/zinc/50/77/94/571507794.db2.gz GEWDAOCPRDVCKY-UHFFFAOYSA-N 0 0 655.450 8.713 50 30 KKEARN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466093 571507835 /nfs/dbraw/zinc/50/78/35/571507835.db2.gz LBDPJTIUJPUCTP-NBXYUPGTSA-N 0 0 666.752 6.722 50 30 KKEARN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc1I ZINC000150481603 571512820 /nfs/dbraw/zinc/51/28/20/571512820.db2.gz XCTRDSDCLNGCQB-XXMKCSCWSA-N 0 0 734.422 6.154 50 30 KKEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@H]3c2cc(OC)c(OC)cc2Br)cc1OC ZINC000150483194 571514009 /nfs/dbraw/zinc/51/40/09/571514009.db2.gz AZVRWLNYYROJON-ULKXQASOSA-N 0 0 678.576 6.467 50 30 KKEARN COc1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)n2)c1 ZINC000150484366 571514976 /nfs/dbraw/zinc/51/49/76/571514976.db2.gz UIGAJGWZLZMXID-NBRGKURFSA-N 0 0 669.750 9.392 50 30 KKEARN Nc1c(C(=O)Nc2ccc(C(=O)/C=C/c3cccs3)cc2)sc2nc(-c3cccc4ccccc43)cc(-c3cccc(F)c3)c12 ZINC000150485045 571515603 /nfs/dbraw/zinc/51/56/03/571515603.db2.gz WLPUWXHYWLAWRB-ISLYRVAYSA-N 0 0 625.750 9.715 50 30 KKEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000150490695 571517195 /nfs/dbraw/zinc/51/71/95/571517195.db2.gz XPHYZVWDHUJBLW-UHFFFAOYSA-N 0 0 646.909 5.980 50 30 KKEARN CCCCCOP(=O)(OCCCCC)[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000150494387 571517531 /nfs/dbraw/zinc/51/75/31/571517531.db2.gz TUAQDOXYNBEZFD-SANMLTNESA-N 0 0 632.941 7.553 50 30 KKEARN CCOc1cc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)c2ccccc2)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000150508798 571519460 /nfs/dbraw/zinc/51/94/60/571519460.db2.gz LIXWQIXQIJVAOJ-LJAQVGFWSA-N 0 0 712.891 8.656 50 30 KKEARN CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc(Br)c1O ZINC000150509464 571519543 /nfs/dbraw/zinc/51/95/43/571519543.db2.gz XHSQOFXPJDAERL-UGDMGKLASA-N 0 0 648.550 6.676 50 30 KKEARN CCCCCCCc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(CCCCCC)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000150511372 571519802 /nfs/dbraw/zinc/51/98/02/571519802.db2.gz KRDJTDSNHPHKBO-RMLRFSFXSA-N 0 0 654.851 10.002 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)ccc1OC(C)=O ZINC000150521593 571520148 /nfs/dbraw/zinc/52/01/48/571520148.db2.gz HBMNNYDGLOJVEF-JXSYCYSGSA-N 0 0 641.717 6.012 50 30 KKEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1C ZINC000150606723 571522632 /nfs/dbraw/zinc/52/26/32/571522632.db2.gz KZPBWTRQWVHPPQ-LEWFHKMSSA-N 0 0 704.805 5.458 50 30 KKEARN CCOc1cc(/C=C2\S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000150637977 571524412 /nfs/dbraw/zinc/52/44/12/571524412.db2.gz COJDTLNCQROXRO-JJFYIABZSA-N 0 0 657.395 6.273 50 30 KKEARN CCCCCCCCCC[C@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000150639883 571524623 /nfs/dbraw/zinc/52/46/23/571524623.db2.gz CRIULWWTGYTBNW-BHVANESWSA-N 0 0 693.262 9.577 50 30 KKEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000150641472 571524635 /nfs/dbraw/zinc/52/46/35/571524635.db2.gz OHTDDMXWVUOEIO-NTNOMAAHSA-N 0 0 677.739 5.133 50 30 KKEARN O=C1N/C(=N\c2cccc(/N=C3/NC(=O)/C(=C(\c4ccccc4)c4ccc(Br)cc4)S3)c2)S/C1=C(/c1ccccc1)c1ccc(Br)cc1 ZINC000150654622 571526440 /nfs/dbraw/zinc/52/64/40/571526440.db2.gz RXKZEZSPYOPRFA-WANSBIPISA-N 0 0 792.578 9.832 50 30 KKEARN N=C1O[C@H](c2ccc([C@@H]3OC(=N)C(N=Nc4ccccc4)=C3NNc3ccccc3)cc2)C(NNc2ccccc2)=C1N=Nc1ccccc1 ZINC000150661528 571527397 /nfs/dbraw/zinc/52/73/97/571527397.db2.gz HCBZHEUGOSKSSC-OHGFDCTLSA-N 0 0 660.742 7.656 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000150662672 571527848 /nfs/dbraw/zinc/52/78/48/571527848.db2.gz WPXBYZPPNWYIEK-BIYCFNCWSA-N 0 0 669.096 6.895 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000150662670 571527853 /nfs/dbraw/zinc/52/78/53/571527853.db2.gz WPXBYZPPNWYIEK-KJYTXNCISA-N 0 0 669.096 6.895 50 30 KKEARN COc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000150663618 571528187 /nfs/dbraw/zinc/52/81/87/571528187.db2.gz IBRLLGOPUKNUJG-VPUKRXIYSA-N 0 0 632.261 5.397 50 30 KKEARN C=C[C@@H](OCc1ccc(OC)cc1)[C@]1([C@@H]2[C@@H](C)C(=O)[C@H](OCOC)[C@@H]3CC[C@@]4(O[C@@H]4[C@H]2S(=O)(=O)c2ccccc2)C3(C)C)COC(C)(C)O1 ZINC000150663713 571528316 /nfs/dbraw/zinc/52/83/16/571528316.db2.gz IIMNSQDIEBQEAY-MAMUHIKNSA-N 0 0 698.875 5.529 50 30 KKEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)ccc1Cl ZINC000150664040 571528425 /nfs/dbraw/zinc/52/84/25/571528425.db2.gz NKYOGKVHXUIEGV-RBUKOAKNSA-N 0 0 679.644 6.922 50 30 KKEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccc([N+](=O)[O-])c(NCc5ccccc5)c4)CC3)C2=O)cc1Br ZINC000162787020 571532518 /nfs/dbraw/zinc/53/25/18/571532518.db2.gz MWALJONHOAQMBS-HIELXXDYSA-N 0 0 639.554 6.525 50 30 KKEARN N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)N2c3ccc(Cl)cc3C=C[C@H]21 ZINC000169620122 571554266 /nfs/dbraw/zinc/55/42/66/571554266.db2.gz FTHLFQTXYHAVLJ-UUUZGBMFSA-N 0 0 500.067 6.588 50 30 KKEARN C=CCN1C(=O)N[C@H](c2cccc(Oc3ccccc3)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678994 571556052 /nfs/dbraw/zinc/55/60/52/571556052.db2.gz LCFMFXYXKXRSNY-MUAVYFROSA-N 0 0 589.737 5.063 50 30 KKEARN CCOc1cc([C@@H]2C(C(=O)O[C@@H](C)CC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1OC(C)=O ZINC000169682891 571557928 /nfs/dbraw/zinc/55/79/28/571557928.db2.gz OFYFKDBIJRFJOG-SYENHDJVSA-N 0 0 547.648 5.723 50 30 KKEARN CCCCCCCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2nc3c(nc12)c(C(=O)OCCCCCCC)nn3-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169712069 571559156 /nfs/dbraw/zinc/55/91/56/571559156.db2.gz WHXCASISRYQNHC-UHFFFAOYSA-N 0 0 776.720 7.042 50 30 KKEARN CCOC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795621 571560743 /nfs/dbraw/zinc/56/07/43/571560743.db2.gz XYGOQNSELKBBSL-QTSITTDLSA-N 0 0 690.143 7.260 50 30 KKEARN O=C([C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000169795607 571560758 /nfs/dbraw/zinc/56/07/58/571560758.db2.gz NNBQJBPSZUKMBM-HRFVKAFMSA-N 0 0 598.074 6.626 50 30 KKEARN COc1ccc(-c2ccc(OC(=O)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000198696092 571568399 /nfs/dbraw/zinc/56/83/99/571568399.db2.gz YVFXCNMSTLXAQB-UHFFFAOYSA-N 0 0 579.284 7.108 50 30 KKEARN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(O)cc1 ZINC000198696551 571568558 /nfs/dbraw/zinc/56/85/58/571568558.db2.gz DPJROFCGRBHRGQ-UHFFFAOYSA-N 0 0 520.188 5.923 50 30 KKEARN Cc1sc(-c2ccncc2)nc1C(=O)/C=C/c1ccc(/C=C/C(=O)c2nc(-c3ccncc3)sc2C)cc1 ZINC000198723311 571568735 /nfs/dbraw/zinc/56/87/35/571568735.db2.gz RABOMVDALUPHLI-FIFLTTCUSA-N 0 0 534.666 7.133 50 30 KKEARN N/N=C(\C(=O)Nc1ccc(Br)cc1)[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000198725540 571568816 /nfs/dbraw/zinc/56/88/16/571568816.db2.gz GCZZOGKHQHTLAU-DIGUNXMCSA-N 0 0 561.219 5.420 50 30 KKEARN COc1cc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc4ncccc43)c2C#N)cc(OC)c1OC ZINC000215676083 571584711 /nfs/dbraw/zinc/58/47/11/571584711.db2.gz PWHFYVDIJGCODY-UHFFFAOYSA-N 0 0 562.651 6.592 50 30 KKEARN N#Cc1ccc(-c2cccc(Cl)c2)nc1SCC(=O)OC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000215748510 571585878 /nfs/dbraw/zinc/58/58/78/571585878.db2.gz KIYFTNZLXLFMEC-UHFFFAOYSA-N 0 0 507.015 5.605 50 30 KKEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(OCCc5ccc6c(c5)CCO6)cc3)CC(=O)O4)C2=O)c1OC ZINC000217969918 571602749 /nfs/dbraw/zinc/60/27/49/571602749.db2.gz WHNZMUJENNPELC-XTYFKDDUSA-N 0 0 590.628 6.317 50 30 biogenic KKEARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000217972483 571603055 /nfs/dbraw/zinc/60/30/55/571603055.db2.gz URLBXFGVRDOHHL-PFQJNYNCSA-N 0 0 519.553 5.769 50 30 biogenic KKEARN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)cc1 ZINC000218066010 571603200 /nfs/dbraw/zinc/60/32/00/571603200.db2.gz BYSCBPAAVWUCCU-UAWDSHSBSA-N 0 0 608.643 6.400 50 30 biogenic KKEARN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)cc1 ZINC000218066097 571603278 /nfs/dbraw/zinc/60/32/78/571603278.db2.gz BYSCBPAAVWUCCU-KAECXJSPSA-N 0 0 608.643 6.400 50 30 biogenic KKEARN CCCCn1c(-c2ccccc2)c(/C(=N/Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c2cc(OC)c3ccccc3c21 ZINC000261490839 572109657 /nfs/dbraw/zinc/10/96/57/572109657.db2.gz HXEMJXGKWIDAPF-NFSLGCCLSA-N 0 0 630.726 9.631 50 30 KKEARN CC(C)(C)[N+]([O-])=C[C@@](/C=N/Cc1ccccc1)([C@@](C=[N+]([O-])C(C)(C)C)(/C=N/Cc1ccccc1)S(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C ZINC000261493047 572111457 /nfs/dbraw/zinc/11/14/57/572111457.db2.gz YZDIWCNDRRXGJB-ACUAKOBGSA-N 0 0 702.984 6.192 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C2=O)cc1 ZINC000263585024 572116505 /nfs/dbraw/zinc/11/65/05/572116505.db2.gz DHRJAOLKAAPTKJ-YMCFUUGVSA-N 0 0 533.536 5.504 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5cc(C(=O)OC)cc(C(=O)OC)c5)o3)CC(=O)O4)C2=O)cc1 ZINC000263585641 572119171 /nfs/dbraw/zinc/11/91/71/572119171.db2.gz KXXYVPGXBXEKTB-KVURCKEDSA-N 0 0 608.555 5.364 50 30 KKEARN CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2oc(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)c2O)cc1 ZINC000263586047 572121523 /nfs/dbraw/zinc/12/15/23/572121523.db2.gz PEXWYUVQCVRWNA-LJAQVGFWSA-N 0 0 607.744 6.355 50 30 KKEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccccc3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1 ZINC000263586436 572122943 /nfs/dbraw/zinc/12/29/43/572122943.db2.gz ULPUUULHZVPPMY-SIBAOGJBSA-N 0 0 576.601 6.161 50 30 KKEARN COc1ccc2c(c1)c(C=C1Oc3c(ccc4c3[C@H](c3cc5ccc(OC)cc5[nH]c3=O)CC(=O)O4)C1=O)cn2C ZINC000263586580 572124226 /nfs/dbraw/zinc/12/42/26/572124226.db2.gz VXLHQCWXPOGDNK-PYGJLAGHSA-N 0 0 548.551 5.507 50 30 KKEARN COc1c2c(c(Br)c3c1C=C(C(=O)c1cccc(NC(=O)c4c(F)cccc4F)c1)N(C)CC3)OCO2 ZINC000263587542 572125922 /nfs/dbraw/zinc/12/59/22/572125922.db2.gz IBXSMTMNWXWARU-UHFFFAOYSA-N 0 0 571.374 5.429 50 30 KKEARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C4C(=O)CC(C)(C)CC4=Nc4nc5ccccc5n43)cc21 ZINC000226073832 572127401 /nfs/dbraw/zinc/12/74/01/572127401.db2.gz FISZGMLXLXEGJB-GHRAFVERSA-N 0 0 530.716 7.987 50 30 KKEARN N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccc(O)cc4)cc(-c4ccc(Br)cc4)n3)cc21 ZINC000299804376 572138561 /nfs/dbraw/zinc/13/85/61/572138561.db2.gz YLCYUHSTTCRRCS-UHFFFAOYSA-N 0 0 526.390 6.190 50 30 KKEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)c(Nc4ccccc4Cl)nn32)cc1 ZINC000226760764 572140585 /nfs/dbraw/zinc/14/05/85/572140585.db2.gz CYHCKTLBBCMZHQ-NDEPHWFRSA-N 0 0 568.077 7.199 50 30 KKEARN N#C[C@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000226877084 572144447 /nfs/dbraw/zinc/14/44/47/572144447.db2.gz PNWGDFJSFHZKND-XWGVYQGASA-N 0 0 570.472 5.349 50 30 KKEARN C=CCn1c2nc3ccccc3nc2c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000334158559 572153497 /nfs/dbraw/zinc/15/34/97/572153497.db2.gz VGHDJIAHDBRIHC-UHFFFAOYSA-N 0 0 517.010 5.191 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229604194 572155855 /nfs/dbraw/zinc/15/58/55/572155855.db2.gz VXPJRFYCQQVTRA-XMFJDCMESA-N 0 0 570.620 6.372 50 30 KKEARN C=CCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229611261 572156335 /nfs/dbraw/zinc/15/63/35/572156335.db2.gz WUPCBLURMQWBCY-XMFJDCMESA-N 0 0 587.075 6.887 50 30 KKEARN C=CCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229610642 572156387 /nfs/dbraw/zinc/15/63/87/572156387.db2.gz OHZSSIAJTNZMLE-XMFJDCMESA-N 0 0 621.520 7.540 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229631316 572158257 /nfs/dbraw/zinc/15/82/57/572158257.db2.gz VQEHAOYSKJJRBZ-XMFJDCMESA-N 0 0 570.620 6.372 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(C)cc2)N2C=Cc3ccccc3[C@@H]2[C@@]12c1ccccc1NC2=O ZINC000229633964 572158509 /nfs/dbraw/zinc/15/85/09/572158509.db2.gz PYFVJVCUVRDFJE-JWXXLELASA-N 0 0 566.657 6.542 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000229971252 572175496 /nfs/dbraw/zinc/17/54/96/572175496.db2.gz ZACVYXWOPHVPDR-KSNOWIBYSA-N 0 0 558.458 5.716 50 30 KKEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OCC)[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000229971514 572175933 /nfs/dbraw/zinc/17/59/33/572175933.db2.gz CBAIXGULIRHKSO-KSNOWIBYSA-N 0 0 557.565 5.428 50 30 KKEARN Cc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2(C#N)C#N)cc1 ZINC000230009201 572178348 /nfs/dbraw/zinc/17/83/48/572178348.db2.gz WCIXCLURGHTUOE-AIPQGOBWSA-N 0 0 510.637 6.995 50 30 KKEARN CCOC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccc1F ZINC000230027349 572180148 /nfs/dbraw/zinc/18/01/48/572180148.db2.gz JSLFCUFWBINBPF-MWVDVNALSA-N 0 0 602.634 5.501 50 30 KKEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccc(I)c1 ZINC000230050443 572181729 /nfs/dbraw/zinc/18/17/29/572181729.db2.gz QPZMWZRJXBVCBG-GVAUOCQISA-N 0 0 527.365 5.575 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3cccc(OC)c3)C(C#N)(C#N)[C@@H]3C=Cc4cc(Br)ccc4N32)cc1 ZINC000230169710 572184510 /nfs/dbraw/zinc/18/45/10/572184510.db2.gz LLGXBIAYHQILED-QKDODKLFSA-N 0 0 540.417 5.751 50 30 KKEARN COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)c(Br)c3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000230198035 572185052 /nfs/dbraw/zinc/18/50/52/572185052.db2.gz XFUYSTGEOAJZDY-QKDODKLFSA-N 0 0 540.417 5.751 50 30 KKEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000239164919 572191049 /nfs/dbraw/zinc/19/10/49/572191049.db2.gz NECKDIUOBMCBCN-LCAJTWGOSA-N 0 0 540.454 5.867 50 30 KKEARN COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC[C@H]1CCCO1)[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000239165286 572191131 /nfs/dbraw/zinc/19/11/31/572191131.db2.gz NVAYIMNXZLAEQS-UFLBVARNSA-N 0 0 598.490 5.256 50 30 KKEARN COc1cc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)ccc1OCc1cccc(C)c1 ZINC000239203482 572191930 /nfs/dbraw/zinc/19/19/30/572191930.db2.gz SLGQCMTVVDWISU-UMSFTDKQSA-N 0 0 604.728 5.882 50 30 KKEARN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000239433746 572195928 /nfs/dbraw/zinc/19/59/28/572195928.db2.gz YKCYCQSFKWWXPA-HKAUVNTISA-N 0 0 507.715 6.842 50 30 KKEARN CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2Cl)C[C@](O)(c2ccc(Br)cc2)[C@H](C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000245229286 572206697 /nfs/dbraw/zinc/20/66/97/572206697.db2.gz SNZKXROYLGSZTB-OJVQTWHJSA-N 0 0 825.208 10.556 50 30 KKEARN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(C[C@@H]4C(=O)O[C@@H]5C[C@]6(C)CCCC(=C)[C@@H]6C[C@H]45)OC(C)=O)[C@H]3C[C@@H]12 ZINC000245237943 572211432 /nfs/dbraw/zinc/21/14/32/572211432.db2.gz MCCXNEZASUGBKE-AZYJRBHSSA-N 0 0 539.713 5.395 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1COc1ccc(F)cc1 ZINC000245238719 572212332 /nfs/dbraw/zinc/21/23/32/572212332.db2.gz ACZOJDSSONXVNU-RZHSECLFSA-N 0 0 526.652 7.450 50 30 KKEARN CC(=O)C1=C(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]12 ZINC000245247560 572220665 /nfs/dbraw/zinc/22/06/65/572220665.db2.gz WBJBIUBQWVNGAH-RARHLWAMSA-N 0 0 644.577 7.127 50 30 KKEARN CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@H]5C[C@@](C)(C(=O)N6CCOCC6)CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O ZINC000245297267 572226632 /nfs/dbraw/zinc/22/66/32/572226632.db2.gz SJUQBTKRFGXBGO-BJFAGWAESA-N 0 0 539.801 6.187 50 30 KKEARN COc1ccc(CCC(=O)N[C@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000245310397 572228242 /nfs/dbraw/zinc/22/82/42/572228242.db2.gz IWLZYVMXMDAYFU-FFMUDUJVSA-N 0 0 534.619 5.355 50 30 KKEARN CCCCOc1ccc(/C=C2\C[C@@H](c3ccccc3)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000245311310 572229460 /nfs/dbraw/zinc/22/94/60/572229460.db2.gz MZYUWZLWIYETAO-OBKYEQMJSA-N 0 0 582.781 9.456 50 30 KKEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@H]4C(F)(F)F)sc2C1 ZINC000245380803 572240535 /nfs/dbraw/zinc/24/05/35/572240535.db2.gz MXHYGXUGTTZXIA-DUXSXAKTSA-N 0 0 517.577 6.473 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000247820973 572245684 /nfs/dbraw/zinc/24/56/84/572245684.db2.gz HWFMFJUGIBSUDH-INXMUBLWSA-N 0 0 603.469 5.409 50 30 KKEARN COc1cc(C2=NO[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]23)ccc1OCc1ccccc1 ZINC000248121197 572254320 /nfs/dbraw/zinc/25/43/20/572254320.db2.gz BCHAIUYJSRUPKR-QNYCAIDBSA-N 0 0 579.678 5.261 50 30 KKEARN C=CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccc(C)cc2)N2C=Cc3ccccc3[C@H]2[C@@]12c1ccccc1NC2=O ZINC000248162871 572256102 /nfs/dbraw/zinc/25/61/02/572256102.db2.gz PYFVJVCUVRDFJE-BRQNREJHSA-N 0 0 566.657 6.542 50 30 KKEARN COC(=O)[C@@]1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(OC)c(Br)c2)[C@H]1c1ccc(OC)cc1 ZINC000248177522 572256403 /nfs/dbraw/zinc/25/64/03/572256403.db2.gz BCYPQFYUIWGDKQ-KWWFCQITSA-N 0 0 573.443 5.400 50 30 KKEARN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000248190167 572256489 /nfs/dbraw/zinc/25/64/89/572256489.db2.gz KHTBQXMEHFNCNM-DFYDWHIGSA-N 0 0 512.694 6.726 50 30 KKEARN CCCCOc1ccc(/C=C2\C[C@@H](C(C)(C)C)C/C(=C/c3ccc(OCCCC)c(OCC)c3)C2=O)cc1OCC ZINC000249997313 572258924 /nfs/dbraw/zinc/25/89/24/572258924.db2.gz GQGVKFIPCCLTOB-CXPSBYOHSA-N 0 0 562.791 9.334 50 30 KKEARN O=C1/C(=C/c2cccc(Br)c2)C[C@H](c2ccccc2)C/C1=C/c1cccc(Br)c1 ZINC000250798415 572259239 /nfs/dbraw/zinc/25/92/39/572259239.db2.gz CMRRQHMHZXATJV-DRCHMOQISA-N 0 0 508.253 7.825 50 30 KKEARN CC(C)(C)[C@@H]1C/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000252337705 572260146 /nfs/dbraw/zinc/26/01/46/572260146.db2.gz QVLJXPGJHBFUJB-RQFMXNFXSA-N 0 0 542.719 9.337 50 30 KKEARN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1c(F)c(F)cc(F)c1F ZINC000252427648 572260385 /nfs/dbraw/zinc/26/03/85/572260385.db2.gz AYBWPKYDULKECL-BDDZUHPXSA-N 0 0 580.622 7.867 50 30 KKEARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)N6CCCCCC6)CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000252428100 572260486 /nfs/dbraw/zinc/26/04/86/572260486.db2.gz PWBAWFYUOJVDSJ-HZMWODFTSA-N 0 0 593.893 8.301 50 30 KKEARN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/NC(=S)Nc5ccc(F)cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252428416 572260536 /nfs/dbraw/zinc/26/05/36/572260536.db2.gz CULLTSOLLUCJLH-SZJJKXBLSA-N 0 0 551.860 9.510 50 30 KKEARN Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CN2CCCC[C@H]2c2cccnc2)cc1 ZINC000252430681 572260705 /nfs/dbraw/zinc/26/07/05/572260705.db2.gz DFVFJGJCWKJBRM-UVMMSNCQSA-N 0 0 534.704 6.760 50 30 KKEARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Nc1ccccc1N=Cc1c(O)ccc2ccccc21 ZINC000252438311 572260861 /nfs/dbraw/zinc/26/08/61/572260861.db2.gz WYBOOCFNYIDSEO-UHFFFAOYSA-N 0 0 615.483 7.512 50 30 KKEARN COc1ccc(C=NN=C2CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1COc1ccc(F)cc1 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PALADLXIJQVTKU-HYNSQCECSA-N 0 0 505.434 5.497 50 30 KKEARN CCc1ccccc1N=C1S/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)N1c1ccccc1CC ZINC000252624052 572270151 /nfs/dbraw/zinc/27/01/51/572270151.db2.gz PFESRDYXFDPHQL-YDUKIQQBSA-N 0 0 502.636 6.646 50 30 KKEARN Cc1cccc(N=CC23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)c1C ZINC000252624486 572270259 /nfs/dbraw/zinc/27/02/59/572270259.db2.gz POTIXKPOTCAOFF-CWNGSANTSA-N 0 0 527.580 6.165 50 30 KKEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000252624704 572270265 /nfs/dbraw/zinc/27/02/65/572270265.db2.gz PTHOHUZPYGHHAJ-UHFFFAOYSA-N 0 0 559.715 5.416 50 30 KKEARN C=CCOc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CCC)C2=O)cc1OC ZINC000252625191 572270441 /nfs/dbraw/zinc/27/04/41/572270441.db2.gz QFAJARKGNDAVOX-LLLXPECQSA-N 0 0 564.445 5.887 50 30 KKEARN C=CCOc1c(Br)cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OCC ZINC000252626628 572270620 /nfs/dbraw/zinc/27/06/20/572270620.db2.gz RCIIDGWWPSPYFP-MPXGMWJOSA-N 0 0 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